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PDB: 80 件
1D4P
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BU of 1d4p by Molmil
CRYSTAL STRUCTURE OF HUMAN ALPHA THROMBIN IN COMPLEX WITH 5-AMIDINOINDOLE-4-BENZYLPIPERIDINE INHIBITOR
分子名称: 2-(4-benzylpiperidine-1-carbonyl)-1H-indole-5-carboximidamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN, ...
著者Chirgadze, N.Y.
登録日1999-10-04
公開日1999-10-20
最終更新日2021-04-28
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献The crystal structure of human alpha-thrombin complexed with LY178550, a nonpeptidyl, active site-directed inhibitor.
Protein Sci., 6, 1997
1FTE
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BU of 1fte by Molmil
CRYSTAL STRUCTURE OF STREPTOCOCCUS PNEUMONIAE ACYL CARRIER PROTEIN SYNTHASE (NATIVE 1)
分子名称: ACYL CARRIER PROTEIN SYNTHASE, SULFATE ION
著者Chirgadze, N, Briggs, S, McAllister, K, Fischl, A, Zhao, G.
登録日2000-09-12
公開日2001-09-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of Streptococcus pneumoniae acyl carrier protein synthase: an essential enzyme in bacterial fatty acid biosynthesis.
EMBO J., 19, 2000
1FTF
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CRYSTAL STRUCTURE OF STREPTOCOCCUS PNEUMONIAE ACYL CARRIER PROTEIN SYNTHASE (NATIVE 2)
分子名称: ACYL CARRIER PROTEIN SYNTHASE
著者Chirgadze, N, Briggs, S, McAllister, K, Fischl, A, Zhao, G.
登録日2000-09-12
公開日2001-09-12
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure of Streptococcus pneumoniae acyl carrier protein synthase: an essential enzyme in bacterial fatty acid biosynthesis.
EMBO J., 19, 2000
1FTH
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BU of 1fth by Molmil
CRYSTAL STRUCTURE OF STREPTOCOCCUS PNEUMONIAE ACYL CARRIER PROTEIN SYNTHASE (3'5'-ADP COMPLEX)
分子名称: ACYL CARRIER PROTEIN SYNTHASE, ADENOSINE-3'-5'-DIPHOSPHATE
著者Chirgadze, N, Briggs, S, McAllister, K, Fischl, A, Zhao, G.
登録日2000-09-12
公開日2001-09-12
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of Streptococcus pneumoniae acyl carrier protein synthase: an essential enzyme in bacterial fatty acid biosynthesis.
EMBO J., 19, 2000
1DB5
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BU of 1db5 by Molmil
HUMAN S-PLA2 IN COMPLEX WITH INDOLE 6
分子名称: 4-(1-BENZYL-3-CARBAMOYLMETHYL-2-METHYL-1H-INDOL-5-YLOXY)-BUTYRIC ACID, CALCIUM ION, PROTEIN (PHOSPHOLIPASE A2)
著者Chirgadze, N.Y, Schevitz, R.W, Wery, J.-P.
登録日1999-11-02
公開日1999-11-12
最終更新日2012-02-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-based design of the first potent and selective inhibitor of human non-pancreatic secretory phospholipase A2.
Nat.Struct.Biol., 2, 1995
1DCY
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BU of 1dcy by Molmil
CRYSTAL STRUCTURE OF HUMAN S-PLA2 IN COMPLEX WITH INDOLE 3 ACTIVE SITE INHIBITOR
分子名称: 1-BENZYL-5-METHOXY-2-METHYL-1H-INDOL-3-YL)-ACETIC ACID, CALCIUM ION, PHOSPHOLIPASE A2
著者Chirgadze, N.Y, Schevitz, R.W, Wery, J.-P.
登録日1999-11-05
公開日1999-11-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure-based design of the first potent and selective inhibitor of human non-pancreatic secretory phospholipase A2.
