5JKR
| vaccinia virus D4/A20(1-50)w43a mutant | 分子名称: | DNA polymerase processivity factor component A20, SULFATE ION, Uracil-DNA glycosylase | 著者 | Contesto-Richefeu, C, Tarbouriech, N, Brazzolotto, X, Burmeister, W.P, Peyrefitte, C.N, Iseni, F. | 登録日 | 2016-04-26 | 公開日 | 2016-09-14 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural analysis of point mutations at the Vaccinia virus A20/D4 interface. Acta Crystallogr.,Sect.F, 72, 2016
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5JKS
| vaccinia virus D4 R167A mutant /A20(1-50) | 分子名称: | DNA polymerase processivity factor component A20, SULFATE ION, Uracil-DNA glycosylase | 著者 | Contesto-Richefeu, C, Tarbouriech, N, Brazzolotto, X, Burmeister, W.P, Peyrefitte, C.N, Iseni, F. | 登録日 | 2016-04-26 | 公開日 | 2016-09-14 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | 主引用文献 | Structural analysis of point mutations at the Vaccinia virus A20/D4 interface. Acta Crystallogr.,Sect.F, 72, 2016
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5JKT
| vaccinia virus D4 P173G mutant /A20(1-50) | 分子名称: | ACETATE ION, DNA polymerase processivity factor component A20, SULFATE ION, ... | 著者 | Contesto-Richefeu, C, Tarbouriech, N, Brazzolotto, X, Burmeister, W.P, Peyrefitte, C.N, Iseni, F. | 登録日 | 2016-04-26 | 公開日 | 2016-09-14 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | 主引用文献 | Structural analysis of point mutations at the Vaccinia virus A20/D4 interface. Acta Crystallogr.,Sect.F, 72, 2016
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4OD8
| Crystal structure of the vaccinia virus DNA polymerase holoenzyme subunit D4 in complex with the A20 N-terminus | 分子名称: | DNA polymerase processivity factor component A20, GLYCEROL, SULFATE ION, ... | 著者 | Contesto-Richefeu, C, Tarbouriech, N, Brazzolotto, X, Burmeister, W.P, Iseni, F. | 登録日 | 2014-01-10 | 公開日 | 2014-03-26 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Crystal structure of the vaccinia virus DNA polymerase holoenzyme subunit d4 in complex with the a20 N-terminal domain. Plos Pathog., 10, 2014
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4ODA
| Crystal structure of the vaccinia virus DNA polymerase holoenzyme subunit D4 in complex with the A20 N-terminus | 分子名称: | DNA polymerase processivity factor component A20, GLYCEROL, SULFATE ION, ... | 著者 | Contesto-Richefeu, C, Tarbouriech, N, Brazzolotto, X, Burmeister, W.P, Iseni, F. | 登録日 | 2014-01-10 | 公開日 | 2014-03-26 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystal structure of the vaccinia virus DNA polymerase holoenzyme subunit d4 in complex with the a20 N-terminal domain. Plos Pathog., 10, 2014
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2INX
| Crystal Structure of Ketosteroid Isomerase D40N from Pseudomonas putida (pKSI) with bound 2,6-difluorophenol | 分子名称: | 2,6-DIFLUOROPHENOL, Steroid delta-isomerase | 著者 | Martinez Caaveiro, J.M, Pybus, B, Ringe, D, Petsko, G.A, Sigala, P, Kraut, D, Herschlag, D. | 登録日 | 2006-10-09 | 公開日 | 2007-10-23 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Testing geometrical discrimination within an enzyme active site: constrained hydrogen bonding in the ketosteroid isomerase oxyanion hole. J.Am.Chem.Soc., 130, 2008
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1OVK
| T4 Lysozyme Cavity Mutant L99A/M102Q Bound with N-Allyl-Aniline | 分子名称: | BETA-MERCAPTOETHANOL, CHLORIDE ION, Lysozyme, ... | 著者 | Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K. | 登録日 | 2003-03-26 | 公開日 | 2004-04-06 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Testing a Flexible-receptor Docking Algorithm in a Model Binding Site J.Mol.Biol., 337, 2004
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1OVH
| T4 Lysozyme Cavity Mutant L99A/M102Q Bound With 2-Chloro-6-Methyl-Aniline | 分子名称: | 2-CHLORO-6-METHYL-ANILINE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | 著者 | Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K. | 登録日 | 2003-03-26 | 公開日 | 2004-04-06 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Testing a Flexible-receptor Docking Algorithm in a Model Binding Site J.Mol.Biol., 337, 2004
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1OWY
| T4 Lysozyme Cavity Mutant L99A/M102Q Bound With 2-Propyl-Aniline | 分子名称: | 2-PROPYL-ANILINE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | 著者 | Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K. | 登録日 | 2003-03-31 | 公開日 | 2004-04-13 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Testing a Flexible-receptor Docking Algorithm in a Model Binding Site J.Mol.Biol., 337, 2004
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1OV5
| T4 Lysozyme Cavity Mutant L99a/M102Q Bound With 2-Allylphenol | 分子名称: | 2-ALLYLPHENOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | 著者 | Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K. | 登録日 | 2003-03-25 | 公開日 | 2004-04-06 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Testing a Flexible-receptor Docking Algorithm in a Model Binding Site J.Mol.Biol., 337, 2004
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1OV7
| T4 Lysozyme Cavity Mutant L99A/M102Q Bound with 2-Allyl-6-Methyl-Phenol | 分子名称: | 2-ALLYL-6-METHYL-PHENOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | 著者 | Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K. | 登録日 | 2003-03-25 | 公開日 | 2004-04-06 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Testing a Flexible-receptor Docking Algorithm in a Model Binding Site J.Mol.Biol., 337, 2004
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1OVJ
