6LPN
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![BU of 6lpn by Molmil](/molmil-images/mine/6lpn) | Crystal structure of human D-2-hydroxyglutarate dehydrogenase in apo form | Descriptor: | D-2-hydroxyglutarate dehydrogenase, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Yang, J, Zhu, H, Ding, J. | Deposit date: | 2020-01-12 | Release date: | 2021-01-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.206 Å) | Cite: | Structure, substrate specificity, and catalytic mechanism of human D-2-HGDH and insights into pathogenicity of disease-associated mutations. Cell Discov, 7, 2021
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6M7P
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![BU of 6m7p by Molmil](/molmil-images/mine/6m7p) | Human DNA polymerase eta extension complex with cdA at the -2 position | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, DNA (5'-D(*AP*GP*TP*GP*TP*GP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*TP*CP*(02I)P*CP*AP*CP*AP*CP*T)-3'), ... | Authors: | Gregory, M.T, Yang, W. | Deposit date: | 2018-08-20 | Release date: | 2018-09-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Bypassing a 8,5'-cyclo-2'-deoxyadenosine lesion by human DNA polymerase eta at atomic resolution. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6RCJ
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![BU of 6rcj by Molmil](/molmil-images/mine/6rcj) | ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-15]-OMe | Descriptor: | GLYCEROL, NITRATE ION, Protein enabled homolog, ... | Authors: | Barone, M, Roske, Y. | Deposit date: | 2019-04-11 | Release date: | 2020-05-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells. Proc.Natl.Acad.Sci.USA, 117, 2020
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4P2T
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![BU of 4p2t by Molmil](/molmil-images/mine/4p2t) | |
6R7D
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![BU of 6r7d by Molmil](/molmil-images/mine/6r7d) | Crystal structure of LTC4S in complex with AZ13690257 | Descriptor: | (1~{S},2~{S})-2-[5-[cyclopropylmethyl(naphthalen-1-yl)amino]-4-methoxy-pyrimidin-2-yl]carbonylcyclopropane-1-carboxylic acid, DODECYL-BETA-D-MALTOSIDE, Leukotriene C4 synthase, ... | Authors: | Kack, H, Ek, M. | Deposit date: | 2019-03-28 | Release date: | 2019-08-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Discovery of the Oral Leukotriene C4 Synthase Inhibitor (1S,2S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(2-fluoro-2-methylpropyl)amino]-3-methoxypyrazin-2-yl}carbonyl)cyclopropanecarboxylic Acid (AZD9898) as a New Treatment for Asthma. J.Med.Chem., 62, 2019
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4UJD
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![BU of 4ujd by Molmil](/molmil-images/mine/4ujd) | mammalian 80S HCV-IRES initiation complex with eIF5B PRE-like state | Descriptor: | 18S Ribosomal RNA, 28S Ribosomal RNA, 40S RIBOSOMAL PROTEIN ES1, ... | Authors: | Yamamoto, H, Unbehaun, A, Loerke, J, Behrmann, E, Marianne, C, Burger, J, Mielke, T, Spahn, C.M.T. | Deposit date: | 2014-06-18 | Release date: | 2014-07-30 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (8.9 Å) | Cite: | Structure of the Mammalian 80S Initiation Complex with Eif5B on Hcv Ires Nat.Struct.Mol.Biol., 21, 2014
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6R7V
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![BU of 6r7v by Molmil](/molmil-images/mine/6r7v) | Tannerella forsythia promirolysin mutant E225A | Descriptor: | CALCIUM ION, GLYCEROL, Mirolysin, ... | Authors: | Rodriguez-Banqueri, A, Guevara, T, Ksiazek, M, Potempa, J, Gomis-Ruth, F.X. | Deposit date: | 2019-03-29 | Release date: | 2019-11-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure-based mechanism of cysteine-switch latency and of catalysis by pappalysin-family metallopeptidases. Iucrj, 7, 2020
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6RCV
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![BU of 6rcv by Molmil](/molmil-images/mine/6rcv) | PfRH5 bound to monoclonal antibodies R5.011 and R5.016 | Descriptor: | R5.011 heavy chain, R5.011 light chain, R5.016 heavy chain, ... | Authors: | Alanine, D.W.G, Draper, S.J, Higgins, M.K. | Deposit date: | 2019-04-11 | Release date: | 2019-06-26 | Last modified: | 2019-07-10 | Method: | X-RAY DIFFRACTION (3.582 Å) | Cite: | Human Antibodies that Slow Erythrocyte Invasion Potentiate Malaria-Neutralizing Antibodies. Cell, 178, 2019
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7RZC
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![BU of 7rzc by Molmil](/molmil-images/mine/7rzc) | Papain-Like Protease of SARS CoV-2 in complex with Jun9-84-3 inhibitor | Descriptor: | (1R)-N-[(1H-indol-3-yl)methyl]-N-methyl-1-(naphthalen-1-yl)ethan-1-amine, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Osipiuk, J, Tesar, C, Endres, M, Wang, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-08-27 | Release date: | 2021-09-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Papain-Like Protease of SARS CoV-2 in complex with Jun9-84-3 inhibitor To be Published
