3UG7
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![BU of 3ug7 by Molmil](/molmil-images/mine/3ug7) | Crystal Structure of Get3 from Methanocaldococcus jannaschii | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ZINC ION, ... | Authors: | Suloway, C.J.M, Rome, M.E, Clemons Jr, W.M. | Deposit date: | 2011-11-02 | Release date: | 2011-12-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.901 Å) | Cite: | Tail-anchor targeting by a Get3 tetramer: the structure of an archaeal homologue. Embo J., 31, 2012
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6QKW
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![BU of 6qkw by Molmil](/molmil-images/mine/6qkw) | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Tyr219Phe - Fluoroacetate soaked 2hr | Descriptor: | CHLORIDE ION, Fluoroacetate dehalogenase, GLYCOLIC ACID, ... | Authors: | Mehrabi, P, Kim, T.H, Prosser, R.S, Pai, E.F. | Deposit date: | 2019-01-30 | Release date: | 2019-06-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.512 Å) | Cite: | Substrate-Based Allosteric Regulation of a Homodimeric Enzyme. J.Am.Chem.Soc., 141, 2019
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3UEC
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![BU of 3uec by Molmil](/molmil-images/mine/3uec) | Crystal structure of human Survivin bound to histone H3 phosphorylated on threonine-3. | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Baculoviral IAP repeat-containing protein 5, ... | Authors: | Niedzialkowska, E, Porebski, P.J, Cooper, D.R, Chruszcz, M, Wang, F, Higgins, J.M, Stukenberg, P.T, Minor, W. | Deposit date: | 2011-10-30 | Release date: | 2012-03-07 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Molecular basis for phosphospecific recognition of histone H3 tails by Survivin paralogues at inner centromeres. Mol.Biol.Cell, 23, 2012
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3UEI
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![BU of 3uei by Molmil](/molmil-images/mine/3uei) | Crystal structure of human Survivin E65A mutant | Descriptor: | Baculoviral IAP repeat-containing protein 5, ZINC ION | Authors: | Niedzialkowska, E, Porebski, P.J, Wang, F, Higgins, J.M, Stukenberg, P.T, Minor, W. | Deposit date: | 2011-10-30 | Release date: | 2012-03-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Molecular basis for phosphospecific recognition of histone H3 tails by Survivin paralogues at inner centromeres. Mol Biol Cell, 23, 2012
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3UG6
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![BU of 3ug6 by Molmil](/molmil-images/mine/3ug6) | Crystal Structure of Get3 from Methanocaldococcus jannaschii | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ZINC ION, ... | Authors: | Suloway, C.J.M, Rome, M.E, Clemons Jr, W.M. | Deposit date: | 2011-11-02 | Release date: | 2011-12-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Tail-anchor targeting by a Get3 tetramer: the structure of an archaeal homologue. Embo J., 31, 2012
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6Q3F
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![BU of 6q3f by Molmil](/molmil-images/mine/6q3f) | CDK2 in complex with FragLite2 | Descriptor: | 4-bromanylpyridin-2-amine, Cyclin-dependent kinase 2 | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | Deposit date: | 2018-12-04 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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6Q45
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![BU of 6q45 by Molmil](/molmil-images/mine/6q45) | F1-ATPase from Fusobacterium nucleatum | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | Authors: | Petri, J, Nakatani, Y, Montgomery, M.G, Ferguson, S.A, Aragao, D, Leslie, A.G.W, Heikal, A, Walker, J.E, Cook, G.M. | Deposit date: | 2018-12-05 | Release date: | 2019-07-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Structure of F1-ATPase from the obligate anaerobe Fusobacterium nucleatum. Open Biology, 9, 2019
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5DI7
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![BU of 5di7 by Molmil](/molmil-images/mine/5di7) | Crystal Structure of the ER-alpha Ligand-binding Domain in complex with an methyl-substituted A-CD ring estrogen derivative (1S,3aR,5S,7aS)-5-(4-hydroxy-2-methylphenyl)-7a-methyloctahydro-1H-inden-1-ol | Descriptor: | (1S,3aR,5S,7aS)-5-(4-hydroxy-2-methylphenyl)-7a-methyloctahydro-1H-inden-1-ol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, 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: | 2015-08-31 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.241 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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4O30
