8ID1
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7CL8
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6A7J
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![BU of 6a7j by Molmil](/molmil-images/mine/6a7j) | Testerone bound CYP154C4 from Streptomyces sp. ATCC 11861 | Descriptor: | Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, TESTOSTERONE | Authors: | Lee, C.W, Lee, J.H. | Deposit date: | 2018-07-03 | Release date: | 2019-01-16 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Characterization of two steroid hydroxylases from different Streptomyces spp. and their ligand-bound and -unbound crystal structures. Febs J., 286, 2019
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5JKR
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![BU of 5jkr by Molmil](/molmil-images/mine/5jkr) | vaccinia virus D4/A20(1-50)w43a mutant | Descriptor: | DNA polymerase processivity factor component A20, SULFATE ION, Uracil-DNA glycosylase | Authors: | Contesto-Richefeu, C, Tarbouriech, N, Brazzolotto, X, Burmeister, W.P, Peyrefitte, C.N, Iseni, F. | Deposit date: | 2016-04-26 | Release date: | 2016-09-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural analysis of point mutations at the Vaccinia virus A20/D4 interface. Acta Crystallogr.,Sect.F, 72, 2016
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5JKT
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![BU of 5jkt by Molmil](/molmil-images/mine/5jkt) | vaccinia virus D4 P173G mutant /A20(1-50) | Descriptor: | ACETATE ION, DNA polymerase processivity factor component A20, SULFATE ION, ... | Authors: | Contesto-Richefeu, C, Tarbouriech, N, Brazzolotto, X, Burmeister, W.P, Peyrefitte, C.N, Iseni, F. | Deposit date: | 2016-04-26 | Release date: | 2016-09-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Structural analysis of point mutations at the Vaccinia virus A20/D4 interface. Acta Crystallogr.,Sect.F, 72, 2016
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5JKS
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![BU of 5jks by Molmil](/molmil-images/mine/5jks) | vaccinia virus D4 R167A mutant /A20(1-50) | Descriptor: | DNA polymerase processivity factor component A20, SULFATE ION, Uracil-DNA glycosylase | Authors: | Contesto-Richefeu, C, Tarbouriech, N, Brazzolotto, X, Burmeister, W.P, Peyrefitte, C.N, Iseni, F. | Deposit date: | 2016-04-26 | Release date: | 2016-09-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Structural analysis of point mutations at the Vaccinia virus A20/D4 interface. Acta Crystallogr.,Sect.F, 72, 2016
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4OD8
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![BU of 4od8 by Molmil](/molmil-images/mine/4od8) | Crystal structure of the vaccinia virus DNA polymerase holoenzyme subunit D4 in complex with the A20 N-terminus | Descriptor: | DNA polymerase processivity factor component A20, GLYCEROL, SULFATE ION, ... | Authors: | Contesto-Richefeu, C, Tarbouriech, N, Brazzolotto, X, Burmeister, W.P, Iseni, F. | Deposit date: | 2014-01-10 | Release date: | 2014-03-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | 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
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![BU of 4oda by Molmil](/molmil-images/mine/4oda) | Crystal structure of the vaccinia virus DNA polymerase holoenzyme subunit D4 in complex with the A20 N-terminus | Descriptor: | DNA polymerase processivity factor component A20, GLYCEROL, SULFATE ION, ... | Authors: | Contesto-Richefeu, C, Tarbouriech, N, Brazzolotto, X, Burmeister, W.P, Iseni, F. | Deposit date: | 2014-01-10 | Release date: | 2014-03-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 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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3CPO
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![BU of 3cpo by Molmil](/molmil-images/mine/3cpo) | Crystal structure of ketosteroid isomerase D40N with bound 2-fluorophenol | Descriptor: | 2-fluorophenol, Delta(5)-3-ketosteroid isomerase | Authors: | Caaveiro, J.M.M, Pybus, B, Ringe, D, Petsko, G. | Deposit date: | 2008-03-31 | Release date: | 2008-09-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | 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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1OWZ
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![BU of 1owz by Molmil](/molmil-images/mine/1owz) | T4 Lysozyme Cavity Mutant L99A/M102Q Bound With 4-FluoroPhenEthyl Alcohol | Descriptor: | 4-FLUOROPHENETHYL ALCOHOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | Authors: | Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K. | Deposit date: | 2003-03-31 | Release date: | 2004-04-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Testing a Flexible-receptor Docking Algorithm in a Model Binding Site J.Mol.Biol., 337, 2004
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1OVH
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![BU of 1ovh by Molmil](/molmil-images/mine/1ovh) | T4 Lysozyme Cavity Mutant L99A/M102Q Bound With 2-Chloro-6-Methyl-Aniline | Descriptor: | 2-CHLORO-6-METHYL-ANILINE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | Authors: | Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K. | Deposit date: | 2003-03-26 | Release date: | 2004-04-06 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Testing a Flexible-receptor Docking Algorithm in a Model Binding Site J.Mol.Biol., 337, 2004
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1OWY
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![BU of 1owy by Molmil](/molmil-images/mine/1owy) | T4 Lysozyme Cavity Mutant L99A/M102Q Bound With 2-Propyl-Aniline | Descriptor: | 2-PROPYL-ANILINE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | Authors: | Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K. | Deposit date: | 2003-03-31 | Release date: | 2004-04-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Testing a Flexible-receptor Docking Algorithm in a Model Binding Site J.Mol.Biol., 337, 2004
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1OVJ
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![BU of 1ovj by Molmil](/molmil-images/mine/1ovj) | T4 Lysozyme Cavity Mutant L99A/M102Q Bound with 3-Fluoro-2-Methyl_Aniline | Descriptor: | 3-FLUORO-2-METHYL-ANILINE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | Authors: | Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K. | Deposit date: | 2003-03-26 | Release date: | 2004-04-06 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Testing a Flexible-receptor Docking Algorithm in a Model Binding Site J.Mol.Biol., 337, 2004
