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2MFI
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BU of 2mfi by Molmil
Domain 1 of E. coli ribosomal protein S1
分子名称: 30S ribosomal protein S1
著者Giraud, P, Crechet, J, Bontems, F, Uzan, M, Sizun, C.
登録日2013-10-11
公開日2014-05-21
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Resonance assignment of the ribosome binding domain of E. coli ribosomal protein S1.
Biomol.Nmr Assign., 9, 2015
2MFL
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BU of 2mfl by Molmil
Domain 2 of E. coli ribosomal protein S1
分子名称: 30S ribosomal protein S1
著者Giraud, P, Crechet, J, Bontems, F, Uzan, M, Sizun, C.
登録日2013-10-12
公開日2014-05-21
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Resonance assignment of the ribosome binding domain of E. coli ribosomal protein S1.
Biomol.Nmr Assign., 9, 2015
2KHJ
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BU of 2khj by Molmil
NMR structure of the domain 6 of the E. coli ribosomal protein S1
分子名称: 30S ribosomal protein S1
著者Salah, P, Bisaglia, M, Aliprandi, P, Uzan, M, Sizun, C, Bontems, F.
登録日2009-04-07
公開日2009-10-20
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Probing the relationship between Gram-negative and Gram-positive S1 proteins by sequence analysis
Nucleic Acids Res., 37, 2009
2KHI
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BU of 2khi by Molmil
NMR structure of the domain 4 of the E. coli ribosomal protein S1
分子名称: 30S ribosomal protein S1
著者Salah, P, Bisaglia, M, Aliprandi, P, Uzan, M, Sizun, C, Bontems, F.
登録日2009-04-07
公開日2009-10-20
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Probing the relationship between Gram-negative and Gram-positive S1 proteins by sequence analysis
Nucleic Acids Res., 37, 2009
2HX6
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BU of 2hx6 by Molmil
Solution structure analysis of the phage T4 endoribonuclease RegB
分子名称: Ribonuclease
著者Odaert, B, Saida, F, Uzan, M, Bontems, F.
登録日2006-08-02
公開日2006-10-31
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Structural and functional studies of RegB, a new member of a family of sequence-specific ribonucleases involved in mRNA inactivation on the ribosome.
J.Biol.Chem., 282, 2007
4H1O
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BU of 4h1o by Molmil
Crystal structure of the tyrosine phosphatase SHP-2 with D61G mutation
分子名称: 1,2-ETHANEDIOL, Tyrosine-protein phosphatase non-receptor type 11
著者Qiu, W, Lin, A, Hutchinson, A, Romanov, V, Ruzanov, M, Thompson, C, Lam, K, Kisselman, G, Battaile, K, Chirgadze, N.Y.
登録日2012-09-11
公開日2013-09-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of the tyrosine phosphatase SHP-2 with D61G mutation
To be Published
4H34
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Crystal structure of the tyrosine phosphatase SHP-2 with Q506P mutation
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 11
著者Qiu, W, Lin, A, Hutchinson, A, Romanov, V, Ruzanov, M, Thompson, C, Lam, K, Kisselman, G, Battaile, K, Chirgadze, N.Y.
登録日2012-09-13
公開日2013-10-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of the tyrosine phosphatase SHP-2 with Q506P mutation
To be Published
7TRB
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BU of 7trb by Molmil
CRYSTAL STRUCTURE OF FARNESOID X-ACTIVATED RECEPTOR COMPLEXED WITH COMPOUND-32 AKA (1S,3S)-N-({4-[5-(2-FLUOROPR OPAN-2-YL)-1,2,4-OXADIAZOL-3-YL]BICYCLO[2.2.2]OCTAN-1-YL}M ETHYL)-3-HYDROXY-N-[4'-(2-HYDROXYPROPAN-2-YL)-[1,1'-BIPHEN YL]-3-YL]-3-(TRIFLUOROMETHYL)CYCLOBUTANE-1-CARBOXAMIDE
分子名称: (1s,3s)-N-({4-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]bicyclo[2.2.2]octan-1-yl}methyl)-3-hydroxy-N-[4'-(2-hydroxypropan-2-yl)[1,1'-biphenyl]-3-yl]-3-(trifluoromethyl)cyclobutane-1-carboxamide, Bile acid receptor, co-activator
著者Khan, J.A, Ruzanov, M.
登録日2022-01-28
公開日2022-06-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Discovery of BMS-986339, a Pharmacologically Differentiated Farnesoid X Receptor Agonist for the Treatment of Nonalcoholic Steatohepatitis.
J.Med.Chem., 65, 2022
4GWF
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BU of 4gwf by Molmil
Crystal structure of the tyrosine phosphatase SHP-2 with Y279C mutation
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Qiu, W, Lin, A, Hutchinson, A, Romanov, V, Ruzanov, M, Thompson, C, Lam, K, Kisselman, G, Battaile, K, Chirgadze, N.Y.
