7E5M
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![BU of 7e5m by Molmil](/molmil-images/mine/7e5m) | crystal structure of trans assembled human TROP-2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Tumor-associated calcium signal transducer 2 | Authors: | Sun, M, Zhang, H, Chai, Y, Qi, J, Gao, G.F, Tan, S. | Deposit date: | 2021-02-19 | Release date: | 2021-12-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural insights into the cis and trans assembly of human trophoblast cell surface antigen 2. Iscience, 24, 2021
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6MCK
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![BU of 6mck by Molmil](/molmil-images/mine/6mck) | p97 D1D2 with CB5083 bound | Descriptor: | 1-[4-(benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide, Transitional endoplasmic reticulum ATPase | Authors: | Xia, D, Tang, W.K. | Deposit date: | 2018-08-31 | Release date: | 2019-01-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.77 Å) | Cite: | Structural Basis of p97 Inhibition by the Site-Selective Anticancer Compound CB-5083. Mol. Pharmacol., 95, 2019
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2YEH
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6ME8
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![BU of 6me8 by Molmil](/molmil-images/mine/6me8) | XFEL crystal structure of human melatonin receptor MT2 (N86D) in complex with 2-phenylmelatonin | Descriptor: | N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide, Soluble cytochrome b562,Melatonin receptor type 1B,Rubredoxin, ZINC ION | Authors: | Johansson, L.C, Stauch, B, McCorvy, J, Han, G.W, Patel, N, Batyuk, A, Gati, C, Li, C, Grandner, J, Hao, S, Olsen, R.H.J, Tribo, A.R, Zaare, S, Zhu, L, Zatsepin, N.A, Weierstall, U, Liu, W, Roth, B.L, Katritch, V, Cherezov, V. | Deposit date: | 2018-09-05 | Release date: | 2019-04-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | XFEL structures of the human MT2melatonin receptor reveal the basis of subtype selectivity. Nature, 569, 2019
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2J7G
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![BU of 2j7g by Molmil](/molmil-images/mine/2j7g) | Beta-glucosidase from Thermotoga maritima in complex with methyl acetic acid-substituted glucoimidazole | Descriptor: | ACETATE ION, BETA-GLUCOSIDASE A, CALCIUM ION, ... | Authors: | Gloster, T.M, Zechel, D, Vasella, A, Davies, G.J. | Deposit date: | 2006-10-07 | Release date: | 2006-10-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Glycosidase Inhibition: An Assessment of the Binding of 18 Putative Transition-State Mimics. J.Am.Chem.Soc., 129, 2007
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3IAZ
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![BU of 3iaz by Molmil](/molmil-images/mine/3iaz) | Structural basis of the prevention of NSAID-induced damage of the gastrointestinal tract by C-terminal half (C-lobe) of bovine colostrum protein lactoferrin: Binding and structural studies of the C-lobe complex with aspirin | Descriptor: | 2-(ACETYLOXY)BENZOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, ... | Authors: | Mir, R, Singh, N, Sinha, M, Sharma, S, Kaur, P, Srinivasan, A, Singh, T.P. | Deposit date: | 2009-07-15 | Release date: | 2009-08-11 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The structural basis for the prevention of nonsteroidal antiinflammatory drug-induced gastrointestinal tract damage by the C-lobe of bovine colostrum lactoferrin Biophys.J., 97, 2009
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8CTB
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![BU of 8ctb by Molmil](/molmil-images/mine/8ctb) | Human PRMT5:MEP50 structure with Fragment 3 and MTA Bound | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, 7-chloro-1-methyl-1H-benzimidazol-2-amine, Methylosome protein 50, ... | Authors: | Gunn, R.J, Lawson, J.D, Smith, C.R. | Deposit date: | 2022-05-13 | Release date: | 2022-10-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Fragment optimization and elaboration strategies - the discovery of two lead series of PRMT5/MTA inhibitors from five fragment hits. Rsc Med Chem, 13, 2022
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3IQU
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8JPW
