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2F6F
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BU of 2f6f by Molmil
The structure of the S295F mutant of human PTP1B
分子名称: CHLORIDE ION, MAGNESIUM ION, Tyrosine-protein phosphatase, ...
著者Montalibet, J, Skorey, K, McKay, D, Scapin, G, Asante-Appiah, E, Kennedy, B.P.
登録日2005-11-29
公開日2005-12-06
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Residues distant from the active site influence protein-tyrosine phosphatase 1B inhibitor binding.
J.Biol.Chem., 281, 2006
1IKQ
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BU of 1ikq by Molmil
Pseudomonas Aeruginosa Exotoxin A, wild type
分子名称: CHLORIDE ION, EXOTOXIN A, SODIUM ION
著者McKay, D.B, Wedekind, J.E, Trame, C.B.
登録日2001-05-04
公開日2001-12-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Refined Crystallographic Structure of Pseudomonas aeruginosa Exotoxin A and its Implications for the Molecular Mechanism of Toxicity
J.Mol.Biol., 314, 2001
3CWE
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BU of 3cwe by Molmil
PTP1B in complex with a phosphonic acid inhibitor
分子名称: MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1, [{2-bromo-4-[(2R)-3-oxo-2,3-diphenylpropyl]phenyl}(difluoro)methyl]phosphonic acid
著者Scapin, G, Han, Y, Kennedy, B.P.
登録日2008-04-21
公開日2008-06-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of [(3-bromo-7-cyano-2-naphthyl)(difluoro)methyl]phosphonic acid, a potent and orally active small molecule PTP1B inhibitor
Bioorg.Med.Chem.Lett., 18, 2008
5SUN
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BU of 5sun by Molmil
IDH1 R132H in complex with IDH146
分子名称: 1,2-ETHANEDIOL, 3-benzyl-N-[3-(dimethylsulfamoyl)phenyl]-4-oxo-3,4-dihydrophthalazine-1-carboxamide, DIMETHYL SULFOXIDE, ...
著者Xie, X, Kulathila, R.
登録日2016-08-03
公開日2017-02-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.477 Å)
主引用文献Allosteric Mutant IDH1 Inhibitors Reveal Mechanisms for IDH1 Mutant and Isoform Selectivity.
Structure, 25, 2017
5SVF
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BU of 5svf by Molmil
IDH1 R132H in complex with IDH125
分子名称: (4S)-3-(2-{[(1S)-1-phenylethyl]amino}pyrimidin-4-yl)-4-(propan-2-yl)-1,3-oxazolidin-2-one, CITRATE ANION, Isocitrate dehydrogenase [NADP] cytoplasmic, ...
著者Xie, X, Kulathila, R.
登録日2016-08-05
公開日2017-02-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Allosteric Mutant IDH1 Inhibitors Reveal Mechanisms for IDH1 Mutant and Isoform Selectivity.
Structure, 25, 2017
5SVO
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BU of 5svo by Molmil
Structure of IDH2 mutant R140Q
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Isocitrate dehydrogenase [NADP], mitochondrial, ...
著者Xie, X, Kulathila, R.
登録日2016-08-06
公開日2017-02-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Allosteric Mutant IDH1 Inhibitors Reveal Mechanisms for IDH1 Mutant and Isoform Selectivity.
Structure, 25, 2017
5SVN
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BU of 5svn by Molmil
Structure of IDH2 mutant R172K
分子名称: DI(HYDROXYETHYL)ETHER, Isocitrate dehydrogenase [NADP], mitochondrial, ...
著者Xie, X, Kulathila, R.
登録日2016-08-06
公開日2017-02-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Allosteric Mutant IDH1 Inhibitors Reveal Mechanisms for IDH1 Mutant and Isoform Selectivity.
Structure, 25, 2017
1RHJ
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BU of 1rhj by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE-3 WITH A PRYAZINONE INHIBITOR
分子名称: 3-(2-{5-TERT-BUTYL-3-[(4-METHYL-FURAZAN-3-YLMETHYL)-AMINO]-2-OXO-2H-PYRAZIN-1-YL}-BUTYRYLAMINO)-5-(HEXYL-METHYL-AMINO)-4-OXO-PENTANOIC ACID ANION, Caspase-3
著者Becker, J.W, Rotonda, J, Soisson, S.M.
