PDB: 66478 resultsInfo pagesStatus searchChemie searchBIRD

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4S1Y	X-ray structure of human serum albumin complexed with cisplatin Descriptor: Cisplatin, Serum albumin Authors: Merlino, A. Deposit date: 2015-01-16 Release date: 2015-04-29 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (3.16 Å) Cite: Cisplatin binding to human serum albumin: a structural study. Chem.Commun.(Camb.), 51, 2015
4RNC	Crystal structure of an esterase RhEst1 from Rhodococcus sp. ECU1013 Descriptor: Esterase, PHOSPHATE ION Authors: Dou, S, Kong, X.D, Xu, J.H, Zhou, J. Deposit date: 2014-10-23 Release date: 2015-10-28 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Substrate channel evolution of an esterase for the synthesis of Cilastatin CATALYSIS SCIENCE AND TECHNOLOGY, 5, 2015
4OOK	Third Metal bound M.tuberculosis methionine aminopeptidase Descriptor: COBALT (II) ION, Methionine aminopeptidase 2, SODIUM ION Authors: Reddi, R, Addlagatta, A. Deposit date: 2014-02-03 Release date: 2015-02-04 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Selective targeting of the conserved active site cysteine of Mycobacterium tuberculosis methionine aminopeptidase with electrophilic reagents Febs J., 281, 2014
4OOT	X-ray structure of the protein-gold adduct formed upon reaction of Aubipic with hen egg white lysozyme Descriptor: 1,2-ETHANEDIOL, GOLD ION, Lysozyme C, ... Authors: Merlino, A. Deposit date: 2014-02-04 Release date: 2014-12-17 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Protein Recognition of Gold-Based Drugs: 3D Structure of the Complex Formed When Lysozyme Reacts with Aubipy(c.). ACS Med Chem Lett, 5, 2014
4OVF	E. coli sliding clamp in complex with (R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid Descriptor: (2R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid, CALCIUM ION, CHLORIDE ION, ... Authors: Yin, Z, Oakley, A.J. Deposit date: 2014-02-21 Release date: 2014-03-05 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.05 Å) Cite: Bacterial Sliding Clamp Inhibitors that Mimic the Sequential Binding Mechanism of Endogenous Linear Motifs. J.Med.Chem., 58, 2015
4K3P	E. coli sliding clamp in complex with AcQLALF Descriptor: (ACE)QLALF, 1,2-ETHANEDIOL, CALCIUM ION, ... Authors: Yin, Z, Oakley, A.J. Deposit date: 2013-04-11 Release date: 2013-05-01 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.15 Å) Cite: Structural and Thermodynamic Dissection of Linear Motif Recognition by the E. coli Sliding Clamp J.Med.Chem., 56, 2013
4KO7	Investigating the functional significance of the interlocked pair structural determinants in Pseudomonas aeruginosa azurin (V31I/W48F/V95I) Descriptor: Azurin, COPPER (II) ION Authors: Inampudi, K.K, Meng, W, Tobin, P.H, Wilson, C.J. Deposit date: 2013-05-11 Release date: 2014-05-14 Last modified: 2019-07-17 Method: X-RAY DIFFRACTION (2.07 Å) Cite: Investigating the functional significance of the interlocked pair structural determinants in Pseudomonas aeruginosa azurin (V31I/W48F/V95I) To be Published
2Z2F	X-ray Crystal Structure of Bovine Stomach Lysozyme Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Lysozyme C-2, SODIUM ION Authors: Akieda, D, Nonaka, Y, Watanabe, N, Tanaka, I, Kamiya, M, Aizawa, T, Nitta, K, Demura, M, Kawano, K. Deposit date: 2007-05-21 Release date: 2008-05-27 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Stability of Bovine Stomach Lysozyme in Acidic Condition To be Published
2Z5F	Human sulfotransferase Sult1b1 in complex with PAP Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase family cytosolic 1B member 1 Authors: Dombrovski, L, Pegasova, T, Wu, H, Loppnau, P, Edwards, A.M, Arrowsmith, C.H, Sundstrom, M, Plotnikov, A.N, Bochkarev, A, Structural Genomics Consortium (SGC) Deposit date: 2007-07-07 Release date: 2007-08-14 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Crystal structures of human sulfotransferases SULT1B1 and SULT1C1 complexed with the cofactor product adenosine-3'-5'-diphosphate (PAP) Proteins, 64, 2006
