Abl 1b isoform wild type SH3-SH2-KD (aa 83-534) in complex with imatinib
Authors
Paladini, J., Maier, A., Habazettl, J.M., Hertel, I., Sonti, R., Grzesiek, S.
Assembly
SH3SH2KD(83-534)
Entity
1. SH3SH2KD(83-534), entity 1 (polymer, Thiol state: all free), 454 monomers, 51695.93 Da Detail

GPNLFVALYD FVASGDNTLS ITKGEKLRVL GYNHNGEWCE AQTKNGQGWV PSNYITPVNS LEKHSWYHGP VSRNAAEYLL SSGINGSFLV RESESSPGQR SISLRYEGRV YHYRINTASD GKLYVSSESR FNTLAELVHH HSTVADGLIT TLHYPAPKRN KPTVYGVSPN YDKWEMERTD ITMKHKLGGG QYGEVYEGVW KKYSLTVAVK TLKEDTMEVE EFLKEAAVMK EIKHPNLVQL LGVCTREPPF YIITEFMTYG NLLDYLRECN RQEVNAVVLL YMATQISSAM EYLEKKNFIH RDLAARNCLV GENHLVKVAD FGLSRLMTGD TYTAHAGAKF PIKWTAPESL AYNKFSIKSD VWAFGVLLWE IATYGMSPYP GIDLSQVYEL LEKDYRMERP EGCPEKVYEL MRACWQWNPS DRPSFAEIHQ AFETMFQESS ISDEVEKELG KQGV


2. SH3SH2KD(83-534), entity STI (non-polymer), 493.603 Da
Total weight
52189.53 Da
Max. entity weight
51695.93 Da
Source organism
Homo sapiens
Exptl. method
solution NMR
Data set
assigned_chemical_shifts
Release date
2024-02-25
Citation
The molecular basis of Abelson kinase regulation by its aI-helix
Paladini, J., Maier, A., Habazettl, J.M., Hertel, I., Sonti, R., Grzesiek, S.
eLife (2023), DOI https://doi.org/10.7554/eLife.92324.1
Keywords Abelson tyrosine kinase, cancer, chronic myelogenous leukemia, allosteric activation, aI-helix, asciminib, NMR
 

Abl 1b isoform wild type SH3-SH2-KD (aa 83-534) in complex with PD166326
Authors
Paladini, J., Maier, A., Habazettl, J.M., Hertel, I., Sonti, R., Grzesiek, S.
Assembly
SH3SH2KD(83-534) in complex with PD166326
Entity
1. SH3SH2KD(83-534) in complex with PD166326, entity 1 (polymer, Thiol state: all free), 454 monomers, 51695.93 Da Detail

GPNLFVALYD FVASGDNTLS ITKGEKLRVL GYNHNGEWCE AQTKNGQGWV PSNYITPVNS LEKHSWYHGP VSRNAAEYLL SSGINGSFLV RESESSPGQR SISLRYEGRV YHYRINTASD GKLYVSSESR FNTLAELVHH HSTVADGLIT TLHYPAPKRN KPTVYGVSPN YDKWEMERTD ITMKHKLGGG QYGEVYEGVW KKYSLTVAVK TLKEDTMEVE EFLKEAAVMK EIKHPNLVQL LGVCTREPPF YIITEFMTYG NLLDYLRECN RQEVNAVVLL YMATQISSAM EYLEKKNFIH RDLAARNCLV GENHLVKVAD FGLSRLMTGD TYTAHAGAKF PIKWTAPESL AYNKFSIKSD VWAFGVLLWE IATYGMSPYP GIDLSQVYEL LEKDYRMERP EGCPEKVYEL MRACWQWNPS DRPSFAEIHQ AFETMFQESS ISDEVEKELG KQGV


2. SH3SH2KD(83-534) in complex with PD166326, entity P16 (non-polymer), 427.283 Da
Total weight
52123.21 Da
Max. entity weight
51695.93 Da
Source organism
Homo sapiens
Exptl. method
solution NMR
Data set
assigned_chemical_shifts
Release date
2024-02-05
Citation
The molecular basis of Abelson kinase regulation by its aI-helix
Paladini, J., Maier, A., Habazettl, J.M., Hertel, I., Sonti, R., Grzesiek, S.
eLife (2023), DOI https://doi.org/10.7554/eLife.92324.1
Keywords Abelson tyrosine kinase, cancer, chronic myelogenous leukemia, allosteric activation, aI-helix, asciminib, NMR
 