Nat.Struct.Biol., 2, 1995
1DB4
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HUMAN S-PLA2 IN COMPLEX WITH INDOLE 8
分子名称: CALCIUM ION, PHOSPHOLIPASE A2, [3-(1-BENZYL-3-CARBAMOYLMETHYL-2-METHYL-1H-INDOL-5-YLOXY)-PROPYL-]-PHOSPHONIC ACID
著者Chirgadze, N.Y, Schevitz, R.W, Wery, J.-P.
登録日1999-11-02
公開日1999-11-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-based design of the first potent and selective inhibitor of human non-pancreatic secretory phospholipase A2.
Nat.Struct.Biol., 2, 1995
1D3Q
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BU of 1d3q by Molmil
CRYSTAL STRUCTURE OF HUMAN ALPHA THROMBIN IN COMPLEX WITH BENZO[B]THIOPHENE INHIBITOR 2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[4-(2-PYRROLIDIN-1-YL-ETHOXY)-BENZYL]-2-4-(2-PYRROLIDIN-1-YL-ETHOXY)-PHENYL] -BENZO[B]THIOPHENE, ALPHA-THROMBIN, ...
著者Chirgadze, N.Y.
登録日1999-09-30
公開日2000-10-04
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The crystal structures of human alpha-thrombin complexed with active site-directed diamino benzo[b]thiophene derivatives: a binding mode for a structurally novel class of inhibitors.
Protein Sci., 9, 2000
1D3D
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BU of 1d3d by Molmil
CRYSTAL STRUCTURE OF HUMAN ALPHA THROMBIN IN COMPLEX WITH BENZOTHIOPHENE INHIBITOR 4
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(3-BROMO-4-PYRROLIDIN-1-YLMETHYL-BENZYL)-2-[4-PYRROLIDIN-1-YL-ETHOXY)-PHENYL]-BENZO[B]THIOPHEN-6-OL, ALPHA-THROMBIN, ...
著者Chirgadze, N.Y.
登録日1999-09-29
公開日2000-10-04
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献The crystal structures of human alpha-thrombin complexed with active site-directed diamino benzo[b]thiophene derivatives: a binding mode for a structurally novel class of inhibitors
Protein Sci., 9, 2000
1D3P
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BU of 1d3p by Molmil
CRYSTAL STRUCTURE OF HUMAN APLHA-THROMBIN IN COMPLEX WITH BENZO[B]THIOPHENE INHIBITOR 3
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[4-(2-PYRROLIDIN-1-YL-ETHOXY)-BENZYL]-2-4-(2-PYRROLIDIN-1-YL-ETHOXY)-PHENYL] -BENZO[B]THIOPHEN-6-OL, ALPHA-THROMBIN, ...
著者Chirgadze, N.Y.
登録日1999-09-30
公開日2000-10-04
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The crystal structures of human alpha-thrombin complexed with active site-directed diamino benzo[b]thiophene derivatives: a binding mode for a structurally novel class of inhibitors.
Protein Sci., 9, 2000
1D3T
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BU of 1d3t by Molmil
CRYSTAL STRUCTURE OF HUMAN ALPHA THROMBIN IN COMPLEX WITH BENZO[B]THIOPHENE INHIBITOR 1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN, HIRUGEN, ...
著者Chirgadze, N.Y.
登録日1999-09-30
公開日2000-10-04
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The crystal structures of human alpha-thrombin complexed with active site-directed diamino benzo[b]thiophene derivatives: a binding mode for a structurally novel class of inhibitors.
Protein Sci., 9, 2000
5KEF
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BU of 5kef by Molmil
Structure of hypothetical Staphylococcus protein SA0856 with zinc
分子名称: ACETATE ION, PhnB protein, ZINC ION
著者Battaile, K.P, Chirgadze, Y.N, Lam, R, Chan, T, Mihajlovic, V, Romanov, V, Pai, E, Mendez, V, Chirgadze, N.Y.
登録日2016-06-09
公開日2017-01-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Crystal structure of Staphylococcus aureus Zn-glyoxalase I: new subfamily of glyoxalase I family.
