3UW5
| Crystal structure of the BIR domain of MLIAP bound to GDC0152 | 分子名称: | Baculoviral IAP repeat-containing protein 7, Baculoviral IAP repeat-containing protein 4, GDC-0152, ... | 著者 | Maurer, B, Hymowitz, S.G. | 登録日 | 2011-11-30 | 公開日 | 2012-02-22 | 最終更新日 | 2017-08-02 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | Discovery of a Potent Small-Molecule Antagonist of Inhibitor of Apoptosis (IAP) Proteins and Clinical Candidate for the Treatment of Cancer (GDC-0152). J.Med.Chem., 55, 2012
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1KI6
| CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE I COMPLEXED WITH A 5-IODOURACIL ANHYDROHEXITOL NUCLEOSIDE | 分子名称: | 1',5'-ANHYDRO-2',3'-DIDEOXY-2'-(5-IODOURACIL-1-YL)-D-ABABINO-HEXITOL, SULFATE ION, THYMIDINE KINASE | 著者 | Champness, J.N, Bennett, M.S, Wien, F, Herdewijn, P, Ostrowski, T, Summers, W.C, Sanderson, M.R. | 登録日 | 1998-05-18 | 公開日 | 1998-12-02 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | 主引用文献 | Exploring the active site of herpes simplex virus type-1 thymidine kinase by X-ray crystallography of complexes with aciclovir and other ligands. Proteins, 32, 1998
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1KI7
| CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE I COMPLEXED WITH 5-IODODEOXYURIDINE | 分子名称: | 5-IODODEOXYURIDINE, SULFATE ION, THYMIDINE KINASE | 著者 | Champness, J.N, Bennett, M.S, Wien, F, Visse, R, Summers, W.C, Sanderson, M.R. | 登録日 | 1998-05-15 | 公開日 | 1998-12-02 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Exploring the active site of herpes simplex virus type-1 thymidine kinase by X-ray crystallography of complexes with aciclovir and other ligands. Proteins, 32, 1998
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1KIM
| CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE I COMPLEXED WITH DEOXYTHYMIDINE | 分子名称: | SULFATE ION, THYMIDINE, THYMIDINE KINASE | 著者 | Champness, J.N, Bennett, M.S, Wien, F, Brown, D.G, Visse, R, Sandhu, G, Davies, A, Rizkallah, P.J, Melitz, C, Summers, W.C, Sanderson, M.R. | 登録日 | 1997-11-12 | 公開日 | 1998-05-20 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Exploring the active site of herpes simplex virus type-1 thymidine kinase by X-ray crystallography of complexes with aciclovir and other ligands. Proteins, 32, 1998
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1KI8
| CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE I COMPLEXED WITH 5-BROMOVINYLDEOXYURIDINE | 分子名称: | 5-BROMOVINYLDEOXYURIDINE, SULFATE ION, THYMIDINE KINASE | 著者 | Champness, J.N, Bennett, M.S, Wien, F, Visse, R, Summers, W.C, Sanderson, M.R. | 登録日 | 1998-05-15 | 公開日 | 1998-12-02 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Exploring the active site of herpes simplex virus type-1 thymidine kinase by X-ray crystallography of complexes with aciclovir and other ligands. Proteins, 32, 1998
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4NUK
| Crystal structure of nickel-bound Na-ASP-2 | 分子名称: | Ancylostoma secreted protein 2, NICKEL (II) ION | 著者 | Hofmann, A. | 登録日 | 2013-12-03 | 公開日 | 2014-05-14 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Probing the equatorial groove of the hookworm protein and vaccine candidate antigen, Na-ASP-2. Int.J.Biochem.Cell Biol., 50, 2014
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4NUN
| Crystal structure of copper-bound Na-ASP-2 | 分子名称: | Ancylostoma secreted protein 2, COPPER (II) ION | 著者 | Hofmann, A. | 登録日 | 2013-12-03 | 公開日 | 2014-05-14 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Probing the equatorial groove of the hookworm protein and vaccine candidate antigen, Na-ASP-2. Int.J.Biochem.Cell Biol., 50, 2014
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4BTI