3MOU	Characterization of the Inhibitor Binding Site of the Dehaloperoxidase-Hemoglobin from Amphitrite ornata using High-Pressure Xenon Derivatization Descriptor: Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... Authors: de Serrano, V.S, Franzen, S. Deposit date: 2010-04-23 Release date: 2011-04-20 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.711 Å) Cite: Characterization of the Inhibitor Binding Site of the Dehaloperoxidase-Hemoglobin from Amphitrite ornata using High-Pressure Xenon Derivatization To be Published
4K3R	E. coli sliding clamp in complex with AcQLDLA Descriptor: (ACE)QLDLA, CALCIUM ION, CHLORIDE ION, ... Authors: Yin, Z, Oakley, A.J. Deposit date: 2013-04-11 Release date: 2013-05-01 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.86 Å) Cite: Structural and Thermodynamic Dissection of Linear Motif Recognition by the E. coli Sliding Clamp J.Med.Chem., 56, 2013
2Z2E	Crystal Structure of Canine Milk Lysozyme Stabilized against Non-enzymatic Deamidation Descriptor: Lysozyme C, milk isozyme, SULFATE ION Authors: Nonaka, Y, Akieda, D, Watanabe, N, Tanaka, I, Kamiya, M, Aizawa, T, Nitta, K, Demura, M, Kawano, K. Deposit date: 2007-05-21 Release date: 2007-11-27 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.01 Å) Cite: Spontaneous asparaginyl deamidation of canine milk lysozyme under mild conditions Proteins, 72, 2008
4KJV	Crystal structure of XIAP-Bir2 with a bound spirocyclic benzoxazepinone inhibitor. Descriptor: 6-methoxy-5-({(3S)-3-[(N-methyl-L-alanyl)amino]-4-oxo-2',3,3',4,5',6'-hexahydro-5H-spiro[1,5-benzoxazepine-2,4'-pyran]-5-yl}methyl)naphthalene-2-carboxylic acid, E3 ubiquitin-protein ligase XIAP, ZINC ION Authors: Lukacs, C.M, Janson, C.A. Deposit date: 2013-05-03 Release date: 2013-11-27 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Optimization of Benzodiazepinones as Selective Inhibitors of the X-Linked Inhibitor of Apoptosis Protein (XIAP) Second Baculovirus IAP Repeat (BIR2) Domain. J.Med.Chem., 56, 2013
3N0D	Crystal structure of WDR5 mutant (W330F) Descriptor: WD repeat-containing protein 5 Authors: Wu, Y.-D, Wu, X.-H, Gao, Y, Chen, R.-C. Deposit date: 2010-05-13 Release date: 2010-10-20 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.3 Å) Cite: The Effect of Asp-His-Ser/Thr-Trp Tetrad on the Thermostability of WD40-Repeat Proteins Biochemistry, 49, 2010
3N3G	4-(3-Trifluoromethylphenyl)-pyrimidine-2-carbonitrile as cathepsin S inhibitors: N3, not N1 is critically important Descriptor: (E)-1-(6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}pyridin-2-yl)methanimine, 6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}pyridine-2-carbonitrile, Cathepsin S, ... Authors: Fradera, X, Uitdehaag, J.C.M, van Zeeland, M. Deposit date: 2010-05-20 Release date: 2010-07-14 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (1.6 Å) Cite: 4-(3-Trifluoromethylphenyl)-pyrimidine-2-carbonitrile as cathepsin S inhibitors: N3, not N1 is critically important. Bioorg.Med.Chem.Lett., 20, 2010
3MXX	Crystal structure of WDR5 mutant (S62A) Descriptor: WD repeat-containing protein 5 Authors: Wu, Y.-D, Wu, X.-H, Gao, Y, Chen, R.-C. Deposit date: 2010-05-08 Release date: 2010-10-20 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.05 Å) Cite: The Effect of Asp-His-Ser/Thr-Trp Tetrad on the Thermostability of WD40-Repeat Proteins Biochemistry, 49, 2010
3MX4	DNA binding and cleavage by the GIY-YIG endonuclease R.Eco29KI inactive variant E142Q Descriptor: DNA (5'-D(P*CP*GP*GP*GP*AP*GP*GP*CP*CP*CP*GP*CP*GP*GP*GP*CP*CP*GP*CP*CP*GP*C)-3'), DNA (5'-D(P*GP*CP*GP*GP*CP*GP*GP*CP*CP*CP*GP*CP*GP*GP*GP*CP*CP*TP*CP*CP*CP*G)-3'), Eco29kIR Authors: Mak, A.N.S, Lambert, A.R, Stoddard, B.L. Deposit date: 2010-05-06 Release date: 2010-09-08 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Folding, DNA Recognition, and Function of GIY-YIG Endonucleases: Crystal Structures of R.Eco29kI. Structure, 18, 2010
