PDB: 92869 resultsInfo pagesStatus searchChemie searchBIRD

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3MSF	Crystal structure of Thermolysin in complex with Urea Descriptor: CALCIUM ION, GLYCEROL, Thermolysin, ... Authors: Behnen, J, Heine, A, Klebe, G. Deposit date: 2010-04-29 Release date: 2011-05-11 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.09 Å) Cite: Experimental and computational active site mapping as a starting point to fragment-based lead discovery. Chemmedchem, 7, 2012
2ANZ	cytochrome c peroxidase in complex with 2,6-diaminopyridine Descriptor: Cytochrome c peroxidase, mitochondrial, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Brenk, R, Vetter, S.W, Boyce, S.E, Goodin, D.B, Shoichet, B.K. Deposit date: 2005-08-11 Release date: 2006-04-11 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Probing molecular docking in a charged model binding site. J.Mol.Biol., 357, 2006
4MDN	Structure of a novel submicromolar MDM2 inhibitor Descriptor: 3-{(1S)-2-(tert-butylamino)-1-[{4-[(4-chlorobenzyl)oxy]benzyl}(formyl)amino]-2-oxoethyl}-6-chloro-1H-indole-2-carboxylic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION Authors: Bista, M, Popowicz, G, Holak, T.A. Deposit date: 2013-08-23 Release date: 2013-11-13 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.905 Å) Cite: Transient Protein States in Designing Inhibitors of the MDM2-p53 Interaction. Structure, 21, 2013
4LWV	The 2.3A Crystal Structure of Humanized Xenopus MDM2 with RO5545353 Descriptor: (2S,3R,4R,5R)-N-(4-carbamoyl-2-methoxyphenyl)-2'-chloro-4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-5'-oxo-4',5'-dihydrospiro[pyrrolidine-3,6'-thieno[3,2-b]pyrrole]-5-carboxamide, E3 ubiquitin-protein ligase Mdm2, SULFATE ION Authors: Graves, B.J, Lukacs, C, Janson, C.A. Deposit date: 2013-07-28 Release date: 2014-07-02 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.32 Å) Cite: Discovery of Potent and Orally Active p53-MDM2 Inhibitors RO5353 and RO2468 for Potential Clinical Development. ACS MED.CHEM.LETT., 5, 2014
6O7M	Nitrogenase MoFeP mutant F99Y from Azotobacter vinelandii in the indigo carmine oxidized state Descriptor: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (III) ION, FE(8)-S(7) CLUSTER, ... Authors: Rutledge, H.L, Williamson, L.M, Tezcan, F.A. Deposit date: 2019-03-08 Release date: 2019-06-19 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Redox-Dependent Metastability of the Nitrogenase P-Cluster. J.Am.Chem.Soc., 141, 2019
6O7O	Nitrogenase MoFeP mutant F99Y/S188A from Azotobacter vinelandii in the dithionite reduced state after redox cycling Descriptor: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (III) ION, FE(8)-S(7) CLUSTER, ... Authors: Rutledge, H.L, Tezcan, F.A. Deposit date: 2019-03-08 Release date: 2019-06-19 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.89 Å) Cite: Redox-Dependent Metastability of the Nitrogenase P-Cluster. J.Am.Chem.Soc., 141, 2019
5M35	The molecular tweezer CLR01 stabilizes a disordered protein-protein interface Descriptor: 14-3-3 protein zeta/delta, BENZOIC ACID, GLYCEROL, ... Authors: Bier, D, Ottmann, C. Deposit date: 2016-10-14 Release date: 2017-11-15 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.38 Å) Cite: The Molecular Tweezer CLR01 Stabilizes a Disordered Protein-Protein Interface. J. Am. Chem. Soc., 139, 2017
6O7L	Nitrogenase MoFeP mutant S188A from Azotobacter vinelandii in the dithionite reduced state after redox cycling Descriptor: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (III) ION, FE(8)-S(7) CLUSTER, ... Authors: Rutledge, H.L, Tezcan, F.A. Deposit date: 2019-03-08 Release date: 2019-06-19 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.26 Å) Cite: Redox-Dependent Metastability of the Nitrogenase P-Cluster. J.Am.Chem.Soc., 141, 2019