J. Biomol. Struct. Dyn., 36, 2018
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
2IHY
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BU of 2ihy by Molmil
Structure of the Staphylococcus aureus putative ATPase subunit of an ATP-binding cassette (ABC) transporter
分子名称: ABC transporter, ATP-binding protein, SULFATE ION
著者McGrath, T.E, Yu, C.S, Romanov, V, Lam, R, Dharamsi, A, Virag, C, Mansoury, K, Thambipillai, D, Richards, D, Guthrie, J, Edwards, A.M, Pai, E.F, Chirgadze, N.Y.
登録日2006-09-27
公開日2007-09-18
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the Staphylococcus aureus putative ATPase subunit of an ATP-binding cassette (ABC) transporter
To be Published
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
4TJW
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BU of 4tjw by Molmil
Crystal Structure of human Tankyrase 2 in complex with PJ-34.
分子名称: N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE, Tankyrase-2, ZINC ION
著者Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y.
登録日2014-05-25
公開日2014-10-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
4TKG
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BU of 4tkg by Molmil
Crystal Structure of human Tankyrase 2 in complex with AZD2281.
分子名称: 4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one, GLYCEROL, Tankyrase-2, ...
著者Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y.
登録日2014-05-26
公開日2014-10-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
3I0U
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BU of 3i0u by Molmil
Structure of the type III effector/phosphothreonine lyase OspF from Shigella flexneri
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Phosphothreonine lyase ospF
著者Singer, A.U, Skarina, T, Nocek, B, Gordon, R, Lam, R, Kagan, O, Edwards, A.M, Joachimiak, A, Chirgadze, N.Y, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2009-06-25
公開日2009-09-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of the type III effector/phosphothreonine lyase OspF from Shigella flexneri
TO BE PUBLISHED
4TK5
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BU of 4tk5 by Molmil
Crystal Structure of human Tankyrase 2 in complex with EB47.
分子名称: 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide, Tankyrase-2, ZINC ION
著者Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y.
登録日2014-05-25
公開日2014-10-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
4TKF
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Crystal Structure of human Tankyrase 2 in complex with IWR-1.
分子名称: 3-aminobenzamide, 4-[(3aR,4R,7S,7aS)-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl]-N-(quinolin-8-yl)benzamide, Tankyrase-2, ...
著者Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y.
登録日2014-05-26
公開日2014-11-05
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
4TJY
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BU of 4tjy by Molmil
Crystal Structure of human Tankyrase 2 in complex with ABT-888.
分子名称: 2-[(2S)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-7-carboxamide, Tankyrase-2, ZINC ION
著者Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y.
登録日2014-05-25
公開日2014-10-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
4TKI
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BU of 4tki by Molmil
Crystal Structure of human Tankyrase 2 in complex with BSI-201.
分子名称: 4-iodo-3-nitrobenzamide, ISOPROPYL ALCOHOL, Tankyrase-2, ...
著者Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y.
登録日2014-05-26
公開日2014-10-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
4TJU
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BU of 4tju by Molmil
Crystal Structure of human Tankyrase 2 in complex with 3,4-CPQ-5-C.
分子名称: 3-(4-CHLOROPHENYL)QUINOXALINE-5-CARBOXAMIDE, Tankyrase-2, ZINC ION
著者Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y.
登録日2014-05-25
公開日2014-10-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
4TK0
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BU of 4tk0 by Molmil
Crystal Structure of human Tankyrase 2 in complex with DPQ.
分子名称: 5-[4-(piperidin-1-yl)butoxy]-3,4-dihydroisoquinolin-1(2H)-one, Tankyrase-2, ZINC ION
著者Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y.
登録日2014-05-25
公開日2014-11-05
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
4JS8
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Crystal structure of TTK kinase domain with an inhibitor: 401348
分子名称: 4-(cyclohexylmethoxy)-3-{4-[(1-methylpiperidin-4-yl)oxy]phenyl}-2H-indazole, DI(HYDROXYETHYL)ETHER, Dual specificity protein kinase TTK, ...
著者Qiu, W, Plotnikov, A.N, Plotnikova, O, Feher, M, Awrey, D.E, Chirgadze, N.Y.
登録日2013-03-22
公開日2014-03-26
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Crystal structure of TTK kinase domain with an inhibitor: 401348
To be Published

 

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