登録日2012-09-03
公開日2013-09-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of the tyrosine phosphatase SHP-2 with Y279C mutation
TO BE PUBLISHED
4NWF
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Crystal structure of the tyrosine phosphatase SHP-2 with N308D mutation
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 11
著者Qiu, W, Lin, A, Hutchinson, A, Romanov, V, Ruzanov, M, Thompson, C, Lam, K, Kisselman, G, Battalie, K, Chirgadze, N.Y.
登録日2013-12-06
公開日2014-12-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of the tyrosine phosphatase SHP-2 with N308D mutation
To be Published
3B7Y
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BU of 3b7y by Molmil
Crystal structure of the C2 Domain of the E3 Ubiquitin-Protein Ligase NEDD4
分子名称: CALCIUM ION, E3 ubiquitin-protein ligase NEDD4
著者Walker, J.R, Ruzanov, M, Butler-Cole, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2007-10-31
公開日2007-11-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献C2 Domain of the Human E3 Ubiquitin-Protein Ligase NEDD4.
To be Published
4NWG
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BU of 4nwg by Molmil
Crystal structure of the tyrosine phosphatase SHP-2 with E139D mutation
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, SULFATE ION, ...
著者Qiu, W, Lin, A, Hutchinson, A, Romanov, V, Ruzanov, M, Thompson, C, Lam, K, Kisselman, G, Battalie, K, Chirgadze, N.Y.
登録日2013-12-06
公開日2014-12-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal structure of the tyrosine phosphatase SHP-2 with E139D mutation
To be Published
7KEY
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BU of 7key by Molmil
Protein Tyrosine Phosphatase 1B, Apo
分子名称: ACETATE ION, MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1
著者Battaile, K.P, Chirgadze, Y, Ruzanov, M, Romanov, V, Lam, K, Gordon, R, Lin, A, Lam, R, Pai, E, Chirgadze, N.
登録日2020-10-13
公開日2022-01-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.771 Å)
主引用文献Signal transfer in human protein tyrosine phosphatase PTP1B from allosteric inhibitor P00058.
J.Biomol.Struct.Dyn., 2021
7KLX
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BU of 7klx by Molmil
Protein Tyrosine Phosphatase 1B with inhibitor
分子名称: 2-(2,5-dimethyl-1H-pyrrol-1-yl)-5-hydroxybenzoic acid, MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1
著者Battaile, K.P, Chirgadze, Y, Ruzanov, M, Romanov, V, Lam, K, Gordon, R, Lin, A, Lam, R, Pai, E, Chirgadze, N.
登録日2020-11-01
公開日2022-01-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.839 Å)
主引用文献Signal transfer in human protein tyrosine phosphatase PTP1B from allosteric inhibitor P00058.
J.Biomol.Struct.Dyn., 2021
6U25
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BU of 6u25 by Molmil
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS- RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH A TRICYCLIC INVERSE AGONIST
分子名称: GLYCEROL, NUCLEAR RECEPTOR COACTIVATOR 1 CHIMERA, trans-4-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid
著者Sack, J.
登録日2019-08-19
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Rationally Designed, Conformationally Constrained Inverse Agonists of ROR gamma t-Identification of a Potent, Selective Series with Biologic-Like in Vivo Efficacy.
J.Med.Chem., 62, 2019
6NX1
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BU of 6nx1 by Molmil
STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN BOUND TETHERED WITH SRC CO-ACTIVATOR PEPTIDE AND COMPOUND-3 AKA 1,1,1,3,3,3-HEXAFLUORO-2-{4-[1-(4- LUOROBENZENESULFONYL)CYCLOPENTYL]PHENYL}PROPAN-2-OL
分子名称: 1,1,1,3,3,3-hexafluoro-2-(4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}phenyl)propan-2-ol, Nuclear receptor subfamily 1 group I member 2,Nuclear receptor coactivator 1 fusion
著者Khan, J.A.
登録日2019-02-07
公開日2020-02-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structure-based Discovery of Phenyl (3-Phenylpyrrolidin-3-yl)sulfones as Selective, Orally Active ROR gamma t Inverse Agonists.
Acs Med.Chem.Lett., 10, 2019
6NZR
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CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound_12 AKA 4-[(2-methanesulfonylphenyl)amino]-N-(H3)methyl-6-[(pyridin-2- yl)amino]pyridazine-3-carboxamide
分子名称: N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}-6-[(pyridin-2-yl)amino]pyridazine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2, SULFATE ION
著者Khan, J.A.
登録日2019-02-14
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Highly Selective Inhibition of Tyrosine Kinase 2 (TYK2) for the Treatment of Autoimmune Diseases: Discovery of the Allosteric Inhibitor BMS-986165.