8I27	E. coli tryptophanyl-tRNA synthetase bound with a chemical fragment at the dimerization interface Descriptor: 1,2-ETHANEDIOL, 4-methoxybenzenecarbonitrile, SULFATE ION, ... Authors: Xiang, M, Zhou, H. Deposit date: 2023-01-14 Release date: 2023-04-12 Last modified: 2024-05-29 Method: X-RAY DIFFRACTION (1.95 Å) Cite: An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening. Nucleic Acids Res., 51, 2023
8I1Y	The structure of E. coli TrpRS bound with a chemical fragment Descriptor: 5-ethanoylthiophene-2-carbonitrile, SULFATE ION, TRYPTOPHANYL-5'AMP, ... Authors: Xiang, M, Zhou, H. Deposit date: 2023-01-13 Release date: 2023-04-12 Last modified: 2024-05-29 Method: X-RAY DIFFRACTION (1.78 Å) Cite: An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening. Nucleic Acids Res., 51, 2023
8I2A	E. coli tryptophanyl-tRNA synthetase bound with a chemical fragment at the dimerization interface Descriptor: 1,2-ETHANEDIOL, 5-METHOXYBENZIMIDAZOLE, SULFATE ION, ... Authors: Xiang, M, Zhou, H. Deposit date: 2023-01-14 Release date: 2023-04-12 Last modified: 2024-05-29 Method: X-RAY DIFFRACTION (2.35 Å) Cite: An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening. Nucleic Acids Res., 51, 2023
8I1W	The asymmetric structure of homodimeric E. coli TrpRS bound with tryptophanyl adenylate at one of its two active pockets Descriptor: SULFATE ION, TRYPTOPHANYL-5'AMP, Tryptophan--tRNA ligase Authors: Xiang, M, Zhou, H. Deposit date: 2023-01-13 Release date: 2023-04-12 Last modified: 2024-05-29 Method: X-RAY DIFFRACTION (1.8 Å) Cite: An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening. Nucleic Acids Res., 51, 2023
8I2C	E. coli tryptophanyl-tRNA synthetase bound with a chemical fragment at the dimerization interface Descriptor: 1,2-ETHANEDIOL, 4-methoxyaniline, SULFATE ION, ... Authors: Xiang, M, Zhou, H. Deposit date: 2023-01-14 Release date: 2023-04-12 Last modified: 2024-05-29 Method: X-RAY DIFFRACTION (2.07 Å) Cite: An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening. Nucleic Acids Res., 51, 2023
8I1Z	E. coli tryptophanyl-tRNA synthetase bound with a chemical fragment Descriptor: 1-(2,3-dihydro-1-benzofuran-5-yl)ethanone, SULFATE ION, TRYPTOPHANYL-5'AMP, ... Authors: Xiang, M, Zhou, H. Deposit date: 2023-01-13 Release date: 2023-04-12 Last modified: 2024-05-29 Method: X-RAY DIFFRACTION (1.8 Å) Cite: An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening. Nucleic Acids Res., 51, 2023
8I2L	E. coli tryptophanyl-tRNA synthetase bound with a chemical fragment at the dimerization interface Descriptor: 1,2-ETHANEDIOL, CHLORZOXAZONE, SULFATE ION, ... Authors: Xiang, M, Zhou, H. Deposit date: 2023-01-14 Release date: 2023-04-12 Last modified: 2024-05-29 Method: X-RAY DIFFRACTION (1.95 Å) Cite: An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening. Nucleic Acids Res., 51, 2023
4UQT	RRM-peptide structure in RES complex Descriptor: PRE-MRNA-SPLICING FACTOR CWC26, U2 SNRNP COMPONENT IST3 Authors: Tripsianes, K, Friberg, A, Barrandon, C, Seraphin, B, Sattler, M. Deposit date: 2014-06-25 Release date: 2014-09-03 Last modified: 2024-06-19 Method: SOLUTION NMR Cite: A Novel Protein-Protein Interaction in the Res (Retention and Splicing) Complex. J.Biol.Chem., 289, 2014
6O7Q	Nitrogenase MoFeP mutant S188A from Azotobacter vinelandii in the dithionite reduced state after redox cycling Descriptor: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (III) ION, FE(8)-S(7) CLUSTER, ... Authors: Rutledge, H.L, Tezcan, F.A. Deposit date: 2019-03-08 Release date: 2019-06-19 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2 Å) Cite: Redox-Dependent Metastability of the Nitrogenase P-Cluster. J.Am.Chem.Soc., 141, 2019