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![BU of 4o30 by Molmil](/molmil-images/mine/4o30) | Crystal structure of ATXR5 in complex with histone H3.1 and AdoHcy | Descriptor: | BETA-MERCAPTOETHANOL, DIMETHYL SULFOXIDE, Histone-lysine N-methyltransferase ATXR6, ... | Authors: | Bergamin, E, Mongeon, V, Couture, J.F. | Deposit date: | 2013-12-17 | Release date: | 2014-03-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Selective methylation of histone H3 variant H3.1 regulates heterochromatin replication. Science, 343, 2014
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3UCK
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![BU of 3uck by Molmil](/molmil-images/mine/3uck) | Coccomyxa beta-carbonic anhydrase in complex with phosphate | Descriptor: | CHLORIDE ION, Carbonic anhydrase, PHOSPHATE ION, ... | Authors: | Huang, S, Hainzl, T, Sauer-Eriksson, A.E. | Deposit date: | 2011-10-27 | Release date: | 2011-11-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural studies of [beta]-carbonic anhydrase from the green alga Coccomyxa: inhibitor complexes with anions and acetazolamide. Plos One, 6, 2011
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1MBQ
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![BU of 1mbq by Molmil](/molmil-images/mine/1mbq) | Anionic Trypsin from Pacific Chum Salmon | Descriptor: | BENZAMIDINE, CALCIUM ION, Trypsin | Authors: | Toyota, E, Ng, K.K.S, Kuninaga, S, Sekizaki, H, Itoh, K, Tanizawa, K, James, M.N.G. | Deposit date: | 2002-08-03 | Release date: | 2002-12-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure and Nucleotide Sequence of an Anionic Trypsin from Chum Salmon (Oncorhynchus keta) in Comparison with Atlantic Salmon (Salmo salar) and Bovine Trypsin J.Mol.Biol., 324, 2002
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6DHC
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![BU of 6dhc by Molmil](/molmil-images/mine/6dhc) | X-ray structure of BACE1 in complex with a bicyclic isoxazoline carboxamide as the P3 ligand | Descriptor: | (3R,3aR,6aS)-N-[(4R,7S,8S,10R,13S)-8-hydroxy-10,17-dimethyl-7-(2-methylpropyl)-5,11,14-trioxo-13-(propan-2-yl)-2-thia-6,12,15-triazaoctadecan-4-yl]hexahydrofuro[3,2-d][1,2]oxazole-3-carboxamide, Beta-secretase 1, GLYCEROL, ... | Authors: | Mesecar, A.D, Lendy, E.K. | Deposit date: | 2018-05-19 | Release date: | 2018-07-25 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Design, synthesis, X-ray studies, and biological evaluation of novel BACE1 inhibitors with bicyclic isoxazoline carboxamides as the P3 ligand. Bioorg. Med. Chem. Lett., 28, 2018
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1M2C
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![BU of 1m2c by Molmil](/molmil-images/mine/1m2c) | THREE-DIMENSIONAL STRUCTURE OF ALPHA-CONOTOXIN MII, NMR, 14 STRUCTURES | Descriptor: | ALPHA-CONOTOXIN MII | Authors: | Shon, K.J, Koerber, S.C, Rivier, J.E, Olivera, B.M, Mcintosh, J.M. | Deposit date: | 1997-09-15 | Release date: | 1998-12-09 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | A new alpha-conotoxin which targets alpha3beta2 nicotinic acetylcholine receptors. J.Biol.Chem., 271, 1996
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6QKT
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![BU of 6qkt by Molmil](/molmil-images/mine/6qkt) | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Tyr219Phe - Fluoroacetate soaked 24hr - Glycolate bound | Descriptor: | Fluoroacetate dehalogenase, GLYCOLIC ACID | Authors: | Mehrabi, P, Kim, T.H, Prosser, R.S, Pai, E.F. | Deposit date: | 2019-01-30 | Release date: | 2019-06-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.512 Å) | Cite: | Substrate-Based Allosteric Regulation of a Homodimeric Enzyme. J.Am.Chem.Soc., 141, 2019
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3UCO
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![BU of 3uco by Molmil](/molmil-images/mine/3uco) | |
4O3T
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![BU of 4o3t by Molmil](/molmil-images/mine/4o3t) | Zymogen HGF-beta/MET with Zymogen Activator Peptide ZAP.14 | Descriptor: | Hepatocyte growth factor, Hepatocyte growth factor receptor, PENTAETHYLENE GLYCOL, ... | Authors: | Eigenbrot, C, Landgraf, K.E, Steffek, M. | Deposit date: | 2013-12-18 | Release date: | 2014-06-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | An allosteric switch for pro-HGF/Met signaling using zymogen activator peptides. Nat.Chem.Biol., 10, 2014
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5CZ6