Abl 1b isoform wild type SH3-SH2-KD (aa 83-534) in complex with GNF-5
Authors
Paladini, J., Maier, A., Habazettl, J.M., Hertel, I., Sonti, R., Grzesiek, S.
Assembly
SH3SH2KD(83-534) in complex with GNF-5
Entity
1. SH3SH2KD(83-534) in complex with GNF-5, entity 1 (polymer, Thiol state: all free), 454 monomers, 51695.93 Da Detail

GPNLFVALYD FVASGDNTLS ITKGEKLRVL GYNHNGEWCE AQTKNGQGWV PSNYITPVNS LEKHSWYHGP VSRNAAEYLL SSGINGSFLV RESESSPGQR SISLRYEGRV YHYRINTASD GKLYVSSESR FNTLAELVHH HSTVADGLIT TLHYPAPKRN KPTVYGVSPN YDKWEMERTD ITMKHKLGGG QYGEVYEGVW KKYSLTVAVK TLKEDTMEVE EFLKEAAVMK EIKHPNLVQL LGVCTREPPF YIITEFMTYG NLLDYLRECN RQEVNAVVLL YMATQISSAM EYLEKKNFIH RDLAARNCLV GENHLVKVAD FGLSRLMTGD TYTAHAGAKF PIKWTAPESL AYNKFSIKSD VWAFGVLLWE IATYGMSPYP GIDLSQVYEL LEKDYRMERP EGCPEKVYEL MRACWQWNPS DRPSFAEIHQ AFETMFQESS ISDEVEKELG KQGV


2. SH3SH2KD(83-534) in complex with GNF-5, entity 2 (non-polymer, Thiol state: not present), na Da
Formula weight
51695.93 Da
Source organism
Homo sapiens
Exptl. method
solution NMR
Data set
assigned_chemical_shifts
Release date
2024-02-04
Citation
The molecular basis of Abelson kinase regulation by its aI-helix
Paladini, J., Maier, A., Habazettl, J.M., Hertel, I., Sonti, R., Grzesiek, S.
eLife (2023), DOI https://doi.org/10.7554/eLife.92324.1
Keywords Abelson tyrosine kinase, cancer, chronic myelogenous leukemia, allosteric activation, aI-helix, asciminib, NMR
 

Abl 1b isoform E528K SH3-SH2-KD (aa 83-534) in complex with imatinib
Authors
Paladini, J., Maier, A., Habazettl, J.M., Hertel, I., Sonti, R., Grzesiek, S.
Assembly
E528K SH3SH2KD(83-534) in complex with imatinib
Entity
1. E528K SH3SH2KD(83-534) in complex with imatinib, entity 1 (polymer, Thiol state: all free), 454 monomers, 51694.99 Da Detail

GPNLFVALYD FVASGDNTLS ITKGEKLRVL GYNHNGEWCE AQTKNGQGWV PSNYITPVNS LEKHSWYHGP VSRNAAEYLL SSGINGSFLV RESESSPGQR SISLRYEGRV YHYRINTASD GKLYVSSESR FNTLAELVHH HSTVADGLIT TLHYPAPKRN KPTVYGVSPN YDKWEMERTD ITMKHKLGGG QYGEVYEGVW KKYSLTVAVK TLKEDTMEVE EFLKEAAVMK EIKHPNLVQL LGVCTREPPF YIITEFMTYG NLLDYLRECN RQEVNAVVLL YMATQISSAM EYLEKKNFIH RDLAARNCLV GENHLVKVAD FGLSRLMTGD TYTAHAGAKF PIKWTAPESL AYNKFSIKSD VWAFGVLLWE IATYGMSPYP GIDLSQVYEL LEKDYRMERP EGCPEKVYEL MRACWQWNPS DRPSFAEIHQ AFETMFQESS ISDEVEKKLG KQGV