6O7N	Nitrogenase MoFeP mutant F99Y/S188A from Azotobacter vinelandii in the indigo carmine oxidized state Descriptor: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (III) ION, FE(8)-S(7) CLUSTER, ... Authors: Rutledge, H.L, Tezcan, F.A. Deposit date: 2019-03-08 Release date: 2019-06-19 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Redox-Dependent Metastability of the Nitrogenase P-Cluster. J.Am.Chem.Soc., 141, 2019
6O7S	Nitrogenase MoFeP mutant S188A from Azotobacter vinelandii in the indigo carmine oxidized state Descriptor: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (III) ION, FE(6)-S(7) CLUSTER, ... Authors: Rutledge, H.L, Tezcan, F.A. Deposit date: 2019-03-08 Release date: 2019-06-19 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.27 Å) Cite: Redox-Dependent Metastability of the Nitrogenase P-Cluster. J.Am.Chem.Soc., 141, 2019
5X8D	D90L mutant of thermus thermophilus HB8 thymidylate kinase Descriptor: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Thymidylate kinase Authors: Chaudhary, S.K, Jeyakanthan, J, Sekar, K. Deposit date: 2017-03-02 Release date: 2018-03-14 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.26 Å) Cite: Structural and functional roles of dynamically correlated residues in thymidylate kinase. Acta Crystallogr D Struct Biol, 74, 2018
6O7R	Nitrogenase MoFeP mutant F99Y, S188A from Azotobacter vinelandii in the dithionite reduced state Descriptor: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (III) ION, FE(8)-S(7) CLUSTER, ... Authors: Rutledge, H.L, Williamson, L.M, Tezcan, F.A. Deposit date: 2019-03-08 Release date: 2019-06-19 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.27 Å) Cite: Redox-Dependent Metastability of the Nitrogenase P-Cluster. J.Am.Chem.Soc., 141, 2019
6O7P	Nitrogenase MoFeP mutant F99Y from Azotobacter vinelandii in the dithionite reduced state Descriptor: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (III) ION, FE(8)-S(7) CLUSTER, ... Authors: Rutledge, H.L, Williamson, L.M, Tezcan, F.A. Deposit date: 2019-03-08 Release date: 2019-06-19 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Redox-Dependent Metastability of the Nitrogenase P-Cluster. J.Am.Chem.Soc., 141, 2019
6I63	Crystal structure of human ERRg LBD in complex with bisphenol-A Descriptor: 4,4'-PROPANE-2,2-DIYLDIPHENOL, Estrogen-related receptor gamma Authors: Delfosse, V, Blanc, P, Bourguet, W. Deposit date: 2018-11-15 Release date: 2019-07-03 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.229 Å) Cite: Insights into the activation mechanism of human estrogen-related receptor gamma by environmental endocrine disruptors. Cell.Mol.Life Sci., 76, 2019
5X8J	K16M mutant of thermus thermophilus HB8 thymidylate kinase Descriptor: FORMIC ACID, Thymidylate kinase Authors: Chaudhary, S.K, Jeyakanthan, J, Sekar, K. Deposit date: 2017-03-03 Release date: 2018-03-14 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Structural and functional roles of dynamically correlated residues in thymidylate kinase. Acta Crystallogr D Struct Biol, 74, 2018
3CKH	Crystal structure of Eph A4 receptor Descriptor: Ephrin type-A receptor 4 Authors: Shi, J.H, Song, J.X. Deposit date: 2008-03-15 Release date: 2008-09-23 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Crystal Structure and NMR Binding Reveal That Two Small Molecule Antagonists Target the High Affinity Ephrin-binding Channel of the EphA4 Receptor. J.Biol.Chem., 283, 2008

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