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![BU of 5cz6 by Molmil](/molmil-images/mine/5cz6) | Yeast 20S proteasome beta5-T1A mutant in complex with Syringolin A, propeptide expressed in trans | Descriptor: | (2S)-2-[[(2S)-1-[[(5S,8S,9E)-2,7-dioxo-5-propan-2-yl-1,6-diazacyclododeca-3,9-dien-8-yl]amino]-3-methyl-1-oxo-butan-2-yl]carbamoylamino]-3-methyl-butanoic acid, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2015-07-31 | Release date: | 2016-03-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A unified mechanism for proteolysis and autocatalytic activation in the 20S proteasome. Nat Commun, 7, 2016
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3UCN
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![BU of 3ucn by Molmil](/molmil-images/mine/3ucn) | Coccomyxa beta-carbonic anhydrase in complex with azide | Descriptor: | AZIDE ION, CHLORIDE ION, Carbonic anhydrase, ... | Authors: | Huang, S, Hainzl, T, Sauer-Eriksson, A.E. | Deposit date: | 2011-10-27 | Release date: | 2011-11-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural studies of [beta]-carbonic anhydrase from the green alga Coccomyxa: inhibitor complexes with anions and acetazolamide. Plos One, 6, 2011
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6DGA
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![BU of 6dga by Molmil](/molmil-images/mine/6dga) | |
6Q5V
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![BU of 6q5v by Molmil](/molmil-images/mine/6q5v) | 1-Cys SiPrx, a Prx6-family 1-Cys peroxiredoxin of the thermoacidophilic archaeon Sulfolobus islandicus | Descriptor: | Peroxiredoxin | Authors: | Stroobants, S, Maes, D, Peeters, E, van Molle, I. | Deposit date: | 2018-12-09 | Release date: | 2019-05-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.747 Å) | Cite: | Structure of the Prx6-subfamily 1-Cys peroxiredoxin from Sulfolobus islandicus. Acta Crystallogr.,Sect.F, 75, 2019
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3UEF
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![BU of 3uef by Molmil](/molmil-images/mine/3uef) | Crystal structure of human Survivin bound to histone H3 (C2 space group). | Descriptor: | 1,2-ETHANEDIOL, Baculoviral IAP repeat-containing protein 5, N-terminal fragment of histone H3, ... | Authors: | Niedzialkowska, E, Porebski, P.J, Wang, F, Higgins, J.M, Stukenberg, P.T, Minor, W. | Deposit date: | 2011-10-30 | Release date: | 2012-03-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Molecular basis for phosphospecific recognition of histone H3 tails by Survivin paralogues at inner centromeres. Mol.Biol.Cell, 23, 2012
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3UF9
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![BU of 3uf9 by Molmil](/molmil-images/mine/3uf9) | Crystal structure of SsoPox in complex with the phosphotriester fensulfothion | Descriptor: | Aryldialkylphosphatase, COBALT (II) ION, FE (II) ION, ... | Authors: | Elias, M, Gotthard, G, Hiblot, J, Chabriere, E. | Deposit date: | 2011-10-31 | Release date: | 2012-10-03 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Characterisation of the organophosphate hydrolase catalytic activity of SsoPox Sci Rep, 2, 2012
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4O70
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![BU of 4o70 by Molmil](/molmil-images/mine/4o70) | Crystal structure of the first bromodomain of human BRD4 in complex with DINACICLIB | Descriptor: | 1,2-ETHANEDIOL, 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium, Bromodomain-containing protein 4 | Authors: | Ember, S.W, Zhu, J.-Y, Watts, C, Schonbrunn, E. | Deposit date: | 2013-12-24 | Release date: | 2014-03-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors. Acs Chem.Biol., 9, 2014
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4O7F
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![BU of 4o7f by Molmil](/molmil-images/mine/4o7f) | Crystal structure of the first bromodomain of human BRD4 in complex with SB-251527 | Descriptor: | 1,2-ETHANEDIOL, 4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]-2-(2-methoxyphenoxy)pyrimidine, Bromodomain-containing protein 4, ... | Authors: | Ember, S.W, Zhu, J.-Y, Watts, C, Schonbrunn, E. | Deposit date: | 2013-12-24 | Release date: | 2014-03-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors. Acs Chem.Biol., 9, 2014
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4O94
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![BU of 4o94 by Molmil](/molmil-images/mine/4o94) | Crystal structure of a trap periplasmic solute binding protein from Rhodopseudomonas palustris HaA2 (RPB_3329), Target EFI-510223, with bound succinate | Descriptor: | CHLORIDE ION, SUCCINIC ACID, TRAP dicarboxylate transporter DctP subunit | Authors: | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-01-01 | Release date: | 2014-01-22 | Last modified: | 2015-02-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry, 54, 2015
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