J.Med.Chem., 62, 2019
6NZQ
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CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound_29 AKA 6-[(5-FLUORO-4-METH YLPYRIDIN-2-YL)AMINO]-4-({2-METHOXY-3-[(PYRIDIN-2-YLMETHYL )CARBAMOYL]PHENYL}AMINO)-N-METHYLPYRIDINE-3-CARBOXAMIDE
分子名称: 6-[(5-fluoro-4-methylpyridin-2-yl)amino]-4-[(2-methoxy-3-{[(pyridin-2-yl)methyl]carbamoyl}phenyl)amino]-N-methylpyridine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2
著者Khan, J.A.
登録日2019-02-14
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Highly Selective Inhibition of Tyrosine Kinase 2 (TYK2) for the Treatment of Autoimmune Diseases: Discovery of the Allosteric Inhibitor BMS-986165.
J.Med.Chem., 62, 2019
6NZP
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CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH COMPOUND-11 AKA 6-CYCLOPROPANEAMIDO-4-{[2-METHOXY-3-(1-METHYL-1H-1,2,4-TRI AZOL-3-YL)PHENYL]AMINO}-N-(?H?)METHYLPYRIDAZINE-3-CARBOXAMIDE
分子名称: 6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]amino}-N-methylpyridazine-3-carboxamide, CHLORIDE ION, Non-receptor tyrosine-protein kinase TYK2
著者Khan, J.A.
登録日2019-02-14
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Highly Selective Inhibition of Tyrosine Kinase 2 (TYK2) for the Treatment of Autoimmune Diseases: Discovery of the Allosteric Inhibitor BMS-986165.
J.Med.Chem., 62, 2019
6O98
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Crystal structure of RAR-related orphan receptor C in complex with a phenyl (3-phenylpyrrolidin-3-yl)sulfone inhibitor
分子名称: 1-(4-{(3R)-3-[(4-fluorophenyl)sulfonyl]-3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyrrolidine-1-carbonyl}piperazin-1-yl)ethan-1-one, Nuclear receptor ROR-gamma
著者Sack, J.S.
登録日2019-03-13
公開日2019-03-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Structure-based Discovery of Phenyl (3-Phenylpyrrolidin-3-yl)sulfones as Selective, Orally Active ROR gamma t Inverse Agonists.
ACS Med Chem Lett, 10, 2019
5E8U
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TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D,I211V,Y249F,S280T, Y282F,S287N,A350C,L352F)
分子名称: GLYCEROL, TGF-beta receptor type-1
著者Sheriff, S.
登録日2015-10-14
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Crystal structures of apo and inhibitor-bound TGF beta R2 kinase domain: insights into TGF beta R isoform selectivity.
Acta Crystallogr D Struct Biol, 72, 2016
5E91
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TGF-BETA RECEPTOR TYPE 2 KINASE DOMAIN (E431A,R433A,E485A,K488A,R493A,R495A) IN COMPLEX WITH 3-AMINO-6-[4-(2- HYDROXYETHYL)PHENYL]-N-[4-(MORPHOLIN-4-YL)PYRIDIN-3-YL] PYRAZINE-2-CARBOXAMIDE
分子名称: 3-amino-6-[4-(2-hydroxyethyl)phenyl]-N-[4-(morpholin-4-yl)pyridin-3-yl]pyrazine-2-carboxamide, TGF-beta receptor type-2
著者Sheriff, S.
登録日2015-10-14
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Crystal structures of apo and inhibitor-bound TGF beta R2 kinase domain: insights into TGF beta R isoform selectivity.
Acta Crystallogr D Struct Biol, 72, 2016
5E8T
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TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D)
分子名称: GLYCEROL, TGF-beta receptor type-1
著者Sheriff, S.
登録日2015-10-14
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structures of apo and inhibitor-bound TGF beta R2 kinase domain: insights into TGF beta R isoform selectivity.
Acta Crystallogr D Struct Biol, 72, 2016
5E90
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TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D,I211V,Y249F, S280T,Y282F,S287N,A350C,L352F) IN COMPLEX WITH 3-AMINO-6- [4-(2-HYDROXYETHYL)PHENYL]-N-[4-(MORPHOLIN-4-YL)PYRIDIN-3-YL]PYRAZINE-2-CARBOXAMIDE
分子名称: 3-amino-6-[4-(2-hydroxyethyl)phenyl]-N-[4-(morpholin-4-yl)pyridin-3-yl]pyrazine-2-carboxamide, TGF-beta receptor type-1
著者Sheriff, S.
登録日2015-10-14
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structures of apo and inhibitor-bound TGF beta R2 kinase domain: insights into TGF beta R isoform selectivity.
Acta Crystallogr D Struct Biol, 72, 2016
5E92
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TGF-BETA RECEPTOR TYPE 2 KINASE DOMAIN (E431A,R433A,E485A,K488A,R493A,R495A) IN COMPLEX WITH AMPPNP
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, TGF-beta receptor type-2
著者Sheriff, S.
登録日2015-10-14
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Crystal structures of apo and inhibitor-bound TGF beta R2 kinase domain: insights into TGF beta R isoform selectivity.
Acta Crystallogr D Struct Biol, 72, 2016

 

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