PDB: 17019 resultsInfo pagesStatus searchChemie searchBIRD

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4JMZ	Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with N-methyl-1H-benzimidazol-2-amine Descriptor: Cytochrome c peroxidase, N-methyl-1H-benzimidazol-2-amine, PROTOPORPHYRIN IX CONTAINING FE Authors: Barelier, S, Fischer, M. Deposit date: 2013-03-14 Release date: 2013-05-01 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.82 Å) Cite: Roles for ordered and bulk solvent in ligand recognition and docking in two related cavities. Plos One, 8, 2013
5XC0	Crystal structure of an aromatic mutant (W6A) of an alkali thermostable GH10 Xylanase from Bacillus sp. NG-27 Descriptor: Beta-xylanase, MAGNESIUM ION, SODIUM ION Authors: Bansia, H, Mahanta, P, Ramakumar, S. Deposit date: 2017-03-21 Release date: 2018-03-28 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.32 Å) Cite: Small Glycols Discover Cryptic Pockets on Proteins for Fragment-Based Approaches. J.Chem.Inf.Model., 2021
5I9T	Caspase 3 V266C Descriptor: ACE-ASP-GLU-VAL-ASK, ACETATE ION, Caspase-3 Authors: Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. Deposit date: 2016-02-20 Release date: 2016-10-26 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection. Proc.Natl.Acad.Sci.USA, 113, 2016
5IAR	Caspase 3 V266W Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACE-ASP-GLU-VAL-ASK, Caspase-3, ... Authors: Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. Deposit date: 2016-02-21 Release date: 2016-10-26 Method: X-RAY DIFFRACTION (1.76 Å) Cite: Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection. Proc.Natl.Acad.Sci.USA, 113, 2016
3IMX	Crystal Structure of human glucokinase in complex with a synthetic activator Descriptor: (2R)-3-cyclopentyl-N-(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}propanamide, Glucokinase, SODIUM ION, ... Authors: Stams, T, Vash, B. Deposit date: 2009-08-11 Release date: 2009-10-06 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2 Å) Cite: Investigation of functionally liver selective glucokinase activators for the treatment of type 2 diabetes. J.Med.Chem., 52, 2009
5IAK	Caspase 3 V266S Descriptor: ACE-ASP-GLU-VAL-ASK, Caspase-3, SODIUM ION Authors: Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. Deposit date: 2016-02-21 Release date: 2016-10-26 Method: X-RAY DIFFRACTION (1.82 Å) Cite: Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection. Proc.Natl.Acad.Sci.USA, 113, 2016
3IT3	Crystal Structure Francisella tularensis histidine acid phosphatase D261A mutant complexed with substrate 3'-AMP Descriptor: Acid phosphatase, [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate Authors: Singh, H, Felts, R.L, Reilly, T.J, Tanner, J.J. Deposit date: 2009-08-27 Release date: 2009-11-10 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Crystal Structures of the histidine acid phosphatase from Francisella tularensis provide insight into substrate recognition. J.Mol.Biol., 394, 2009
5IAN	Caspase 3 V266N Descriptor: ACE-ASP-GLU-VAL-ASK, Caspase-3, LEU-SER-SER, ... Authors: Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. Deposit date: 2016-02-21 Release date: 2016-10-26 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection. Proc.Natl.Acad.Sci.USA, 113, 2016
5IBR	Caspase 3 V266K Descriptor: ACE-ASP-GLU-VAL-ASK, Caspase-3 Authors: Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. Deposit date: 2016-02-22 Release date: 2016-10-26 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (1.74 Å) Cite: Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection. Proc.Natl.Acad.Sci.USA, 113, 2016
5XO1	Crystal structure of the isochorismatase domain of VabB from Vibrio anguillarum 775 Descriptor: Isochorismate lyase Authors: Ma, Q, Du, J. Deposit date: 2017-05-25 Release date: 2018-05-30 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.23 Å) Cite: Crystal structures of the isochorismatase domains from Vibrio anguillarum. Biochem.Biophys.Res.Commun., 490, 2017
5IAE	Caspase 3 V266F Descriptor: ACE-ASP-GLU-VAL-ASK, ACETATE ION, CHLORIDE ION, ... Authors: Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. Deposit date: 2016-02-21 Release date: 2016-10-26 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection. Proc.Natl.Acad.Sci.USA, 113, 2016
5IAG	Caspase 3 V266Q Descriptor: ACE-ASP-GLU-VAL-ASK, ASP-ASP-ASP-MET, Caspase-3 Authors: Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. Deposit date: 2016-02-21 Release date: 2016-10-26 Method: X-RAY DIFFRACTION (1.98 Å) Cite: Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection. Proc.Natl.Acad.Sci.USA, 113, 2016
5IUZ	STRUCTURE OF P450 2B4 F202W MUTANT (CYMAL-5) Descriptor: 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE Authors: Jang, H.-H, Halpert, J.R, Shah, M.B. Deposit date: 2016-03-18 Release date: 2016-06-08 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.73 Å) Cite: Effect of detergent binding on cytochrome P450 2B4 structure as analyzed by X-ray crystallography and deuterium-exchange mass spectrometry. Biophys.Chem., 216, 2016
5YFB	Crystal structure of a new DPP III family member Descriptor: 1,2-ETHANEDIOL, Dipeptidyl peptidase 3, GLYCEROL, ... Authors: Xu, T, Sun, Z, Liu, J. Deposit date: 2017-09-20 Release date: 2018-01-03 Last modified: 2024-03-27 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Crystal structures of Aflatoxin-oxidase from Armillariella tabescens reveal a dual activity enzyme. Biochem. Biophys. Res. Commun., 494, 2017
