2E49
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![BU of 2e49 by Molmil](/molmil-images/mine/2e49) | Crystal Structure of Human D-Amino Acid Oxidase in Complex with Imino-Serine | Descriptor: | 3-hydroxy-2-iminopropanoic acid, D-amino-acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Kawazoe, T, Tsuge, H, Imagawa, T, Fukui, K. | Deposit date: | 2006-12-05 | Release date: | 2007-03-06 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural basis of d-DOPA oxidation by d-amino acid oxidase: Alternative pathway for dopamine biosynthesis. Biochem.Biophys.Res.Commun., 355, 2007
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7ZRA
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![BU of 7zra by Molmil](/molmil-images/mine/7zra) | Crystal structure of E.coli LexA in complex with nanobody NbSOS1(Nb14497) | Descriptor: | 1,2-ETHANEDIOL, LexA repressor, Nanobody NbSOS1 (Nb14497) | Authors: | Maso, L, Vascon, F, Chinellato, M, Pardon, E, Steyaert, J, Angelini, A, Tondi, D, Cendron, L. | Deposit date: | 2022-05-04 | Release date: | 2022-10-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Nanobodies targeting LexA autocleavage disclose a novel suppression strategy of SOS-response pathway. Structure, 30, 2022
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5JJM
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7A6J
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![BU of 7a6j by Molmil](/molmil-images/mine/7a6j) | Crystal Structure of EGFR-T790M/V948R in Complex with Poziotinib | Descriptor: | 1,2-ETHANEDIOL, 1-[4-[4-[[3,4-bis(chloranyl)-2-fluoranyl-phenyl]amino]-7-methoxy-quinazolin-6-yl]oxypiperidin-1-yl]propan-1-one, Epidermal growth factor receptor, ... | Authors: | Niggenaber, J, Mueller, M.P, Rauh, D. | Deposit date: | 2020-08-25 | Release date: | 2022-02-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Insight into Targeting Exon20 Insertion Mutations of the Epidermal Growth Factor Receptor with Wild Type-Sparing Inhibitors. J.Med.Chem., 65, 2022
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5JK3
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![BU of 5jk3 by Molmil](/molmil-images/mine/5jk3) | Crystal structure of TL11-128 bound to TAK1-TAB1 | Descriptor: | Mitogen-activated protein kinase kinase kinase 7,TGF-beta-activated kinase 1 and MAP3K7-binding protein 1, ~{N}-[2-[5-chloranyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide | Authors: | Gurbani, D, Westover, K.D. | Deposit date: | 2016-04-25 | Release date: | 2017-02-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.371 Å) | Cite: | Structure-guided development of covalent TAK1 inhibitors. Bioorg. Med. Chem., 25, 2017
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7P2V
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![BU of 7p2v by Molmil](/molmil-images/mine/7p2v) | Crystal structure of Schistosoma mansoni HDAC8 in complex with a 4-chlorophenyl-spiroindoline capped hydroxamate-based inhibitor, bound to a novel site | Descriptor: | 5-[[(2S)-2-(4-chlorophenyl)-1'-methyl-spiro[2H-indole-3,4'-piperidine]-1-yl]methyl]-N-oxidanyl-thiophene-2-carboxamide, DI(HYDROXYETHYL)ETHER, Histone deacetylase 8, ... | Authors: | Saccoccia, F, Gemma, S, Campiani, G, Ruberti, G. | Deposit date: | 2021-07-06 | Release date: | 2022-07-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal structures of Schistosoma mansoni histone deacetylase 8 reveal a novel binding site for allosteric inhibitors. J.Biol.Chem., 298, 2022
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7A6K
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![BU of 7a6k by Molmil](/molmil-images/mine/7a6k) | Crystal Structure of EGFR-T790M/V948R in Complex with TAK-788 | Descriptor: | Epidermal growth factor receptor, SULFATE ION, propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate | Authors: | Niggenaber, J, Mueller, M.P, Rauh, D. | Deposit date: | 2020-08-25 | Release date: | 2022-02-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Insight into Targeting Exon20 Insertion Mutations of the Epidermal Growth Factor Receptor with Wild Type-Sparing Inhibitors. J.Med.Chem., 65, 2022
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6YSI
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![BU of 6ysi by Molmil](/molmil-images/mine/6ysi) | Acinetobacter baumannii ribosome-tigecycline complex - 50S subunit | Descriptor: | 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | Authors: | Nicholson, D, Edwards, T.A, O'Neill, A.J, Ranson, N.A. | Deposit date: | 2020-04-22 | Release date: | 2020-09-16 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Structure of the 70S Ribosome from the Human Pathogen Acinetobacter baumannii in Complex with Clinically Relevant Antibiotics. Structure, 28, 2020
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6YT9
