2YSE
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![BU of 2yse by Molmil](/molmil-images/mine/2yse) | Solution structure of the second WW domain from the human membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1. MAGI-1 | Descriptor: | Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1 | Authors: | Ohnishi, S, Sato, M, Koshiba, S, Harada, T, Watanabe, S, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-04-03 | Release date: | 2007-10-09 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of the second WW domain from the human membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1. MAGI-1 To be Published
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8SU0
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![BU of 8su0 by Molmil](/molmil-images/mine/8su0) | Unliganded F96H epi-Isozizaene Synthase | Descriptor: | Epi-isozizaene synthase, SULFATE ION | Authors: | Eaton, S.A, Christianson, D.W. | Deposit date: | 2023-05-11 | Release date: | 2023-07-26 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Reprogramming the Cyclization Cascade of epi -Isozizaene Synthase to Generate Alternative Terpene Products. Biochemistry, 62, 2023
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5E7J
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2YA4
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![BU of 2ya4 by Molmil](/molmil-images/mine/2ya4) | Crystal structure of Streptococcus pneumoniae NanA (TIGR4) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, FORMIC ACID, ... | Authors: | Gut, H, Xu, G, Taylor, G.L, Walsh, M.A. | Deposit date: | 2011-02-18 | Release date: | 2011-04-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis for Streptococcus Pneumoniae Nana Inhibition by Influenza Antivirals Zanamivir and Oseltamivir Carboxylate. J.Mol.Biol., 409, 2011
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8T9R
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8SU5
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![BU of 8su5 by Molmil](/molmil-images/mine/8su5) | F198T epi-Isozizaene Synthase: complex with 3 Mg2+, inorganic pyrophosphate, and benzyl triethyl ammonium cation | Descriptor: | Epi-isozizaene synthase, GLYCEROL, MAGNESIUM ION, ... | Authors: | Eaton, S.A, Christianson, D.W. | Deposit date: | 2023-05-11 | Release date: | 2023-07-26 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Reprogramming the Cyclization Cascade of epi -Isozizaene Synthase to Generate Alternative Terpene Products. Biochemistry, 62, 2023
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2YT6
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![BU of 2yt6 by Molmil](/molmil-images/mine/2yt6) | Solution structure of the SH3_1 domain of Yamaguchi sarcoma viral (v-yes) oncogene homolog 1 | Descriptor: | Adult male urinary bladder cDNA, RIKEN full-length enriched library, clone:9530076O17 product:Yamaguchi sarcoma viral (v-yes) oncogene homolog | Authors: | Dang, W, Muto, Y, Inoue, M, Kigawa, T, Shirouzu, M, Tarada, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-04-05 | Release date: | 2008-04-08 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of the SH3_1 domain of Yamaguchi sarcoma viral (v-yes) oncogene homolog 1 To be Published
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5E8A
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![BU of 5e8a by Molmil](/molmil-images/mine/5e8a) | Crystal structure of Human galectin-3 CRD in complex with 4-fluophenyl-1,2,3-triazolyl thiodigalactoside inhibitor | Descriptor: | 3-deoxy-3-[4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-3-[4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl]-1-thio-beta-D-galactopyranoside, CHLORIDE ION, Galectin-3 | Authors: | Collins, P.M, Blanchard, H. | Deposit date: | 2015-10-13 | Release date: | 2016-08-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Galectin-3-Binding Glycomimetics that Strongly Reduce Bleomycin-Induced Lung Fibrosis and Modulate Intracellular Glycan Recognition. Chembiochem, 17, 2016
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2GD6
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![BU of 2gd6 by Molmil](/molmil-images/mine/2gd6) | The 1,1-proton transfer reaction mechanism by alpha-methylacyl-CoA racemase is catalyzed by an aspartate/histidine pair and involves a smooth, methionine-rich surface for binding the fatty acyl moiety | Descriptor: | ACETYL COENZYME *A, GLYCEROL, probable alpha-methylacyl-CoA racemase MCR | Authors: | Bhaumik, P, Wierenga, R.K. | Deposit date: | 2006-03-15 | Release date: | 2007-02-20 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Catalysis of the 1,1-Proton Transfer by alpha-Methyl-acyl-CoA Racemase Is Coupled to a Movement of the Fatty Acyl Moiety Over a Hydrophobic, Methionine-rich Surface J.Mol.Biol., 367, 2007
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2GEV
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![BU of 2gev by Molmil](/molmil-images/mine/2gev) | Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with a coenzyme A derivative, Form-II (LT) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Pantothenate kinase, ... | Authors: | Das, S, Kumar, P, Bhor, V, Surolia, A, Vijayan, M. | Deposit date: | 2006-03-20 | Release date: | 2006-06-06 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Invariance and variability in bacterial PanK: a study based on the crystal structure of Mycobacterium tuberculosis PanK. Acta Crystallogr.,Sect.D, 62, 2006
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2GDI
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5EAG
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![BU of 5eag by Molmil](/molmil-images/mine/5eag) | Saccharomyces cerevisiae CYP51 complexed with the plant pathogen inhibitor Prochloraz | Descriptor: | Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE, Prochloraz | Authors: | Tyndall, J.D.A, Sabherwal, M, Sagatova, A.A, Keniya, M.V, Wilson, R.K, Woods, M.V, Monk, B.C. | Deposit date: | 2015-10-16 | Release date: | 2016-02-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and Functional Elucidation of Yeast Lanosterol 14 alpha-Demethylase in Complex with Agrochemical Antifungals. PLoS ONE, 11, 2016