2. E528K SH3SH2KD(83-534) in complex with imatinib, entity STI (non-polymer), 493.603 Da
Total weight
52188.59 Da
Max. entity weight
51694.99 Da
Source organism
Homo sapiens
Exptl. method
solution NMR
Data set
assigned_chemical_shifts
Release date
2024-02-04
Citation
The molecular basis of Abelson kinase regulation by its aI-helix
Paladini, J., Maier, A., Habazettl, J.M., Hertel, I., Sonti, R., Grzesiek, S.
eLife (2023), DOI https://doi.org/10.7554/eLife.92324.1
Keywords Abelson tyrosine kinase, cancer, chronic myelogenous leukemia, allosteric activation, aI-helix, asciminib, NMR
 

Abl 1b isoform E528K SH3-SH2-KD (aa 83-534) apo
Authors
Paladini, J., Maier, A., Habazettl, J.M., Hertel, I., Sonti, R., Grzesiek, S.
Assembly
E528K SH3SH2KD(83-534)
Entity
1. E528K SH3SH2KD(83-534) (polymer, Thiol state: all free), 454 monomers, 51694.99 Da Detail

GPNLFVALYD FVASGDNTLS ITKGEKLRVL GYNHNGEWCE AQTKNGQGWV PSNYITPVNS LEKHSWYHGP VSRNAAEYLL SSGINGSFLV RESESSPGQR SISLRYEGRV YHYRINTASD GKLYVSSESR FNTLAELVHH HSTVADGLIT TLHYPAPKRN KPTVYGVSPN YDKWEMERTD ITMKHKLGGG QYGEVYEGVW KKYSLTVAVK TLKEDTMEVE EFLKEAAVMK EIKHPNLVQL LGVCTREPPF YIITEFMTYG NLLDYLRECN RQEVNAVVLL YMATQISSAM EYLEKKNFIH RDLAARNCLV GENHLVKVAD FGLSRLMTGD TYTAHAGAKF PIKWTAPESL AYNKFSIKSD VWAFGVLLWE IATYGMSPYP GIDLSQVYEL LEKDYRMERP EGCPEKVYEL MRACWQWNPS DRPSFAEIHQ AFETMFQESS ISDEVEKKLG KQGV


Formula weight
51694.99 Da
Source organism
Homo sapiens
Exptl. method
solution NMR
Data set
assigned_chemical_shifts
Release date
2024-02-04
Citation
The molecular basis of Abelson kinase regulation by its aI-helix
Paladini, J., Maier, A., Habazettl, J.M., Hertel, I., Sonti, R., Grzesiek, S.
eLife (2023), DOI https://doi.org/10.7554/eLife.92324.1
Keywords Abelson tyrosine kinase, cancer, chronic myelogenous leukemia, allosteric activation, aI-helix, asciminib, NMR
 

Abl 1b isoform wild type SH3-SH2-KD (aa 83-517) in complex with imatinib
Authors
Paladini, J., Maier, A., Habazettl, J.M., Hertel, I., Sonti, R., Grzesiek, S.
Assembly
SH3SH2KD(83-517)
Entity
1. SH3SH2KD(83-517), entity 1 (polymer, Thiol state: all free), 437 monomers, 49880.00 Da Detail

GPNLFVALYD FVASGDNTLS ITKGEKLRVL GYNHNGEWCE AQTKNGQGWV PSNYITPVNS LEKHSWYHGP VSRNAAEYLL SSGINGSFLV RESESSPGQR SISLRYEGRV YHYRINTASD GKLYVSSESR FNTLAELVHH HSTVADGLIT TLHYPAPKRN KPTVYGVSPN YDKWEMERTD ITMKHKLGGG QYGEVYEGVW KKYSLTVAVK TLKEDTMEVE EFLKEAAVMK EIKHPNLVQL LGVCTREPPF YIITEFMTYG NLLDYLRECN RQEVNAVVLL YMATQISSAM EYLEKKNFIH RDLAARNCLV GENHLVKVAD FGLSRLMTGD TYTAHAGAKF PIKWTAPESL AYNKFSIKSD VWAFGVLLWE IATYGMSPYP GIDLSQVYEL LEKDYRMERP EGCPEKVYEL MRACWQWNPS DRPSFAEIHQ AFETMFQ


