PDB: 92869 resultsInfo pagesStatus searchChemie searchBIRD

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1OQG	Crystal structure of the D63E mutant of the N-lobe human transferrin Descriptor: CARBONATE ION, FE (III) ION, Serotransferrin Authors: Baker, H.M, He, Q.-Y, Brigg, S.K, Mason, A.B, Baker, E.N. Deposit date: 2003-03-09 Release date: 2003-03-18 Last modified: 2023-08-16 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structural and functional consequences of binding site mutations in transferrin: crystal structures of the Asp63Glu and Arg124Ala mutants of the N-lobe of human transferrin Biochemistry, 42, 2003
4Q7P	Crystal Structure of 1-hydroxy-3-methylpyridine-2(1H)-thione bound to hCAII Descriptor: 1-hydroxy-3-methylpyridine-2(1H)-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... Authors: Martin, D.P, Cohen, S.M. Deposit date: 2014-04-25 Release date: 2015-03-11 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Exploring the influence of the protein environment on metal-binding pharmacophores. J.Med.Chem., 57, 2014
4Q87	Crystal structure of 1-hydroxy-4-(trifluoromethyl)pyridine-2(1H)-thione bound to human carbonic anhydrase II Descriptor: 1-hydroxy-4-(trifluoromethyl)pyridine-2(1H)-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... Authors: Martin, D.P, Cohen, S.M. Deposit date: 2014-04-25 Release date: 2015-03-11 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Exploring the influence of the protein environment on metal-binding pharmacophores. J.Med.Chem., 57, 2014
4Q8Y	Crystal structure of 2-hydroxyisoquinoline-1(2H)-thione bound to human carbonic anhydrase II Descriptor: 2-hydroxyisoquinoline-1(2H)-thione, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ... Authors: Martin, D.P, Cohen, S.M. Deposit date: 2014-04-28 Release date: 2015-03-11 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Exploring the influence of the protein environment on metal-binding pharmacophores. J.Med.Chem., 57, 2014
4Q90	Crystal structure of 4-methylpyridine-2(1H)-thione bound to human carbonic anhydrase II Descriptor: 4-methylpyridine-2(1H)-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... Authors: Martin, D.P, Cohen, S.M. Deposit date: 2014-04-28 Release date: 2015-03-11 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.54 Å) Cite: Exploring the influence of the protein environment on metal-binding pharmacophores. J.Med.Chem., 57, 2014
1PHC	CRYSTAL STRUCTURE OF SUBSTRATE-FREE PSEUDOMONAS PUTIDA CYTOCHROME P450 Descriptor: CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE Authors: Poulos, T.L. Deposit date: 1992-07-27 Release date: 1993-10-31 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Crystal structure of substrate-free Pseudomonas putida cytochrome P-450. Biochemistry, 25, 1986
3A95	Crystal structure of hen egg white lysozyme soaked with 100mM RhCl3 at pH3.8 Descriptor: CHLORIDE ION, Lysozyme C, RHODIUM(III) ION, ... Authors: Abe, S, Koshiyama, T, Ohki, T, Hikage, T, Watanabe, Y, Ueno, T. Deposit date: 2009-10-15 Release date: 2010-03-09 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Elucidation of Metal-Ion Accumulation Induced by Hydrogen Bonds on Protein Surfaces by Using Porous Lysozyme Crystals Containing Rh(III) Ions as the Model Surfaces Chemistry, 16, 2010
2ZZ8	Crystal structure of LipL32, the most abundant surface protein of pathogenic leptospira spp Descriptor: LipL32 protein Authors: Vivian, J.P, Beddoe, T, Rossjohn, J. Deposit date: 2009-02-06 Release date: 2009-02-24 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.01 Å) Cite: Crystal structure of LipL32, the most abundant surface protein of pathogenic Leptospira spp. J.Mol.Biol., 387, 2009
1XVC	soluble methane monooxygenase hydroxylase: 8-bromooctanol soaked structure Descriptor: 1-BROMOPENTANE, BROMIDE ION, BROMOMETHANE, ... Authors: Sazinsky, M.H, Lippard, S.J. Deposit date: 2004-10-27 Release date: 2005-05-03 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (2 Å) Cite: Product Bound Structures of the Soluble Methane Monooxygenase Hydroxylase from Methylococcus capsulatus (Bath): Protein Motion in the Alpha-Subunit J.Am.Chem.Soc., 127, 2005