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![BU of 8jpw by Molmil](/molmil-images/mine/8jpw) | Crystal Structure of Single-chain L-Glutamate Oxidase Mutant from Streptomyces sp. X-119-6 | Descriptor: | 2-OXOGLUTARIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, L-glutamate oxidase, ... | Authors: | Yamaguchi, H, Takahashi, K, Tatsumi, M, Tagami, U, Mizukoshi, T, Miyano, H, Sugiki, M. | Deposit date: | 2023-06-13 | Release date: | 2023-08-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Development of a novel single-chain l-glutamate oxidase from Streptomyces sp. X-119-6 by inserting flexible linkers. Enzyme.Microb.Technol., 170, 2023
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2YGI
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![BU of 2ygi by Molmil](/molmil-images/mine/2ygi) | Methanobactin HM1 | Descriptor: | COPPER (II) ION, METHANOBACTIN HM1 | Authors: | Ghazouani, A, Basle, A, Firbank, S.J, Gray, J, Dennison, C. | Deposit date: | 2011-04-18 | Release date: | 2012-04-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (0.8 Å) | Cite: | Variations in Methanobactin Structure Influences Copper Utilization by Methane-Oxidizing Bacteria. Proc.Natl.Acad.Sci.USA, 109, 2012
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7ED5
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![BU of 7ed5 by Molmil](/molmil-images/mine/7ed5) | A dual mechanism of action of AT-527 against SARS-CoV-2 polymerase | Descriptor: | MAGNESIUM ION, Non-structural protein 7, Non-structural protein 8, ... | Authors: | Shannon, A, Fattorini, V, Sama, B, Selisko, B, Feracci, M, Falcou, C, Gauffre, P, El Kazzi, P, Delpal, A, Decroly, E, Alvarez, K, Eydoux, C, Guillemot, J.-C, Moussa, A, Good, S, Colla, P, Lin, K, Sommadossi, J.-P, Zhu, Y.X, Yan, X.D, Shi, H, Ferron, F, Canard, B. | Deposit date: | 2021-03-15 | Release date: | 2022-02-16 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (2.98 Å) | Cite: | A dual mechanism of action of AT-527 against SARS-CoV-2 polymerase. Nat Commun, 13, 2022
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2YGJ
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![BU of 2ygj by Molmil](/molmil-images/mine/2ygj) | Methanobactin MB4 | Descriptor: | COPPER (II) ION, METHANOBACTIN MB4, SODIUM ION | Authors: | Ghazouani, A, Basle, A, Firbank, S.J, Gray, J, Dennison, C. | Deposit date: | 2011-04-18 | Release date: | 2012-04-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (0.8 Å) | Cite: | Variations in Methanobactin Structure Influences Copper Utilization by Methane-Oxidizing Bacteria. Proc.Natl.Acad.Sci.USA, 109, 2012
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2YHM
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![BU of 2yhm by Molmil](/molmil-images/mine/2yhm) | Structure of respiratory syncytial virus nucleocapsid protein, P212121 crystal form | Descriptor: | NUCLEOPROTEIN, RNA | Authors: | El Omari, K, Dhaliwal, B, Ren, J, Abrescia, N.G.A, Lockyer, M, Powell, K.L, Hawkins, A.R, Stammers, D.K. | Deposit date: | 2011-05-04 | Release date: | 2012-01-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Structures of Respiratory Syncytial Virus Nucleocapsid Protein from Two Crystal Forms: Details of Potential Packing Interactions in the Native Helical Form. Acta Crystallogr.,Sect.F, 67, 2011
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3NUB
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![BU of 3nub by Molmil](/molmil-images/mine/3nub) | WbpE, an Aminotransferase from Pseudomonas aeruginosa Involved in O-antigen Assembly in Complex with Product as the External Aldimine | Descriptor: | (2S,3S,4R,5R,6R)-5-(acetylamino)-6-{[(S)-{[(S)-{[(2S,3R,4S,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxy-4-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}tetrahydro-2H-pyran-2-carboxylic acid, Aminotransferase WbpE, GLYCEROL, ... | Authors: | Larkin, A, Olivier, N.B, Imperiali, B. | Deposit date: | 2010-07-06 | Release date: | 2010-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Analysis of WbpE from Pseudomonas aeruginosa PAO1: A Nucleotide Sugar Aminotransferase Involved in O-Antigen Assembly Biochemistry, 49, 2010
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7KK6
