3MSF
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![BU of 3msf by Molmil](/molmil-images/mine/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
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2ANZ
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![BU of 2anz by Molmil](/molmil-images/mine/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
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4MDN
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![BU of 4mdn by Molmil](/molmil-images/mine/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
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4LWV
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![BU of 4lwv by Molmil](/molmil-images/mine/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
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6O7M
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![BU of 6o7m by Molmil](/molmil-images/mine/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
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6O7O
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5M35
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6O7L
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8I27
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![BU of 8i27 by Molmil](/molmil-images/mine/8i27) | |
8I1Y
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![BU of 8i1y by Molmil](/molmil-images/mine/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
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8I2A
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8I1W
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![BU of 8i1w by Molmil](/molmil-images/mine/8i1w) | |
8I2C
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![BU of 8i2c by Molmil](/molmil-images/mine/8i2c) | |
8I1Z
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![BU of 8i1z by Molmil](/molmil-images/mine/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
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8I2L
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4UQT
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![BU of 4uqt by Molmil](/molmil-images/mine/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
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6O7Q
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6O7N
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6O7S
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5X8D
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6O7R
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![BU of 6o7r by Molmil](/molmil-images/mine/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
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6O7P
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![BU of 6o7p by Molmil](/molmil-images/mine/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
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6I63
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![BU of 6i63 by Molmil](/molmil-images/mine/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
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5X8J
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3CKH
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![BU of 3ckh by Molmil](/molmil-images/mine/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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