3IVB	Structures of SPOP-Substrate Complexes: Insights into Architectures of BTB-Cul3 Ubiquitin Ligases: SPOPMATH-MacroH2ASBCpep1 Descriptor: CHLORIDE ION, Core histone macro-H2A.1, Speckle-type POZ protein, ... Authors: Schulman, B.A, Miller, D.J, Calabrese, M.F, Seyedin, S. Deposit date: 2009-08-31 Release date: 2009-10-20 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Structure 9 To be Published
4LNS	Crystal structure of Asparagine synthetase A (AsnA) from Trypanosoma brucei Descriptor: Asparagine synthetase a Authors: Khan, S, Madhubala, R, Sharma, A. Deposit date: 2013-07-12 Release date: 2014-03-19 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Identification and functional characterization of a novel bacterial type asparagine synthetase A: a tRNA synthetase paralog from Leishmania donovani. J.Biol.Chem., 289, 2014
4Q99	Crystal structure of 2-mercapto-4-methylphenol bound to human carbonic anhydrase II Descriptor: 4-methyl-2-sulfanylphenol, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... Authors: Martin, D.P, Cohen, S.M. Deposit date: 2014-04-29 Release date: 2015-03-11 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Exploring the influence of the protein environment on metal-binding pharmacophores. J.Med.Chem., 57, 2014
2RJ1	B-specific alpha-1,3-galactosyltransferase (GTB) G176R mutant + UDP + H-antigen disaccharide Descriptor: GLYCEROL, Glycoprotein-fucosylgalactoside alpha-galactosyltransferase, MANGANESE (II) ION, ... Authors: Evans, S.V, Alfaro, J.A. Deposit date: 2007-10-14 Release date: 2008-02-05 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.55 Å) Cite: ABO(H) blood group A and B glycosyltransferases recognize substrate via specific conformational changes. J.Biol.Chem., 283, 2008
2CZU	lipocalin-type prostaglandin D synthase Descriptor: Prostaglandin-H2 D-isomerase Authors: Kumasaka, T, Irikura, D, Ago, H, Aritake, K, Yamamoto, M, Inoue, T, Miyano, M, Urade, Y, Hayaishi, O, RIKEN Structural Genomics/Proteomics Initiative (RSGI) Deposit date: 2005-07-17 Release date: 2006-10-03 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Structural basis of the catalytic mechanism operating in open-closed conformers of lipocalin type prostaglandin D synthase. J.Biol.Chem., 284, 2009
4Q7V	Crystal structure of 1-hydroxy-5-methylpyridine-2(1H)-thione bound to human carbonic anhydrase II Descriptor: 1-hydroxy-5-methylpyridine-2(1H)-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... Authors: Martin, D.P, Cohen, S.M. Deposit date: 2014-04-25 Release date: 2015-03-11 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Exploring the influence of the protein environment on metal-binding pharmacophores. J.Med.Chem., 57, 2014
4Q83	Crystal structure of 1-hydroxy-3-(trifluoromethyl)pyridine-2(1H)-thione bound to human carbonic anhydrase II Descriptor: 1-hydroxy-3-(trifluoromethyl)pyridine-2(1H)-thione, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ... Authors: Martin, D.P, Cohen, S.M. Deposit date: 2014-04-25 Release date: 2015-03-11 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Exploring the influence of the protein environment on metal-binding pharmacophores. J.Med.Chem., 57, 2014
4Q8X	Crystal structure of 1-hydroxy-5-(trifluoromethyl)pyridine-2(1H)-thione bound to human carbonic anhydrase II Descriptor: 1-hydroxy-5-(trifluoromethyl)pyridine-2(1H)-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... Authors: Martin, D.P, Cohen, S.M. Deposit date: 2014-04-28 Release date: 2015-03-11 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Exploring the influence of the protein environment on metal-binding pharmacophores. J.Med.Chem., 57, 2014