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5E8Y
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2GGP
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![BU of 2ggp by Molmil](/molmil-images/mine/2ggp) | Solution structure of the Atx1-Cu(I)-Ccc2a complex | Descriptor: | COPPER (I) ION, Metal homeostasis factor ATX1, Probable copper-transporting ATPase | Authors: | Banci, L, Bertini, I, Cantini, F, Felli, I.C, Gonnelli, L, Hadjiliadis, N, Pierattelli, R, Rosato, A, Voulgaris, P, Structural Proteomics in Europe (SPINE) | Deposit date: | 2006-03-24 | Release date: | 2006-08-08 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | The Atx1-Ccc2 complex is a metal-mediated protein-protein interaction. Nat.Chem.Biol., 2, 2006
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5E9O
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![BU of 5e9o by Molmil](/molmil-images/mine/5e9o) | Spirochaeta thermophila X module - CBM64 - mutant G504A | Descriptor: | 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, Cellulase, glycosyl hydrolase family 5, ... | Authors: | Schiefner, A, Skerra, A. | Deposit date: | 2015-10-15 | Release date: | 2016-03-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for cellulose binding by the type A carbohydrate-binding module 64 of Spirochaeta thermophila. Proteins, 84, 2016
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2GET
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![BU of 2get by Molmil](/molmil-images/mine/2get) | Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with a coenzyme A derivative, Form-I (LT) | Descriptor: | GLYCEROL, Pantothenate kinase, [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL (3R)-3-HYDROXY-4-{[3-({2-[(2-HYDROXYETHYL)DITHIO]ETHYL}AMINO)-3-OXOPROPYL]AMINO}-2,2-DIMETHYL-4-OXOBUTYL DIHYDROGEN DIPHOSPHATE | Authors: | Das, S, Kumar, P, Bhor, V, Surolia, A, Vijayan, M. | Deposit date: | 2006-03-20 | Release date: | 2006-06-06 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Invariance and variability in bacterial PanK: a study based on the crystal structure of Mycobacterium tuberculosis PanK. Acta Crystallogr.,Sect.D, 62, 2006
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5E9Y
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![BU of 5e9y by Molmil](/molmil-images/mine/5e9y) | Crystal Structure of BAZ2B bromodomain in complex with MPD | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B | Authors: | Lolli, G, Caflisch, A. | Deposit date: | 2015-10-15 | Release date: | 2016-03-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | High-Throughput Fragment Docking into the BAZ2B Bromodomain: Efficient in Silico Screening for X-Ray Crystallography. Acs Chem.Biol., 11, 2016
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5EAD
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![BU of 5ead by Molmil](/molmil-images/mine/5ead) | Saccharomyces cerevisiae CYP51 complexed with the plant pathogen inhibitor S-desthio-prothioconazole | Descriptor: | (2~{S})-2-(1-chloranylcyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Tyndall, J.D.A, Sabherwal, M, Sagatova, A.A, Keniya, M.V, Wilson, R.K, Woods, M.V, Monk, B.C. | Deposit date: | 2015-10-16 | Release date: | 2016-02-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and Functional Elucidation of Yeast Lanosterol 14 alpha-Demethylase in Complex with Agrochemical Antifungals. PLoS ONE, 11, 2016
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2GFK
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![BU of 2gfk by Molmil](/molmil-images/mine/2gfk) | Crystal structure of the zinc-beta-lactamase l1 from stenotrophomonas maltophilia (inhibitor 2) | Descriptor: | 2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACID, DI(HYDROXYETHYL)ETHER, Metallo-beta-lactamase L1, ... | Authors: | Nauton, L, Garau, G, Kahn, R, Dideberg, O. | Deposit date: | 2006-03-22 | Release date: | 2007-03-27 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural insights into the design of inhibitors for the L1 metallo-beta-lactamase from Stenotrophomonas maltophilia. J.Mol.Biol., 375, 2008
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5EAP
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![BU of 5eap by Molmil](/molmil-images/mine/5eap) | Crystal structure of human WDR5 in complex with compound 9e | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | Authors: | DONG, A, DOMBROVSKI, L, SMIL, D, GETLIK, M, BOLSHAN, Y, WALKER, J.R, SENISTERRA, G, PODA, G, AL-AWAR, R, SCHAPIRA, M, VEDADI, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | Deposit date: | 2015-10-16 | Release date: | 2015-11-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Structure-Based Optimization of a Small Molecule Antagonist of the Interaction Between WD Repeat-Containing Protein 5 (WDR5) and Mixed-Lineage Leukemia 1 (MLL1). J. Med. Chem., 59, 2016
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5EAY
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5DU7
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5DWE
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![BU of 5dwe by Molmil](/molmil-images/mine/5dwe) | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a 2-Chloro-substituted Triaryl-imine analog 4,4'-[(2-chlorophenyl)carbonimidoyl]diphenol | Descriptor: | 4,4'-[(2-chlorophenyl)carbonimidoyl]diphenol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Wright, N.J, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-09-22 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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5DWN
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8DZN
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![BU of 8dzn by Molmil](/molmil-images/mine/8dzn) | Crystal structure of human Sar1a in complex with GDP | Descriptor: | GTP-binding protein SAR1a, GUANOSINE-5'-DIPHOSPHATE, SULFATE ION | Authors: | Huang, Q. | Deposit date: | 2022-08-08 | Release date: | 2023-08-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.107 Å) | Cite: | The alarmone ppGpp selectively inhibits the isoform A of the human small GTPase Sar1. Proteins, 91, 2023
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