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![BU of 6yt9 by Molmil](/molmil-images/mine/6yt9) | Acinetobacter baumannii ribosome-tigecycline complex - 30S subunit body | Descriptor: | 16S ribosomal RNA, 30S ribosomal protein S11, 30S ribosomal protein S12, ... | Authors: | Nicholson, D, Edwards, T.A, O'Neill, A.J, Ranson, N.A. | Deposit date: | 2020-04-24 | Release date: | 2020-09-16 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structure of the 70S Ribosome from the Human Pathogen Acinetobacter baumannii in Complex with Clinically Relevant Antibiotics. Structure, 28, 2020
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7P2T
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![BU of 7p2t by Molmil](/molmil-images/mine/7p2t) | Tetartohedrally twinned crystal structure of Schistosoma mansoni HDAC8 in complex with a tricyclic thieno[3,2-b]indole capped hydroxamate-based inhibitor, bromine derivative | Descriptor: | 5-[[(2R)-7-bromanyl-2-phenyl-2,3-dihydrothieno[3,2-b]indol-4-yl]methyl]-N-oxidanyl-thiophene-2-carboxamide, CHLORIDE ION, Histone deacetylase 8, ... | Authors: | Saccoccia, F, Gemma, S, Campiani, G, Ruberti, G. | Deposit date: | 2021-07-06 | Release date: | 2022-07-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of Schistosoma mansoni histone deacetylase 8 reveal a novel binding site for allosteric inhibitors. J.Biol.Chem., 298, 2022
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5EK5
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![BU of 5ek5 by Molmil](/molmil-images/mine/5ek5) | STRUCTURAL CHARACTERIZATION OF IRMA FROM ESCHERICHIA COLI | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, FORMIC ACID, ... | Authors: | Heras, B, Moriel, D.G, Paxman, J.J, Schembri, M.A. | Deposit date: | 2015-11-03 | Release date: | 2016-03-09 | Last modified: | 2016-07-13 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Molecular and Structural Characterization of a Novel Escherichia coli Interleukin Receptor Mimic Protein. Mbio, 7, 2016
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7P2U
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![BU of 7p2u by Molmil](/molmil-images/mine/7p2u) | Crystal structure of Schistosoma mansoni HDAC8 in complex with a 3-chlorophenyl-spiroindoline capped hydroxamate-based inhibitor, bound to a novel site | Descriptor: | 5-[[(2R)-2-(3-chlorophenyl)-1'-methyl-spiro[2H-indole-3,4'-piperidine]-1-yl]methyl]-N-oxidanyl-thiophene-2-carboxamide, CHLORIDE ION, Histone deacetylase 8, ... | Authors: | Saccoccia, F, Gemma, S, Campiani, G, Ruberti, G. | Deposit date: | 2021-07-06 | Release date: | 2022-07-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structures of Schistosoma mansoni histone deacetylase 8 reveal a novel binding site for allosteric inhibitors. J.Biol.Chem., 298, 2022
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7NVH
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![BU of 7nvh by Molmil](/molmil-images/mine/7nvh) | Cryo-EM structure of the mycolic acid transporter MmpL3 from M. tuberculosis | Descriptor: | Lauryl Maltose Neopentyl Glycol, Trehalose monomycolate exporter MmpL3 | Authors: | Adams, O, Deme, J.C, Parker, J.L, Lea, S.M, Newstead, S. | Deposit date: | 2021-03-15 | Release date: | 2021-06-16 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Cryo-EM structure and resistance landscape of M. tuberculosis MmpL3: An emergent therapeutic target. Structure, 29, 2021
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5IXC
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![BU of 5ixc by Molmil](/molmil-images/mine/5ixc) | Human GIVD cytosolic phospholipase A2 in complex with Methyl gamma-Linolenyl Fluorophosphonate | Descriptor: | BARIUM ION, Cytosolic phospholipase A2 delta, methyl (R)-(6Z,9Z,12Z)-octadeca-6,9,12-trien-1-ylphosphonofluoridate | Authors: | Wang, H, Klein, M.G. | Deposit date: | 2016-03-23 | Release date: | 2016-06-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structure of Human GIVD Cytosolic Phospholipase A2 Reveals Insights into Substrate Recognition. J.Mol.Biol., 428, 2016
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5V38
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7A2I
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5L8O
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![BU of 5l8o by Molmil](/molmil-images/mine/5l8o) | crystal structure of human FABP6 in complex with cholate | Descriptor: | CHOLIC ACID, DI(HYDROXYETHYL)ETHER, Gastrotropin | Authors: | Hendrick, A, Mueller, I, Leonard, P.M, Davenport, R, Mitchell, P. | Deposit date: | 2016-06-08 | Release date: | 2016-08-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Identification and Investigation of Novel Binding Fragments in the Fatty Acid Binding Protein 6 (FABP6). J.Med.Chem., 59, 2016