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4PFQ
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![BU of 4pfq by Molmil](/molmil-images/mine/4pfq) | Crystal structure of hypoxanthine phosphoribosyltransferase from Brachybacterium faecium DSM 4810, NYSGRC Target 029763. | Descriptor: | Hypoxanthine phosphoribosyltransferase, MAGNESIUM ION | Authors: | Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2014-04-30 | Release date: | 2014-07-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of hypoxanthine phosphoribosyltransferase from Brachybacterium faecium DSM 4810, NYSGRC Target 0299763. to be published
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5HS0
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![BU of 5hs0 by Molmil](/molmil-images/mine/5hs0) | Computationally Designed Cyclic Tetramer ank1C4_7 | Descriptor: | Ankyrin domain protein ank1C4_7, GLYCEROL, SULFATE ION | Authors: | McNamara, D.E, Cascio, D, Fallas, J.A, Baker, D, Yeates, T.O. | Deposit date: | 2016-01-24 | Release date: | 2017-04-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Computational design of self-assembling cyclic protein homo-oligomers. Nat Chem, 9, 2017
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6R81
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![BU of 6r81 by Molmil](/molmil-images/mine/6r81) | Multidrug resistance transporter BmrA mutant E504A bound with ATP and Mg solved by Cryo-EM | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Lipid A export ATP-binding/permease protein MsbA, MAGNESIUM ION | Authors: | Wiseman, B, Chaptal, V, Zampieri, V, Magnard, S, Hogbom, M, Falson, P. | Deposit date: | 2019-03-30 | Release date: | 2020-05-06 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Substrate-bound and substrate-free outward-facing structures of a multidrug ABC exporter. Sci Adv, 8, 2022
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4PGK
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![BU of 4pgk by Molmil](/molmil-images/mine/4pgk) | Insights into Substrate and Metal Binding from the Crystal Structure of Cyanobacterial Aldehyde Deformylating Oxygenase with Substrate Bound | Descriptor: | 11-[2-(2-ethoxyethoxy)ethoxy]undecanal, Aldehyde decarbonylase, FE (III) ION | Authors: | Buer, B.C, Paul, B, Das, D, Stuckey, J.A, Marsh, E.N.G. | Deposit date: | 2014-05-02 | Release date: | 2014-12-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Insights into substrate and metal binding from the crystal structure of cyanobacterial aldehyde deformylating oxygenase with substrate bound. Acs Chem.Biol., 9, 2014
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5HKH
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![BU of 5hkh by Molmil](/molmil-images/mine/5hkh) | Crystal structure of Ufm1 in complex with UBA5 | Descriptor: | ASP-ASN-GLU-TRP-GLY-ILE-GLU-LEU-VAL, Ubiquitin-fold modifier 1 | Authors: | Huber, J, Doetsch, V, Rogov, V.V, Akutsu, M. | Deposit date: | 2016-01-14 | Release date: | 2016-03-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural and Functional Analysis of a Novel Interaction Motif within UFM1-activating Enzyme 5 (UBA5) Required for Binding to Ubiquitin-like Proteins and Ufmylation. J.Biol.Chem., 291, 2016
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7S3W
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![BU of 7s3w by Molmil](/molmil-images/mine/7s3w) | Crystal structure of an N-acetyltransferase from Helicobacter pullorum in the presence of Coenzyme A and dTDP-3-amino-3,6-dideoxy-D-galactose | Descriptor: | (3R,4S,5R,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl][hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate, 1,2-ETHANEDIOL, N-acetyltransferase, ... | Authors: | Griffiths, W.A, Spencer, K.D, Thoden, J.B, Holden, H.M. | Deposit date: | 2021-09-08 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Biochemical investigation of an N-acetyltransferase from Helicobacter pullorum. Protein Sci., 30, 2021
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4PIS
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![BU of 4pis by Molmil](/molmil-images/mine/4pis) | Crystal structure of human adenovirus 8 protease in complex with a nitrile inhibitor | Descriptor: | N~2~-[(2R)-2-(3,5-dichlorophenyl)-2-(dimethylamino)acetyl]-N-({2-[(Z)-iminomethyl]pyrimidin-4-yl}methyl)-L-isoleucinamide, PVI, Protease | Authors: | Mac Sweeney, A, Grosche, P, Ellis, D, Combrink, K, Erbel, P, Hughes, N, Sirockin, F, Melkko, S, Bernardi, A, Ramage, P, Jarousse, N, Altmann, E. | Deposit date: | 2014-05-09 | Release date: | 2014-09-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery and structure-based optimization of adenain inhibitors. Acs Med.Chem.Lett., 5, 2014