2. SH3SH2KD(83-517), entity STI (non-polymer), 493.603 Da
Total weight
50373.6 Da
Max. entity weight
49880.0 Da
Source organism
Homo sapiens
Exptl. method
solution NMR
Data set
assigned_chemical_shifts
Release date
2024-02-04
Citation
The molecular basis of Abelson kinase regulation by its aI-helix
Paladini, J., Maier, A., Habazettl, J.M., Hertel, I., Sonti, R., Grzesiek, S.
eLife (2023), DOI https://doi.org/10.7554/eLife.92324.1
Keywords Abelson tyrosine kinase, cancer, chronic myelogenous leukemia, allosteric activation, aI-helix, asciminib, NMR
 

Abl 1b isoform wild type SH3-SH2-KD (aa 83-517) apo
Authors
Paladini, J., Maier, A., Habazettl, J.M., Hertel, I., Sonti, R., Grzesiek, S.
Assembly
SH3SH2KD(83-517)
Entity
1. SH3SH2KD(83-517) (polymer, Thiol state: all free), 437 monomers, 49880.00 Da Detail

GPNLFVALYD FVASGDNTLS ITKGEKLRVL GYNHNGEWCE AQTKNGQGWV PSNYITPVNS LEKHSWYHGP VSRNAAEYLL SSGINGSFLV RESESSPGQR SISLRYEGRV YHYRINTASD GKLYVSSESR FNTLAELVHH HSTVADGLIT TLHYPAPKRN KPTVYGVSPN YDKWEMERTD ITMKHKLGGG QYGEVYEGVW KKYSLTVAVK TLKEDTMEVE EFLKEAAVMK EIKHPNLVQL LGVCTREPPF YIITEFMTYG NLLDYLRECN RQEVNAVVLL YMATQISSAM EYLEKKNFIH RDLAARNCLV GENHLVKVAD FGLSRLMTGD TYTAHAGAKF PIKWTAPESL AYNKFSIKSD VWAFGVLLWE IATYGMSPYP GIDLSQVYEL LEKDYRMERP EGCPEKVYEL MRACWQWNPS DRPSFAEIHQ AFETMFQ


Formula weight
49880.0 Da
Source organism
Homo sapiens
Exptl. method
solution NMR
Data set
assigned_chemical_shifts
Release date
2024-01-31
Citation
The molecular basis of Abelson kinase regulation by its aI-helix
Paladini, J., Maier, A., Habazettl, J.M., Hertel, I., Sonti, R., Grzesiek, S.
eLife (2023), DOI https://doi.org/10.7554/eLife.92324.1
Keywords Abelson tyrosine kinase, cancer, chronic myelogenous leukemia, allosteric activation, aI-helix, asciminib, NMR
 

Abl 1b isoform wild type SH3-SH2-KD (aa 83-519) in complex with imatinib
Authors
Paladini, J., Maier, A., Habazettl, J.M., Hertel, I., Sonti, R., Grzesiek, S.
Assembly
SH3SH2KD(83-519)
Entity
1. SH3SH2KD(83-519), entity 1 (polymer, Thiol state: all free), 439 monomers, 50160.24 Da Detail

GPNLFVALYD FVASGDNTLS ITKGEKLRVL GYNHNGEWCE AQTKNGQGWV PSNYITPVNS LEKHSWYHGP VSRNAAEYLL SSGINGSFLV RESESSPGQR SISLRYEGRV YHYRINTASD GKLYVSSESR FNTLAELVHH HSTVADGLIT TLHYPAPKRN KPTVYGVSPN YDKWEMERTD ITMKHKLGGG QYGEVYEGVW KKYSLTVAYK TLKEDTMEVE EFLKEAAVMK EIKHPNLVQL LGVCTREPPF YIITEFMTYG NLLDYLRECN RQEVNAVVLL YMATQISSAM EYLEKKNFIH RDLAARNCLV GENHLVKVAD FGLSRLMTGD TYTAHAGAKF PIKWTAPESL AYNKFSIKSD VWAFGVLLWE IATYGMSPYP GIDLSQVYEL LEKDYRMERP EGCPEKVYEL MRACWQWNPS DRPSFAEIHQ AFETMFQES