5Y62	YfiR complexed with GMP Descriptor: GUANOSINE-5'-MONOPHOSPHATE, YfiR Authors: Zhou, L, Xu, M, Jiang, T. Deposit date: 2017-08-10 Release date: 2017-09-20 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (3 Å) Cite: Structural insights into the functional role of GMP in modulating the YfiBNR system Biochem. Biophys. Res. Commun., 493, 2017
3IT0	Crystal Structure Francisella tularensis histidine acid phosphatase complexed with phosphate Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, Acid phosphatase, PENTAETHYLENE GLYCOL, ... Authors: Singh, H, Felts, R.L, Reilly, T.J, Tanner, J.J. Deposit date: 2009-08-27 Release date: 2009-11-10 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.692 Å) Cite: Crystal Structures of the histidine acid phosphatase from Francisella tularensis provide insight into substrate recognition. J.Mol.Biol., 394, 2009
2VCQ	Complex structure of prostaglandin D2 synthase at 1.95A. Descriptor: 3-phenyl-5-(1H-pyrazol-3-yl)isoxazole, GLUTATHIONE, GLUTATHIONE-REQUIRING PROSTAGLANDIN D SYNTHASE Authors: Hohwy, M, Spadola, L, Lundquist, B, von Wachenfeldt, K, Persdotter, S, Hawtin, P, Dahmen, J, Groth-Clausen, I, Folmer, R.H.A, Edman, K. Deposit date: 2007-09-26 Release date: 2008-04-15 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Novel Prostaglandin D Synthase Inhibitors Generated by Fragment-Based Drug Design. J.Med.Chem., 51, 2008
3IT2	Crystal structure of ligand-free Francisella tularensis histidine acid phosphatase Descriptor: ACETATE ION, Acid phosphatase Authors: Singh, H, Felts, R.L, Reilly, T.J, Tanner, J.J. Deposit date: 2009-08-27 Release date: 2009-11-10 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.838 Å) Cite: Crystal Structures of the histidine acid phosphatase from Francisella tularensis provide insight into substrate recognition. J.Mol.Biol., 394, 2009
5IUT	STRUCTURE OF P450 2B4 F202W MUTANT Descriptor: 3,6,9,12,15,18-hexaoxahexacosan-1-ol, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE Authors: Jang, H.-H, Halpert, J.R, Shah, M.B. Deposit date: 2016-03-18 Release date: 2016-06-08 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.34 Å) Cite: Effect of detergent binding on cytochrome P450 2B4 structure as analyzed by X-ray crystallography and deuterium-exchange mass spectrometry. Biophys.Chem., 216, 2016
3KD5	Closed ternary complex of an RB69 gp43 fingers domain mutant complexed with an acyclic GMP terminated primer template pair and phosphonoformic acid. Descriptor: DNA (5'-D(*CP*GP*TP*CP*TP*TP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*CP*G)-3'), DNA (5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*AP*AP*(4DG))-3'), DNA polymerase, ... Authors: Zahn, K.E, Doublie, S. Deposit date: 2009-10-22 Release date: 2011-04-13 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.69 Å) Cite: Phosphonoformic acid inhibits viral replication by trapping the closed form of the DNA polymerase. J.Biol.Chem., 286, 2011
3KDK	Structure of the C-terminal domain of Bacillus subtilis MutL bound to Zn2+ Descriptor: DNA mismatch repair protein mutL, ZINC ION Authors: Guarne, A, Pillon, M.C. Deposit date: 2009-10-23 Release date: 2010-07-21 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.26 Å) Cite: Structure of the endonuclease domain of MutL: unlicensed to cut. Mol.Cell, 39, 2010
3KDG	C-terminal domain of Bacillus subtilis MutL crystal form II Descriptor: DNA mismatch repair protein mutL Authors: Guarne, A, Pillon, M.C. Deposit date: 2009-10-22 Release date: 2010-07-21 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2 Å) Cite: Structure of the endonuclease domain of MutL: unlicensed to cut. Mol.Cell, 39, 2010
5WLJ	De Novo Design of Polynuclear Transition Metal Clusters in Helix Bundles-4EH1 Descriptor: De Novo Metal Binding Helical Bundle, ZINC ION Authors: Zhang, S.-Q, Liu, L, DeGrado, W.F. Deposit date: 2017-07-27 Release date: 2018-01-03 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.6 Å) Cite: De Novo Design of Tetranuclear Transition Metal Clusters Stabilized by Hydrogen-Bonded Networks in Helical Bundles. J. Am. Chem. Soc., 140, 2018
5WLM	De Novo Design of Polynuclear Transition Metal Clusters in Helix Bundles-4DH2 Descriptor: Helical Bundle 4DH2, ZINC ION Authors: Zhang, S.-Q, Liu, L, DeGrado, W.F. Deposit date: 2017-07-27 Release date: 2018-01-03 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.95 Å) Cite: De Novo Design of Tetranuclear Transition Metal Clusters Stabilized by Hydrogen-Bonded Networks in Helical Bundles. J. Am. Chem. Soc., 140, 2018
5YHJ	Cytochrome P450EX alpha (CYP152N1) wild-type with myristic acid Descriptor: Cytochrome P450, MYRISTIC ACID, PROTOPORPHYRIN IX CONTAINING FE Authors: Onoda, H, Shoji, O, Suzuki, K, Sugimoto, H, Shiro, Y, Watanabe, Y. Deposit date: 2017-09-28 Release date: 2017-12-06 Last modified: 2024-03-27 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Alpha-Oxidative Decarboxylation of Fatty Acids Catalysed by Cytochrome P450 Peroxygenases Yielding Shorter-Alkyl-Chain Fatty Acids Catalysis Science And Technology, 2017

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