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1OVK
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![BU of 1ovk by Molmil](/molmil-images/mine/1ovk) | T4 Lysozyme Cavity Mutant L99A/M102Q Bound with N-Allyl-Aniline | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, Lysozyme, ... | Authors: | Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K. | Deposit date: | 2003-03-26 | Release date: | 2004-04-06 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Testing a Flexible-receptor Docking Algorithm in a Model Binding Site J.Mol.Biol., 337, 2004
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1OV7
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![BU of 1ov7 by Molmil](/molmil-images/mine/1ov7) | T4 Lysozyme Cavity Mutant L99A/M102Q Bound with 2-Allyl-6-Methyl-Phenol | Descriptor: | 2-ALLYL-6-METHYL-PHENOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | Authors: | Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K. | Deposit date: | 2003-03-25 | Release date: | 2004-04-06 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Testing a Flexible-receptor Docking Algorithm in a Model Binding Site J.Mol.Biol., 337, 2004
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1OV5
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![BU of 1ov5 by Molmil](/molmil-images/mine/1ov5) | T4 Lysozyme Cavity Mutant L99a/M102Q Bound With 2-Allylphenol | Descriptor: | 2-ALLYLPHENOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | Authors: | Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K. | Deposit date: | 2003-03-25 | Release date: | 2004-04-06 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Testing a Flexible-receptor Docking Algorithm in a Model Binding Site J.Mol.Biol., 337, 2004
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2INX
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![BU of 2inx by Molmil](/molmil-images/mine/2inx) | Crystal Structure of Ketosteroid Isomerase D40N from Pseudomonas putida (pKSI) with bound 2,6-difluorophenol | Descriptor: | 2,6-DIFLUOROPHENOL, Steroid delta-isomerase | Authors: | Martinez Caaveiro, J.M, Pybus, B, Ringe, D, Petsko, G.A, Sigala, P, Kraut, D, Herschlag, D. | Deposit date: | 2006-10-09 | Release date: | 2007-10-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | 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
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![BU of 5u5u by Molmil](/molmil-images/mine/5u5u) | CcP gateless cavity | Descriptor: | ISONICOTINAMIDINE, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase | Authors: | Fischer, M, Shoichet, B.K. | Deposit date: | 2016-12-07 | Release date: | 2017-02-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Testing inhomogeneous solvation theory in structure-based ligand discovery. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5U5Y
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![BU of 5u5y by Molmil](/molmil-images/mine/5u5y) | CcP gateless cavity | Descriptor: | 2-methylimidazo[1,2-a]pyridin-3-amine, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase | Authors: | Fischer, M, Shoichet, B.K. | Deposit date: | 2016-12-07 | Release date: | 2017-02-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Testing inhomogeneous solvation theory in structure-based ligand discovery. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5U60
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![BU of 5u60 by Molmil](/molmil-images/mine/5u60) | CcP gateless cavity | Descriptor: | (4E)-4-hydrazinylidene-1,4-dihydroquinoline, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase | Authors: | Fischer, M, Shoichet, B.K. | Deposit date: | 2016-12-07 | Release date: | 2017-02-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Testing inhomogeneous solvation theory in structure-based ligand discovery. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5UG2
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![BU of 5ug2 by Molmil](/molmil-images/mine/5ug2) | CcP gateless cavity | Descriptor: | 6-fluoro-2-methylimidazo[1,2-a]pyridin-3-amine, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase | Authors: | Stein, R.M, Fischer, M, Shoichet, B.K. | Deposit date: | 2017-01-06 | Release date: | 2017-02-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Testing inhomogeneous solvation theory in structure-based ligand discovery. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5U5W
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![BU of 5u5w by Molmil](/molmil-images/mine/5u5w) | CcP gateless cavity | Descriptor: | 3-methylquinolin-4-amine, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase | Authors: | Fischer, M, Shoichet, B.K. | Deposit date: | 2016-12-07 | Release date: | 2017-02-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Testing inhomogeneous solvation theory in structure-based ligand discovery. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5U5X
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![BU of 5u5x by Molmil](/molmil-images/mine/5u5x) | CcP gateless cavity | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Peroxidase, THIOPHENE-3-CARBOXIMIDAMIDE | Authors: | Fischer, M, Shoichet, B.K. | Deposit date: | 2016-12-07 | Release date: | 2017-02-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Testing inhomogeneous solvation theory in structure-based ligand discovery. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5U5Z
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![BU of 5u5z by Molmil](/molmil-images/mine/5u5z) | CcP gateless cavity | Descriptor: | 4-methyl-2-phenyl-1H-imidazole, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase | Authors: | Fischer, M, Shoichet, B.K. | Deposit date: | 2016-12-07 | Release date: | 2017-02-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Testing inhomogeneous solvation theory in structure-based ligand discovery. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5U5V
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![BU of 5u5v by Molmil](/molmil-images/mine/5u5v) | CcP gateless cavity | Descriptor: | 1H-benzimidazol-4-amine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Fischer, M, Shoichet, B.K. | Deposit date: | 2016-12-07 | Release date: | 2017-02-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.222 Å) | Cite: | Testing inhomogeneous solvation theory in structure-based ligand discovery. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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