6RPS	X-ray crystal structure of carbonic anhydrase XII complexed with a theranostic monoclonal antibody fragment Descriptor: ACETATE ION, CADMIUM ION, CHLORIDE ION, ... Authors: Alterio, V, Esposito, D, De Simone, G. Deposit date: 2019-05-14 Release date: 2019-11-13 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.79 Å) Cite: Biochemical and Structural Insights into Carbonic Anhydrase XII/Fab6A10 Complex. J.Mol.Biol., 431, 2019
3N4L	BACE-1 in complex with ELN380842 Descriptor: Beta-secretase 1, N-[(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-({1-[3-(1H-pyrazol-1-yl)phenyl]cyclohexyl}amino)propyl]acetamide Authors: Yao, N.H. Deposit date: 2010-05-21 Release date: 2010-11-24 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Improving the permeability of the hydroxyethylamine BACE-1 inhibitors: structure-activity relationship of P2' substituents. Bioorg.Med.Chem.Lett., 20, 2010
4LBF	Crystal structure of HUMAN ALPHA-DEFENSIN 1 (HNP1) I20A/L25A mutant Descriptor: GLYCEROL, Neutrophil defensin 1 Authors: Tolbert, W.D, Wu, X, Pazgier, M. Deposit date: 2013-06-20 Release date: 2013-11-27 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Single, Double and Quadruple Alanine Substitutions at Oligomeric Interfaces Identify Hydrophobicity as the Key Determinant of Human Neutrophil Alpha Defensin HNP1 Function. Plos One, 8, 2013
3N0E	Crystal structure of WDR5 mutant (W330Y) Descriptor: WD repeat-containing protein 5 Authors: Wu, Y.-D, Wu, X.-H, Gao, Y, Chen, R.-C. Deposit date: 2010-05-13 Release date: 2010-10-20 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.5 Å) Cite: The Effect of Asp-His-Ser/Thr-Trp Tetrad on the Thermostability of WD40-Repeat Proteins Biochemistry, 49, 2010
4MFF	Structure of human DNA polymerase beta complexed with O6MG in the template base paired with incoming non-hydrolyzable TTP Descriptor: 5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]thymidine, DNA polymerase beta, MAGNESIUM ION, ... Authors: Koag, M.C, Min, K, Monzingo, A.F, Lee, S. Deposit date: 2013-08-27 Release date: 2014-04-16 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.55 Å) Cite: Metal-dependent conformational activation explains highly promutagenic replication across O6-methylguanine by human DNA polymerase beta. J.Am.Chem.Soc., 136, 2014
4MFC	Structure of human DNA polymerase beta complexed with O6MG in the template base paired with incoming non-hydrolyzable CTP Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA polymerase beta, MAGNESIUM ION, ... Authors: Koag, M.C, Min, K, Monzingo, A.F, Lee, S. Deposit date: 2013-08-27 Release date: 2014-04-16 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.13 Å) Cite: Metal-dependent conformational activation explains highly promutagenic replication across O6-methylguanine by human DNA polymerase beta. J.Am.Chem.Soc., 136, 2014
4MGV	Crystal structure of FK506 binding domain of plasmodium VIVAX FKBP35 In complex with inhibitor D5 Descriptor: 70 kDa peptidylprolyl isomerase, putative, N'-(1-adamantylcarbonyl)pyridine-4-carbohydrazide Authors: Rajan, S, Harikishore, A, Yoon, H.S. Deposit date: 2013-08-29 Release date: 2013-12-04 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.72 Å) Cite: Adamantyl derivative as a potent inhibitor of Plasmodium FK506 binding protein 35. Acs Med.Chem.Lett., 4, 2013
3N9K	F229A/E292S Double Mutant of Exo-beta-1,3-glucanase from Candida albicans in Complex with Laminaritriose at 1.7 A Descriptor: CALCIUM ION, Glucan 1,3-beta-glucosidase, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose, ... Authors: Nakatani, Y, Cutfield, S.M, Cutfield, J.F. Deposit date: 2010-05-30 Release date: 2010-09-15 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Carbohydrate binding sites in Candida albicans exo-beta-1,3-glucanase and the role of the Phe-Phe 'clamp' at the active site entrance Febs J., 277, 2010

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