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7A7C
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![BU of 7a7c by Molmil](/molmil-images/mine/7a7c) | |
7P6N
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![BU of 7p6n by Molmil](/molmil-images/mine/7p6n) | ROCK2 IN COMPLEX WITH COMPOUND 12 | Descriptor: | Rho-associated protein kinase 2, ~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]-4-pyridin-4-yl-piperidine-1-carboxamide | Authors: | Maillard, M.C. | Deposit date: | 2021-07-16 | Release date: | 2022-07-27 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Identification of a Potent, Selective, and Brain-Penetrant Rho Kinase Inhibitor and its Activity in a Mouse Model of Huntington's Disease. J.Med.Chem., 65, 2022
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7AAP
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![BU of 7aap by Molmil](/molmil-images/mine/7aap) | Nsp7-Nsp8-Nsp12 SARS-CoV2 RNA-dependent RNA polymerase in complex with template:primer dsRNA and favipiravir-RTP | Descriptor: | MAGNESIUM ION, Non-structural protein 12, Non-structural protein 7, ... | Authors: | Naydenova, K, Muir, K.W, Wu, L.F, Zhang, Z, Coscia, F, Peet, M, Castro-Hartman, P, Qian, P, Sader, K, Dent, K, Kimanius, D, Sutherland, J.D, Lowe, J, Barford, D, Russo, C.J. | Deposit date: | 2020-09-04 | Release date: | 2020-09-23 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Structure of the SARS-CoV-2 RNA-dependent RNA polymerase in the presence of favipiravir-RTP. Proc.Natl.Acad.Sci.USA, 118, 2021
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7P2E
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![BU of 7p2e by Molmil](/molmil-images/mine/7p2e) | Human mitochondrial ribosome small subunit in complex with IF3, GMPPMP and streptomycin | Descriptor: | 12S mitochondrial rRNA, 28S ribosomal protein S10, mitochondrial, ... | Authors: | Itoh, Y, Khawaja, A, Singh, V, Rorbach, J, Amunts, A. | Deposit date: | 2021-07-05 | Release date: | 2022-07-27 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | Structure of the mitoribosomal small subunit with streptomycin reveals Fe-S clusters and physiological molecules. Elife, 11, 2022
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7OZK
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![BU of 7ozk by Molmil](/molmil-images/mine/7ozk) | CryoEM structure of human enterovirus 70 in complex with Pleconaril | Descriptor: | 3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE, Capsid protein VP1, Capsid protein VP2, ... | Authors: | Fuzik, T, Plevka, P, Moravcova, J. | Deposit date: | 2021-06-28 | Release date: | 2022-07-27 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.31 Å) | Cite: | Structure of Human Enterovirus 70 and Its Inhibition by Capsid-Binding Compounds. J.Virol., 96, 2022
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1RTR
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![BU of 1rtr by Molmil](/molmil-images/mine/1rtr) | Crystal Structure of S. Aureus Farnesyl Pyrophosphate Synthase | Descriptor: | geranyltranstransferase | Authors: | Hosfield, D.J, Zhang, Y, Dougan, D.R, Brooun, A, Tari, L.W, Swanson, R.V, Finn, J. | Deposit date: | 2003-12-10 | Release date: | 2004-03-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for bisphosphonate-mediated inhibition of isoprenoid biosynthesis J.Mol.Biol., 279, 2004
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7OZL
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![BU of 7ozl by Molmil](/molmil-images/mine/7ozl) | CryoEM structure of human enterovirus 70 in complex with WIN51711 | Descriptor: | 5-(7-(4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)HEPTYL)-3-METHYL ISOXAZOLE, Capsid protein VP1, Capsid protein VP2, ... | Authors: | Fuzik, T, Plevka, P, Moravcova, J. | Deposit date: | 2021-06-28 | Release date: | 2022-07-27 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.74 Å) | Cite: | Structure of Human Enterovirus 70 and Its Inhibition by Capsid-Binding Compounds. J.Virol., 96, 2022
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7P2S
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![BU of 7p2s by Molmil](/molmil-images/mine/7p2s) | Crystal structure of Schistosoma mansoni HDAC8 in complex with a tricyclic thieno[3,2-b]indole capped hydroxamate-based inhibitor, chlorine derivative | Descriptor: | 5-[[(2R)-7-fluoranyl-2-phenyl-2,3-dihydrothieno[3,2-b]indol-4-yl]methyl]-N-oxidanyl-thiophene-2-carboxamide, Histone deacetylase 8, POTASSIUM ION, ... | Authors: | Saccoccia, F, Gemma, S, Campiani, G, Ruberti, G. | Deposit date: | 2021-07-06 | Release date: | 2022-07-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of Schistosoma mansoni histone deacetylase 8 reveal a novel binding site for allosteric inhibitors. J.Biol.Chem., 298, 2022
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