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3NU7
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![BU of 3nu7 by Molmil](/molmil-images/mine/3nu7) | WbpE, an Aminotransferase from Pseudomonas aeruginosa Involved in O-antigen Assembly in Complex with the Cofactor PMP | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Aminotransferase WbpE, GLYCEROL | Authors: | Larkin, A, Olivier, N.B, Imperiali, B. | Deposit date: | 2010-07-06 | Release date: | 2010-07-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural Analysis of WbpE from Pseudomonas aeruginosa PAO1: A Nucleotide Sugar Aminotransferase Involved in O-Antigen Assembly Biochemistry, 49, 2010
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2YE4
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2YEC
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2YHU
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![BU of 2yhu by Molmil](/molmil-images/mine/2yhu) | Trypanosoma brucei PTR1 in complex with inhibitor WHF30 | Descriptor: | 3-(5-AMINO-1,3,4-THIADIAZOL-2-YL)-1-THIOPHEN-2-YLPROPAN-1-ONE, ACETATE ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Nerini, E, Dawson, A, Hunter, W.N, Costi, M.P. | Deposit date: | 2011-05-06 | Release date: | 2012-05-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Exploiting the 2-Amino-1,3,4-thiadiazole Scaffold To Inhibit Trypanosoma brucei Pteridine Reductase in Support of Early-Stage Drug Discovery. ACS Omega, 2, 2017
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7KKQ
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3IQJ
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![BU of 3iqj by Molmil](/molmil-images/mine/3iqj) | Crystal Structure of human 14-3-3 sigma in Complex with Raf1 peptide (10mer) | Descriptor: | 10-mer peptide from RAF proto-oncogene serine/threonine-protein kinase, 14-3-3 protein sigma, CHLORIDE ION, ... | Authors: | Ottmann, C, Weyand, M. | Deposit date: | 2009-08-20 | Release date: | 2010-09-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Impaired binding of 14-3-3 to C-RAF in Noonan syndrome suggests new approaches in diseases with increased Ras signaling. Mol.Cell.Biol., 30, 2010
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6EQM
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![BU of 6eqm by Molmil](/molmil-images/mine/6eqm) | Crystal Structure of Human BACE-1 in Complex with CNP520 | Descriptor: | Beta-secretase 1, ~{N}-[6-[(3~{R},6~{R})-5-azanyl-3,6-dimethyl-6-(trifluoromethyl)-2~{H}-1,4-oxazin-3-yl]-5-fluoranyl-pyridin-2-yl]-3-chloranyl-5-(trifluoromethyl)pyridine-2-carboxamide | Authors: | Rondeau, J.-M, Wirth, E. | Deposit date: | 2017-10-13 | Release date: | 2018-09-19 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | The BACE-1 inhibitor CNP520 for prevention trials in Alzheimer's disease. EMBO Mol Med, 10, 2018
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4QFC
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6AX8
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![BU of 6ax8 by Molmil](/molmil-images/mine/6ax8) | Mycobacterium tuberculosis methionyl-tRNA synthetase in complex with methionyl-adenylate | Descriptor: | Methionine-tRNA ligase, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] (2S)-2-azanyl-4-methylsulfanyl-butanoate | Authors: | Barros-Alvarez, X, Hol, W.G.J. | Deposit date: | 2017-09-06 | Release date: | 2018-04-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The crystal structure of the drug target Mycobacterium tuberculosis methionyl-tRNA synthetase in complex with a catalytic intermediate. Acta Crystallogr F Struct Biol Commun, 74, 2018
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2ZA0
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![BU of 2za0 by Molmil](/molmil-images/mine/2za0) | Crystal structure of mouse glyoxalase I complexed with methyl-gerfelin | Descriptor: | Glyoxalase I, ZINC ION, methyl 4-(2,3-dihydroxy-5-methylphenoxy)-2-hydroxy-6-methylbenzoate | Authors: | Okumura, H, Kawatani, M, Osada, H. | Deposit date: | 2007-09-26 | Release date: | 2008-08-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The identification of an osteoclastogenesis inhibitor through the inhibition of glyoxalase I Proc.Natl.Acad.Sci.Usa, 105, 2008
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