| factor Xa in complex with the dual thrombin-FXa inhibitor 58. | 分子名称: | 5-Chloro-thiophene-2-carboxylic acid [(S)-2-[2-difluoromethoxy-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-((S)-3-dimethylamino-pyrrolidin-1-yl)-3-oxo-propyl]-amide, CALCIUM ION, COAGULATION FACTOR X HEAVY CHAIN, ... | 著者 | Meneyrol, J, Follmann, M, Lassalle, G, Wehner, V, Barre, G, Rousseaux, T, Altenburger, J.M, Petit, F, Bocskei, Z, Stehlin-Gaon, C, Schreuder, H, Alet, N, Herault, J.-P, Millet, L, Dol, F, Hasbrand, C, Schaeffer, P, Sadoun, F, Klieber, S, Briot, C, Bono, F, Herbert, J.-M. | 登録日 | 2013-06-18 | 公開日 | 2013-12-25 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | 5-Chlorothiophene-2-Carboxylic Acid [(S)-2-[2-Methyl-3-(2-Oxopyrrolidin-1-Yl)Benzenesulfonylamino]-3-(4-Methylpiperazin-1-Yl)-3-Oxopropyl]Amide (Sar107375), a Selective and Potent Orally Active Dual Thrombin and Factor Xa Inhibitor. J.Med.Chem., 56, 2013
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4BTT
| factor Xa in complex with the dual thrombin-FXa inhibitor 31. | 分子名称: | CALCIUM ION, COAGULATION FACTOR X, COAGULATION FACTOR X LIGHT CHAIN, ... | 著者 | Meneyrol, J, Follmann, M, Lassalle, G, Wehner, V, Barre, G, Rousseaux, T, Altenburger, J.M, Petit, F, Bocskei, Z, Stehlin-Gaon, C, Schreuder, H, Alet, N, Herault, J.-P, Millet, L, Dol, F, Hasbrand, C, Schaeffer, P, Sadoun, F, Klieber, S, Briot, C, Bono, F, Herbert, J.-M. | 登録日 | 2013-06-19 | 公開日 | 2013-12-18 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | 主引用文献 | 5-Chlorothiophene-2-Carboxylic Acid [(S)-2-[2-Methyl-3-(2-Oxopyrrolidin-1-Yl)Benzenesulfonylamino]-3-(4-Methylpiperazin-1-Yl)-3-Oxopropyl]Amide (Sar107375), a Selective and Potent Orally Active Dual Thrombin and Factor Xa Inhibitor. J.Med.Chem., 56, 2013
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4NUI
| Crystal structure of cobalt-bound Na-ASP-2 | 分子名称: | Ancylostoma secreted protein 2, COBALT (II) ION | 著者 | Hofmann, A. | 登録日 | 2013-12-03 | 公開日 | 2014-05-14 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Probing the equatorial groove of the hookworm protein and vaccine candidate antigen, Na-ASP-2. Int.J.Biochem.Cell Biol., 50, 2014
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4NUO
| Crystal structure of zinc-bound Na-ASP-2 | 分子名称: | Ancylostoma secreted protein 2, ZINC ION | 著者 | Hofmann, A. | 登録日 | 2013-12-03 | 公開日 | 2014-05-14 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Probing the equatorial groove of the hookworm protein and vaccine candidate antigen, Na-ASP-2. Int.J.Biochem.Cell Biol., 50, 2014
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4BTU
| Factor Xa in complex with the dual thrombin-FXa inhibitor 57. | 分子名称: | 5-Chloro-thiophene-2-carboxylic acid [(S)-2-[2-chloro-5-fluoro-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-(4-methyl-piperazin-1-yl)-3-oxo-propyl]-amide, CALCIUM ION, COAGULATION FACTOR X HEAVY CHAIN, ... | 著者 | Meneyrol, J, Follmann, M, Lassalle, G, Wehner, V, Barre, G, Rousseaux, T, Altenburger, J.M, Petit, F, Bocskei, Z, Stehlin-Gaon, C, Schreuder, H, Alet, N, Herault, J.-P, Millet, L, Dol, F, Hasbrand, C, Schaeffer, P, Sadoun, F, Klieber, S, Briot, C, Bono, F, Herbert, J.-M. | 登録日 | 2013-06-19 | 公開日 | 2013-12-18 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | 主引用文献 | 5-Chlorothiophene-2-Carboxylic Acid [(S)-2-[2-Methyl-3-(2-Oxopyrrolidin-1-Yl)Benzenesulfonylamino]-3-(4-Methylpiperazin-1-Yl)-3-Oxopropyl]Amide (Sar107375), a Selective and Potent Orally Active Dual Thrombin and Factor Xa Inhibitor. J.Med.Chem., 56, 2013
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1KI4
| CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE I COMPLEXED WITH 5-BROMOTHIENYLDEOXYURIDINE | 分子名称: | 5-BROMOTHIENYLDEOXYURIDINE, SULFATE ION, THYMIDINE KINASE | 著者 | Champness, J.N, Bennett, M.S, Wien, F, Visse, R, Summers, W.C, Sanderson, M.R. | 登録日 | 1998-05-18 | 公開日 | 1998-12-02 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | 主引用文献 | Exploring the active site of herpes simplex virus type-1 thymidine kinase by X-ray crystallography of complexes with aciclovir and other ligands. Proteins, 32, 1998