2. SH3SH2KD(83-519), entity STI (non-polymer), 493.603 Da
Total weight
50653.84 Da
Max. entity weight
50160.24 Da
Source organism
Homo sapiens
Exptl. method
solution NMR
Data set
assigned_chemical_shifts
Release date
2024-01-31
Citation
The molecular basis of Abelson kinase regulation by its aI-helix
Paladini, J., Maier, A., Habazettl, J.M., Hertel, I., Sonti, R., Grzesiek, S.
eLife (2023), DOI https://doi.org/10.7554/eLife.92324.1
Keywords Abelson tyrosine kinase, cancer, chronic myelogenous leukemia, allosteric activation, aI-helix, asciminib, NMR
 

Abl 1b isoform wild type SH3-SH2-KD (aa 83-519) apo
Authors
Paladini, J., Maier, A., Habazettl, J.M., Hertel, I., Sonti, R., Grzesiek, S.
Assembly
SH3SH2KD(83-519)
Entity
1. SH3SH2KD(83-519) (polymer, Thiol state: all free), 439 monomers, 50096.20 Da Detail

GPNLFVALYD FVASGDNTLS ITKGEKLRVL GYNHNGEWCE AQTKNGQGWV PSNYITPVNS LEKHSWYHGP VSRNAAEYLL SSGINGSFLV RESESSPGQR SISLRYEGRV YHYRINTASD GKLYVSSESR FNTLAELVHH HSTVADGLIT TLHYPAPKRN KPTVYGVSPN YDKWEMERTD ITMKHKLGGG QYGEVYEGVW KKYSLTVAVK TLKEDTMEVE EFLKEAAVMK EIKHPNLVQL LGVCTREPPF YIITEFMTYG NLLDYLRECN RQEVNAVVLL YMATQISSAM EYLEKKNFIH RDLAARNCLV GENHLVKVAD FGLSRLMTGD TYTAHAGAKF PIKWTAPESL AYNKFSIKSD VWAFGVLLWE IATYGMSPYP GIDLSQVYEL LEKDYRMERP EGCPEKVYEL MRACWQWNPS DRPSFAEIHQ AFETMFQES


Formula weight
50096.2 Da
Source organism
Homo sapiens
Exptl. method
solution NMR
Data set
assigned_chemical_shifts
Release date
2024-01-31
Citation
The molecular basis of Abelson kinase regulation by its aI-helix
Paladini, J., Maier, A., Habazettl, J.M., Hertel, I., Sonti, R., Grzesiek, S.
eLife (2023), DOI https://doi.org/10.7554/eLife.92324.1
Keywords Abelson tyrosine kinase, cancer, chronic myelogenous leukemia, allosteric activation, aI-helix, asciminib, NMR
 

Abl 1b isoform wild type SH3-SH2-KD (aa 83-534) in complex with asciminib
Authors
Paladini, J., Maier, A., Habazettl, J.M., Hertel, I., Sonti, R., Grzesiek, S.
Assembly
SH3SH2KD(83-534)+Asciminib
Entity
1. SH3SH2KD(83-534)+Asciminib, entity 1 (polymer, Thiol state: all free), 454 monomers, 51695.93 Da Detail

GPNLFVALYD FVASGDNTLS ITKGEKLRVL GYNHNGEWCE AQTKNGQGWV PSNYITPVNS LEKHSWYHGP VSRNAAEYLL SSGINGSFLV RESESSPGQR SISLRYEGRV YHYRINTASD GKLYVSSESR FNTLAELVHH HSTVADGLIT TLHYPAPKRN KPTVYGVSPN YDKWEMERTD ITMKHKLGGG QYGEVYEGVW KKYSLTVAVK TLKEDTMEVE EFLKEAAVMK EIKHPNLVQL LGVCTREPPF YIITEFMTYG NLLDYLRECN RQEVNAVVLL YMATQISSAM EYLEKKNFIH RDLAARNCLV GENHLVKVAD FGLSRLMTGD TYTAHAGAKF PIKWTAPESL AYNKFSIKSD VWAFGVLLWE IATYGMSPYP GIDLSQVYEL LEKDYRMERP EGCPEKVYEL MRACWQWNPS DRPSFAEIHQ AFETMFQESS ISDEVEKELG KQGV


