PDB: 17012 resultsInfo pagesStatus searchChemie searchBIRD

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8ID1	Crystal structure of N-Methyl-cis-4-hydroxy-L-proline dehydratase in Intestinibacter bartlettii Descriptor: (2S,4S)-1-methyl-4-oxidanyl-pyrrolidine-2-carboxylic acid, Formate C-acetyltransferase Authors: Jiang, L, Zhang, Y. Deposit date: 2023-02-11 Release date: 2024-03-27 Method: X-RAY DIFFRACTION (3.115 Å) Cite: CRYSTAL STRUCTURE OF cis-N-Methylhydroxy-L-proline dehydratase in Intestinibacter bartlettii To Be Published
7CL8	Testosterone-bound structure of CYP154C2 from Streptomyces avermitilis in an closed conformation Descriptor: Cytochrome P450 hydroxylase, DI(HYDROXYETHYL)ETHER, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Xu, L.H, Fushinobu, S. Deposit date: 2020-07-20 Release date: 2021-07-21 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.42 Å) Cite: Improved 2 alpha-Hydroxylation Efficiency of Steroids by CYP154C2 Using Structure-Guided Rational Design. Appl.Environ.Microbiol., 89, 2023
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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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