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1KI2
| CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE I COMPLEXED WITH GANCICLOVIR | 分子名称: | 9-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINE, SULFATE ION, THYMIDINE KINASE | 著者 | Champness, J.N, Bennett, M.S, Wien, F, Brown, D.G, Visse, R, Sandhu, G, Davies, A, Rizkallah, P.J, Melitz, C, Summers, W.C, Sanderson, M.R. | 登録日 | 1998-05-15 | 公開日 | 1998-12-02 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Exploring the active site of herpes simplex virus type-1 thymidine kinase by X-ray crystallography of complexes with aciclovir and other ligands. Proteins, 32, 1998
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1KI3
| CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE I COMPLEXED WITH PENCICLOVIR | 分子名称: | 9-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-1-YL)GUANINE, SULFATE ION, THYMIDINE KINASE | 著者 | Champness, J.N, Bennett, M.S, Wien, F, Visse, R, Jarvest, R.L, Summers, W.C, Sanderson, M.R. | 登録日 | 1998-05-15 | 公開日 | 1999-05-18 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | 主引用文献 | Exploring the active site of herpes simplex virus type-1 thymidine kinase by X-ray crystallography of complexes with aciclovir and other ligands. Proteins, 32, 1998
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1EEA
| Acetylcholinesterase | 分子名称: | PROTEIN (ACETYLCHOLINESTERASE) | 著者 | Raves, M.L, Giles, K, Schrag, J.D, Schmid, M.F, Phillips Jr, G.N, Wah, C, Howard, A.J, Silman, I, Sussman, J.L. | 登録日 | 1999-01-26 | 公開日 | 1999-02-01 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (4.5 Å) | 主引用文献 | Quaternary Structure of Tetrameric Acetylcholinesterase Structure and Function of Cholinesterases and Related Proteins, 1998
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1EA5
| NATIVE ACETYLCHOLINESTERASE (E.C. 3.1.1.7) FROM TORPEDO CALIFORNICA at 1.8A resolution | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE | 著者 | Harel, M, Weik, M, Silman, I, Sussman, J.L. | 登録日 | 2000-11-06 | 公開日 | 2000-11-08 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | X-Ray Structures of Torpedo Californica Acetylcholinesterase Complexed with (+)-Huperzine a and (-)-Huperzine B: Structural Evidence for an Active Site Rearrangement Biochemistry, 41, 2002
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2Y8D
| STRUCTURE OF DBL6 EPSILON DOMAIN FROM VAR2CSA STRAIN FCR3 | 分子名称: | 2-AMINO-ETHANETHIOL, BENZAMIDINE, ERYTHROCYTE MEMBRANE PROTEIN 1 | 著者 | Gangnard, S, Ramboarina, S, Lewit-Bentley, A, Bentley, G.A. | 登録日 | 2011-02-04 | 公開日 | 2012-02-15 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Structural and Immunological Correlations between the Variable Blocks of the Var2Csa Domain Dbl6Epsilon from Two Plasmodium Falciparum Parasite Lines. J.Mol.Biol., 425, 2013
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4DBM
| Aplysia californica-AChBP in complex with triazole 18 | 分子名称: | (3-exo)-8,8-dimethyl-3-(4-{[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]methyl}-1H-1,2,3-triazol-1-yl)-8-azoniabicyclo[3.2.1]octane, 2-acetamido-2-deoxy-beta-D-glucopyranose, Soluble acetylcholine receptor, ... | 著者 | Nemecz, A, Yamauchi, J.G, Kim, C. | 登録日 | 2012-01-16 | 公開日 | 2012-03-21 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Generation of candidate ligands for nicotinic acetylcholine receptors via in situ click chemistry with a soluble acetylcholine binding protein template. J.Am.Chem.Soc., 134, 2012
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1PXN
| HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 4-[4-(4-Methyl-2-methylamino-thiazol-5-yl)-pyrimidin-2-ylamino]-phenol | 分子名称: | 4-[4-(4-METHYL-2-METHYLAMINO-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-PHENOL, Cell division protein kinase 2 | 著者 | Wang, S, Meades, C, Wood, G, Osnowski, A, Anderson, S, Yuill, R, Thomas, M, Mezna, M, Jackson, W, Midgley, C, Griffiths, G, McNae, I, Wu, S.Y, McInnes, C, Zheleva, D, Walkinshaw, M.D, Fischer, P.M. | 登録日 | 2003-07-04 | 公開日 | 2004-04-13 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | 2-Anilino-4-(thiazol-5-yl)pyrimidine CDK inhibitors: synthesis, SAR analysis, X-ray crystallography, and biological activity. J.Med.Chem., 47, 2004
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1PXO
| HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR [4-(2-Amino-4-methyl-thiazol-5-yl)-pyrimidin-2-yl]-(3-nitro-phenyl)-amine | 分子名称: | Cell division protein kinase 2, [4-(2-AMINO-4-METHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-AMINE | 著者 | Wang, S, Meades, C, Wood, G, Osnowski, A, Anderson, S, Yuill, R, Thomas, M, Mezna, M, Jackson, W, Midgley, C, Griffiths, G, McNae, I, Wu, S.Y, McInnes, C, Zheleva, D, Walkinshaw, M.D, Fischer, P.M. | 登録日 | 2003-07-04 | 公開日 | 2004-04-13 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | 2-Anilino-4-(thiazol-5-yl)pyrimidine CDK inhibitors: synthesis, SAR analysis, X-ray crystallography, and biological activity. J.Med.Chem., 47, 2004
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1PXM
| HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 3-[4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-ylamino]-phenol | 分子名称: | 3-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-PHENOL, Cell division protein kinase 2 | 著者 | Wang, S, Meades, C, Wood, G, Osnowski, A, Anderson, S, Yuill, R, Thomas, M, Jackson, W, Midgley, C, Griffiths, G, McNae, I, Wu, S.Y, McInnes, C, Zheleva, D, Walkinshaw, M.D, Fischer, P.M. | 登録日 | 2003-07-04 | 公開日 | 2004-04-13 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | 主引用文献 | 2-Anilino-4-(thiazol-5-yl)pyrimidine CDK inhibitors: synthesis, SAR analysis, X-ray crystallography, and biological activity. J.Med.Chem., 47, 2004
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1PXP
| HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR N-[4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-yl]-N',N'-dimethyl-benzene-1,4-diamine | 分子名称: | Cell division protein kinase 2, N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-N',N'-DIMETHYL-BENZENE-1,4-DIAMINE | 著者 | Wang, S, Meades, C, Wood, G, Osnowski, A, Anderson, S, Yuill, R, Thomas, M, Mezna, M, Jackson, W, Midgley, C, Griffiths, G, McNae, I, Wu, S.Y, McInnes, C, Zheleva, D, Walkinshaw, M.D, Fischer, P.M. | 登録日 | 2003-07-04 | 公開日 | 2004-04-13 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | 2-Anilino-4-(thiazol-5-yl)pyrimidine CDK inhibitors: synthesis, SAR analysis, X-ray crystallography, and biological activity. J.Med.Chem., 47, 2004
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2ACE
| NATIVE ACETYLCHOLINESTERASE (E.C. 3.1.1.7) FROM TORPEDO CALIFORNICA | 分子名称: | ACETYLCHOLINE, ACETYLCHOLINESTERASE | 著者 | Harel, M, Raves, M.L, Silman, I, Sussman, J.L. | 登録日 | 1996-06-23 | 公開日 | 1996-11-08 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structure of acetylcholinesterase complexed with the nootropic alkaloid, (-)-huperzine A. Nat.Struct.Biol., 4, 1997
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2IFJ
| Lys6 deamidated variant of ImI conotoxin | 分子名称: | Alpha-conotoxin ImI | 著者 | Kini, R.M, Kang, T.S. | 登録日 | 2006-09-21 | 公開日 | 2007-08-14 | 最終更新日 | 2022-03-09 | 実験手法 | SOLUTION NMR | 主引用文献 | Protein folding determinants: structural features determining alternative disulfide pairing in alpha- and chi/lambda-conotoxins Biochemistry, 46, 2007
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