2. SH3SH2KD(83-534)+Asciminib, entity AY7 (non-polymer), 449.838 Da
Total weight
52145.77 Da
Max. entity weight
51695.93 Da
Source organism
Homo sapiens
Exptl. method
solution NMR
Data set
assigned_chemical_shifts
Release date
2024-01-29
Citation
The molecular basis of Abelson kinase regulation by its aI-helix
Paladini, J., Maier, A., Habazettl, J.M., Hertel, I., Sonti, R., Grzesiek, S.
eLife (2023), DOI https://doi.org/10.7554/eLife.92324.1
Keywords Abelson tyrosine kinase, cancer, chronic myelogenous leukemia, allosteric activation, aI-helix, asciminib, NMR
 

Abl 1b isoform wild type SH3-SH2-KD (aa 83-534) apo
Authors
Paladini, J., Maier, A., Habazettl, J.M., Hertel, I., Sonti, R., Grzesiek, S.
Assembly
SH3SH2KD(83-534)
Entity
1. SH3SH2KD(83-534) (polymer, Thiol state: all free), 454 monomers, 51695.93 Da Detail

GPNLFVALYD FVASGDNTLS ITKGEKLRVL GYNHNGEWCE AQTKNGQGWV PSNYITPVNS LEKHSWYHGP VSRNAAEYLL SSGINGSFLV RESESSPGQR SISLRYEGRV YHYRINTASD GKLYVSSESR FNTLAELVHH HSTVADGLIT TLHYPAPKRN KPTVYGVSPN YDKWEMERTD ITMKHKLGGG QYGEVYEGVW KKYSLTVAVK TLKEDTMEVE EFLKEAAVMK EIKHPNLVQL LGVCTREPPF YIITEFMTYG NLLDYLRECN RQEVNAVVLL YMATQISSAM EYLEKKNFIH RDLAARNCLV GENHLVKVAD FGLSRLMTGD TYTAHAGAKF PIKWTAPESL AYNKFSIKSD VWAFGVLLWE IATYGMSPYP GIDLSQVYEL LEKDYRMERP EGCPEKVYEL MRACWQWNPS DRPSFAEIHQ AFETMFQESS ISDEVEKELG KQGV


Formula weight
51695.93 Da
Source organism
Homo sapiens
Exptl. method
solution NMR
Data set
assigned_chemical_shifts
Release date
2024-01-17
Citation
The molecular basis of Abelson kinase regulation by its aI-helix
Paladini, J., Maier, A., Habazettl, J.M., Hertel, I., Sonti, R., Grzesiek, S.
eLife (2023), DOI https://doi.org/10.7554/eLife.92324.1
Keywords Abelson tyrosine kinase, cancer, chronic myelogenous leukemia, allosteric activation, aI-helix, asciminib, NMR
 

Backbone chemical shift assignments of human ZNF706
Authors
Sahoo, Bikash R, Bardwell, James
Release date
2024-04-17
Backbone and sidechain 1H, 13C, 15N chemical shift assignments for the isolated human HtrA2-PDZ domain
Authors
Aspholm, Emelie, Burmann, Bjorn
Release date
2024-04-17
YearBMRB (US+JP)BMRB (US)BMRBj (JP)
199612201220
19976262
1998156156
1999227227
2000168168
20013232
2002118118
2003332332
2004390390
200548346320
200656050159
2007668563105
2008746562184
200966560758
20101055718337
201182077446
201281875068
201379974554
201477171457
201577068783
2016697594103
201771163477
201876369865
201974871137
202098889395
2021934830104
202271467638
202371567639
20242202191
Total17350157201630
YearBMRB (US+JP)BMRB (US)BMRBj (JP)Withdrawn (awd, obs, sa)
199512041204
19961616
19976262
19981631632
1999221221
2000196196
200133
20021181183
20033353353
20043893899
20055044861830
20065464875940
200769557611945
200873850623238
200966756010744
2010107472734759
20118437796447
20128227546850
20138367874943
20147386964242
20157767512555
20167696987138
201779367711641
20187766789828
20198257368930
202097486311169
20219098228760
20227586738527
202378167510644
2024252226269
Total17783158641919856