登録日2003-11-14
公開日2004-05-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Reducing the Peptidyl Features of Caspase-3 Inhibitors: A Structural Analysis.
J.Med.Chem., 47, 2004
1RHU
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CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE-3 WITH A 5,6,7 TRICYCLIC PEPTIDOMIMETIC INHIBITOR
分子名称: (3S)-3-[({(2S)-5-[(N-ACETYL-L-ALPHA-ASPARTYL)AMINO]-4-OXO-1,2,4,5,6,7-HEXAHYDROAZEPINO[3,2,1-HI]INDOL-2-YL}CARBONYL)AMINO]-5-(BENZYLSULFANYL)-4-OXOPENTANOIC ACID, Caspase-3
著者Becker, J.W, Rotonda, J, Soisson, S.M.
登録日2003-11-14
公開日2004-05-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Reducing the Peptidyl Features of Caspase-3 Inhibitors: A Structural Analysis.
J.Med.Chem., 47, 2004
1RHQ
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CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE-3 WITH A BROMOMETHOXYPHENYL INHIBITOR
分子名称: 5-S-benzyl-3-({N-[(5-bromo-2-methoxyphenyl)acetyl]-L-valyl}amino)-2,3-dideoxy-5-thio-D-erythro-pentonic acid, Caspase-3
著者Becker, J.W, Rotonda, J, Soisson, S.M.
登録日2003-11-14
公開日2004-05-11
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Reducing the Peptidyl Features of Caspase-3 Inhibitors: A Structural Analysis.
J.Med.Chem., 47, 2004
1RE1
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BU of 1re1 by Molmil
CRYSTAL STRUCTURE OF CASPASE-3 WITH A NICOTINIC ACID ALDEHYDE INHIBITOR
分子名称: (3S)-3-{[(5-BROMOPYRIDIN-3-YL)CARBONYL]AMINO}-4-OXOBUTANOIC ACID, Caspase-3
著者Becker, J.W, Rotonda, J, Soisson, S.M.
登録日2003-11-06
公開日2004-05-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Reducing the Peptidyl Features of Caspase-3 Inhibitors: A Structural Analysis
J.Med.Chem., 47, 2004
1RHK
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BU of 1rhk by Molmil
Crystal structure of the complex of caspase-3 with a phenyl-propyl-ketone inhibitor
分子名称: Caspase-3, acetyl-asp-glu-val-fpr
著者Becker, J.W, Rotonda, J, Soisson, S.M.
登録日2003-11-14
公開日2004-05-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Reducing the Peptidyl Features of Caspase-3 Inhibitors: A Structural Analysis.
J.Med.Chem., 47, 2004
1RHM
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BU of 1rhm by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE-3 WITH A NICOTINIC ACID ALDEHYDE INHIBITOR
分子名称: 4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)-PYRIDIN-3-YL]-BENZOIC ACID, CASP-3
著者Becker, J.W, Rotonda, J, Soisson, S.M.
登録日2003-11-14
公開日2004-05-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Reducing the Peptidyl Features of Caspase-3 Inhibitors: A Structural Analysis.
J.Med.Chem., 47, 2004
1RHR
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BU of 1rhr by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE-3 WITH A CINNAMIC ACID METHYL ESTER INHIBITOR
分子名称: (3S)-5-[(2-CHLORO-6-FLUOROBENZYL)SULFANYL]-3-{[N-({2-ETHOXY-5-[(1E)-3-METHOXY-3-OXOPROP-1-ENYL]PHENYL}ACETYL)-D-VALYL]AMINO}-4-OXOPENTANOIC ACID, Caspase-3
著者Becker, J.W, Rotonda, J, Soisson, S.M.
登録日2003-11-14
公開日2004-05-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Reducing the Peptidyl Features of Caspase-3 Inhibitors: A Structural Analysis.
J.Med.Chem., 47, 2004

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件を2024-06-12に公開中

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