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4PIV
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![BU of 4piv by Molmil](/molmil-images/mine/4piv) | Human Fatty Acid Synthase Psi/KR Tri-Domain with NADPH and GSK2194069 | Descriptor: | 4-[4-(1-benzofuran-5-yl)phenyl]-5-{[(3S)-1-(cyclopropylcarbonyl)pyrrolidin-3-yl]methyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, CACODYLATE ION, Fatty acid synthase, ... | Authors: | Williams, S.P, Wang, L, Brown, K.K, Parrish, C.A, Hardwicke, M.A. | Deposit date: | 2014-05-09 | Release date: | 2014-07-23 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.299 Å) | Cite: | A human fatty acid synthase inhibitor binds beta-ketoacyl reductase in the keto-substrate site. Nat.Chem.Biol., 10, 2014
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6R3P
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![BU of 6r3p by Molmil](/molmil-images/mine/6r3p) | |
7S45
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![BU of 7s45 by Molmil](/molmil-images/mine/7s45) | Crystal structure of an N-acetyltransferase, C80T mutant, from Helicobacter pullorum in the presence of Acetyl Coenzyme A and dTDP | Descriptor: | 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ACETYL COENZYME *A, ... | Authors: | Griffiths, W.A, Spencer, K.D, Thoden, J.B, Holden, H.M. | Deposit date: | 2021-09-08 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Biochemical investigation of an N-acetyltransferase from Helicobacter pullorum. Protein Sci., 30, 2021
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6R48
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![BU of 6r48 by Molmil](/molmil-images/mine/6r48) | |
4UGX
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![BU of 4ugx by Molmil](/molmil-images/mine/4ugx) | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with N-(3-((ethyl(2-(3-fluorophenyl)ethyl)amino)methyl)phenyl)thiophene-2- carboximidamide | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORIDE ION, GLYCEROL, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2015-03-22 | Release date: | 2015-06-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry, 54, 2015
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7S3U
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![BU of 7s3u by Molmil](/molmil-images/mine/7s3u) | Crystal structure of an N-acetyltransferase from Helicobacter pullorum in the presence of Coenzyme A and dTDP-3-amino-3,6-dideoxy-D-glucose | Descriptor: | 1,2-ETHANEDIOL, COENZYME A, N-acetyltransferase, ... | Authors: | Griffiths, W.A, Spencer, K.D, Thoden, J.B, Holden, H.M. | Deposit date: | 2021-09-08 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Biochemical investigation of an N-acetyltransferase from Helicobacter pullorum. Protein Sci., 30, 2021
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6R9N
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![BU of 6r9n by Molmil](/molmil-images/mine/6r9n) | Peroxy diiron species of chemotaxis sensor ODP | Descriptor: | CHLORIDE ION, FE (III) ION, OXYGEN ATOM, ... | Authors: | Muok, A.R, Crane, B.R. | Deposit date: | 2019-04-03 | Release date: | 2019-06-19 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.074 Å) | Cite: | A di-iron protein recruited as an Fe[II] and oxygen sensor for bacterial chemotaxis functions by stabilizing an iron-peroxy species. Proc.Natl.Acad.Sci.USA, 116, 2019
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7S44
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![BU of 7s44 by Molmil](/molmil-images/mine/7s44) | Crystal structure of an N-acetyltransferase, C80T mutant, from Helicobacter pullorum in the presence of Coenzyme A and dTDP-3-amino-3,6-dideoxy-D-galactose | Descriptor: | (3R,4S,5R,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl][hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate, 1,2-ETHANEDIOL, N-acetyltransferase, ... | Authors: | Griffiths, W.A, Spencer, K.D, Thoden, J.B, Holden, H.M. | Deposit date: | 2021-09-08 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Biochemical investigation of an N-acetyltransferase from Helicobacter pullorum. Protein Sci., 30, 2021
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4UOW
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![BU of 4uow by Molmil](/molmil-images/mine/4uow) | Crystal structure of the titin M10-Obscurin Ig domain 1 complex | Descriptor: | CHLORIDE ION, Obscurin, SODIUM ION, ... | Authors: | Pernigo, S, Fukuzawa, A, Gautel, M, Steiner, R.A. | Deposit date: | 2014-06-10 | Release date: | 2014-12-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | The Crystal Structure of the Human Titin:Obscurin Complex Reveals a Conserved Yet Specific Muscle M-Band Zipper Module. J.Mol.Biol., 427, 2015
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