1VAQ	Crystal structure of the Mg2+-(chromomycin A3)2-d(TTGGCCAA)2 complex reveals GGCC binding specificity of the drug dimer chelated by metal ion Descriptor: (1S)-5-deoxy-1-O-methyl-1-C-[(2R,3S)-3,5,7,10-tetrahydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-D-xylulose, 2,6-dideoxy-4-O-methyl-alpha-D-galactopyranose-(1-3)-(2R,3R,6R)-6-hydroxy-2-methyltetrahydro-2H-pyran-3-yl acetate, 3-C-methyl-4-O-acetyl-alpha-L-Olivopyranose-(1-3)-(2R,5S,6R)-6-methyltetrahydro-2H-pyran-2,5-diol-(1-3)-(2R,5S,6R)-6-methyltetrahydro-2H-pyran-2,5-diol, ... Authors: Hou, M.H, Robinson, H, Gao, Y.G, Wang, A.H.-J. Deposit date: 2004-02-19 Release date: 2004-06-22 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal structure of the [Mg2+-(chromomycin A3)2]-d(TTGGCCAA)2 complex reveals GGCC binding specificity of the drug dimer chelated by a metal ion Nucleic Acids Res., 32, 2004
1JIP	P450eryF(A245S)/ketoconazole Descriptor: CIS-1-ACETYL-4-(4-((2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)PHENYL)PIPERAZINE, CYTOCHROME P450 107A1, PROTOPORPHYRIN IX CONTAINING FE Authors: Cupp-Vickery, J.R, Garcia, C, Hofacre, A, McGee-Estrada, K. Deposit date: 2001-07-02 Release date: 2001-10-17 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2 Å) Cite: Ketoconazole-induced conformational changes in the active site of cytochrome P450eryF. J.Mol.Biol., 311, 2001
2CZT	lipocalin-type prostaglandin D synthase Descriptor: Prostaglandin-H2 D-isomerase Authors: Kumasaka, T, Irikura, D, Ago, H, Aritake, K, Yamamoto, M, Inoue, T, Miyano, M, Urade, Y, Hayaishi, O, RIKEN Structural Genomics/Proteomics Initiative (RSGI) Deposit date: 2005-07-17 Release date: 2006-10-03 Last modified: 2021-11-10 Method: X-RAY DIFFRACTION (2 Å) Cite: Structural basis of the catalytic mechanism operating in open-closed conformers of lipocalin type prostaglandin D synthase. J.Biol.Chem., 284, 2009
3E6I	Human cytochrome P450 2E1 in complex with the inhibitor indazole Descriptor: 1H-indazole, Cytochrome P450 2E1, PROTOPORPHYRIN IX CONTAINING FE Authors: Porubsky, P.R, Meneely, K.M, Scott, E.E. Deposit date: 2008-08-15 Release date: 2008-09-23 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Structures of human cytochrome P450 2E1: insights into the binding of inhibitors and both small molecular weight and fatty acid substrates. J.Biol.Chem., 283, 2008
3EPJ	Crystallographic snapshots of eukaryotic dimethylallyltransferase acting on tRNA: Insight into tRNA recognition and reaction mechanism Descriptor: MAGNESIUM ION, ZINC ION, tRNA, ... Authors: Huang, R.H, Zhou, C. Deposit date: 2008-09-29 Release date: 2008-11-04 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (3.1 Å) Cite: Crystallographic snapshots of eukaryotic dimethylallyltransferase acting on tRNA: insight into tRNA recognition and reaction mechanism. Proc.Natl.Acad.Sci.Usa, 105, 2008
2MIN	NITROGENASE MOFE PROTEIN FROM AZOTOBACTER VINELANDII, OXIDIZED STATE Descriptor: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CALCIUM ION, FE(8)-S(7) CLUSTER, ... Authors: Peters, J.W, Stowell, M.H.B, Soltis, S.M, Day, M.W, Kim, J, Rees, D.C. Deposit date: 1996-12-20 Release date: 1997-04-01 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.03 Å) Cite: Redox-dependent structural changes in the nitrogenase P-cluster. Biochemistry, 36, 1997
2O1I	RH(BPY)2CHRYSI complexed to mismatched DNA Descriptor: 5'-D(*CP*GP*GP*AP*AP*AP*TP*TP*CP*CP*CP*G)-3', bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)[chrysene-5,6-diiminato(2-)-kappa~2~N,N']rhodium(4+) Authors: Pierre, V.C, Kaiser, J.T, Barton, J.K. Deposit date: 2006-11-28 Release date: 2007-01-09 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.1 Å) Cite: Insights into finding a mismatch through the structure of a mispaired DNA bound by a rhodium intercalator. Proc.Natl.Acad.Sci.Usa, 104, 2007
4MEV	Crystal structure of a TRAP periplasmic solute binding protein from Rhodoferax ferrireducens (Rfer_1840), Target EFI-510211, with bound malonate, space group I422 Descriptor: CITRIC ACID, MALONATE ION, TRAP dicarboxylate transporter-DctP subunit Authors: Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Zhao, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Jacobson, M.P, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) Deposit date: 2013-08-27 Release date: 2013-09-04 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry, 54, 2015

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