| T4 Lysozyme Cavity Mutant L99A/M102Q Bound with 3-Fluoro-2-Methyl_Aniline | 分子名称: | 3-FLUORO-2-METHYL-ANILINE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | 著者 | Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K. | 登録日 | 2003-03-26 | 公開日 | 2004-04-06 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Testing a Flexible-receptor Docking Algorithm in a Model Binding Site J.Mol.Biol., 337, 2004
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1OWZ
| T4 Lysozyme Cavity Mutant L99A/M102Q Bound With 4-FluoroPhenEthyl Alcohol | 分子名称: | 4-FLUOROPHENETHYL ALCOHOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | 著者 | Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K. | 登録日 | 2003-03-31 | 公開日 | 2004-04-13 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Testing a Flexible-receptor Docking Algorithm in a Model Binding Site J.Mol.Biol., 337, 2004
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3CPO
| Crystal structure of ketosteroid isomerase D40N with bound 2-fluorophenol | 分子名称: | 2-fluorophenol, Delta(5)-3-ketosteroid isomerase | 著者 | Caaveiro, J.M.M, Pybus, B, Ringe, D, Petsko, G. | 登録日 | 2008-03-31 | 公開日 | 2008-09-23 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | 主引用文献 | Testing geometrical discrimination within an enzyme active site: constrained hydrogen bonding in the ketosteroid isomerase oxyanion hole J.Am.Chem.Soc., 130, 2008
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5U5U
| CcP gateless cavity | 分子名称: | ISONICOTINAMIDINE, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase | 著者 | Fischer, M, Shoichet, B.K. | 登録日 | 2016-12-07 | 公開日 | 2017-02-01 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | 主引用文献 | Testing inhomogeneous solvation theory in structure-based ligand discovery. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5U5Y
| CcP gateless cavity | 分子名称: | 2-methylimidazo[1,2-a]pyridin-3-amine, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase | 著者 | Fischer, M, Shoichet, B.K. | 登録日 | 2016-12-07 | 公開日 | 2017-02-01 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Testing inhomogeneous solvation theory in structure-based ligand discovery. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5U60
| CcP gateless cavity | 分子名称: | (4E)-4-hydrazinylidene-1,4-dihydroquinoline, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase | 著者 | Fischer, M, Shoichet, B.K. | 登録日 | 2016-12-07 | 公開日 | 2017-02-01 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Testing inhomogeneous solvation theory in structure-based ligand discovery. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5UG2
| CcP gateless cavity | 分子名称: | 6-fluoro-2-methylimidazo[1,2-a]pyridin-3-amine, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase | 著者 | Stein, R.M, Fischer, M, Shoichet, B.K. | 登録日 | 2017-01-06 | 公開日 | 2017-02-01 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | 主引用文献 | Testing inhomogeneous solvation theory in structure-based ligand discovery. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5U5W
| CcP gateless cavity | 分子名称: | 3-methylquinolin-4-amine, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase | 著者 | Fischer, M, Shoichet, B.K. | 登録日 | 2016-12-07 | 公開日 | 2017-02-01 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.29 Å) | 主引用文献 | Testing inhomogeneous solvation theory in structure-based ligand discovery. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5U5X
| CcP gateless cavity | 分子名称: | PROTOPORPHYRIN IX CONTAINING FE, Peroxidase, THIOPHENE-3-CARBOXIMIDAMIDE | 著者 | Fischer, M, Shoichet, B.K. | 登録日 | 2016-12-07 | 公開日 | 2017-02-01 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Testing inhomogeneous solvation theory in structure-based ligand discovery. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6CPB
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2LDX
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7LXL
| Crystal structure of human CYP3A4 bound to the testosterone dimer | 分子名称: | 17alpha-hydroxy-7alpha-[(2Z)-4-(17beta-hydroxy-3-oxo-8alpha-androst-4-en-7beta-yl)but-2-en-1-yl]-8alpha,10alpha,13alpha,14beta-androst-4-en-3-one, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Sevrioukova, I.F. | 登録日 | 2021-03-04 | 公開日 | 2021-04-28 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Innovative C 2 -symmetric testosterone and androstenedione dimers: Design, synthesis, biological evaluation on prostate cancer cell lines and binding study to recombinant CYP3A4. Eur.J.Med.Chem., 220, 2021
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5GT3
| Crystal structure of nucleosome particle in the presence of human testis-specific histone variant, hTh2b | 分子名称: | CHLORIDE ION, DNA (146-MER), Histone H2A type 1-D, ... | 著者 | Kumarevel, T, Sivaraman, P. | 登録日 | 2016-08-18 | 公開日 | 2017-02-15 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.91 Å) | 主引用文献 | Structural analyses of the nucleosome complexes with human testis-specific histone variants, hTh2a and hTh2b Biophys. Chem., 221, 2017
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5GSU
| Crystal structure of nucleosome core particle consisting of human testis-specific histone variants, Th2A and Th2B | 分子名称: | CHLORIDE ION, DNA (146-MER), Histone H2A type 1-A, ... | 著者 | Kumarevel, T, Sivaraman, P. | 登録日 | 2016-08-17 | 公開日 | 2017-02-15 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Structural analyses of the nucleosome complexes with human testis-specific histone variants, hTh2a and hTh2b Biophys. Chem., 221, 2017
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