4K0X
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![BU of 4k0x by Molmil](/molmil-images/mine/4k0x) | X-ray Crystal Structure of OXA-23 from Acinetobacter baumannii | Descriptor: | BICARBONATE ION, Beta-lactamase | Authors: | Klinger, N.V, Ramey, M.E, Leonard, D.A, Powers, R.A. | Deposit date: | 2013-04-04 | Release date: | 2013-08-07 | Last modified: | 2013-10-23 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Structures of the Class D Carbapenemases OXA-23 and OXA-146: Mechanistic Basis of Activity against Carbapenems, Extended-Spectrum Cephalosporins, and Aztreonam. Antimicrob.Agents Chemother., 57, 2013
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4K0W
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![BU of 4k0w by Molmil](/molmil-images/mine/4k0w) | X-ray crystal structure of OXA-23 A220 duplication clinical variant | Descriptor: | 1,2-ETHANEDIOL, BICARBONATE ION, Beta-lactamase, ... | Authors: | Kaitany, K.J, Klinger, N.V, Leonard, D.A, Powers, R.A. | Deposit date: | 2013-04-04 | Release date: | 2013-08-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structures of the Class D Carbapenemases OXA-23 and OXA-146: Mechanistic Basis of Activity against Carbapenems, Extended-Spectrum Cephalosporins, and Aztreonam. Antimicrob.Agents Chemother., 57, 2013
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1YVF
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![BU of 1yvf by Molmil](/molmil-images/mine/1yvf) | Hepatitis C virus NS5B RNA-dependent RNA polymerase complex with inhibitor PHA-00729145 | Descriptor: | (2Z)-2-(BENZOYLAMINO)-3-[4-(2-BROMOPHENOXY)PHENYL]-2-PROPENOIC ACID, CHLORIDE ION, GLYCEROL, ... | Authors: | Pfefferkorn, J.A, Greene, M.L, Nugent, R.A, Gross, R.J, Mitchell, M.A, Finzel, B.C, Harris, M.S, Wells, P.A, Shelly, J.A, Anstadt, R.A, Kilkuskie, R.E, Kopta, L.A, Schwende, F.J. | Deposit date: | 2005-02-15 | Release date: | 2005-04-19 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Inhibitors of HCV NS5B polymerase. Part 1: Evaluation of the southern region of (2Z)-2-(benzoylamino)-3-(5-phenyl-2-furyl)acrylic acid. Bioorg.Med.Chem.Lett., 15, 2005
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1SBT
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![BU of 1sbt by Molmil](/molmil-images/mine/1sbt) | ATOMIC COORDINATES FOR SUBTILISIN BPN (OR NOVO) | Descriptor: | SUBTILISIN BPN' | Authors: | Alden, R.A, Birktoft, J.J, Kraut, J, Robertus, J.D, Wright, C.S. | Deposit date: | 1972-08-11 | Release date: | 1977-01-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Atomic coordinates for subtilisin BPN' (or Novo). Biochem.Biophys.Res.Commun., 45, 1971
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5CHA
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1XR7
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![BU of 1xr7 by Molmil](/molmil-images/mine/1xr7) | Crystal structure of RNA-dependent RNA Polymerase 3D from human rhinovirus serotype 16 | Descriptor: | Genome polyprotein | Authors: | Love, R.A, Maegley, K.A, Yu, X, Ferre, R.A, Lingardo, L.K, Diehl, W, Parge, H.E, Dragovich, P.S, Fuhrman, S.A. | Deposit date: | 2004-10-13 | Release date: | 2004-10-26 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Crystal Structure of the RNA-Dependent RNA Polymerase from Human Rhinovirus: A Dual-Function Target for Common Cold Antiviral Therapy Structure, 12, 2004
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1XR6
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![BU of 1xr6 by Molmil](/molmil-images/mine/1xr6) | Crystal Structure of RNA-dependent RNA Polymerase 3D from human rhinovirus serotype 1B | Descriptor: | Genome polyprotein, POTASSIUM ION | Authors: | Love, R.A, Maegley, K.A, Yu, X, Ferre, R.A, Lingardo, L.K, Diehl, W, Parge, H.E, Dragovich, P.S, Fuhrman, S.A. | Deposit date: | 2004-10-13 | Release date: | 2004-10-26 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The Crystal Structure of the RNA-Dependent RNA Polymerase from Human Rhinovirus: A Dual-Function Target for Common Cold Antiviral Therapy Structure, 12, 2004
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2ZO5
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![BU of 2zo5 by Molmil](/molmil-images/mine/2zo5) | Structure of the Thioalkalivibrio nitratireducens cytochrome c nitrite reductase in a complex with azide | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AZIDE ION, ... | Authors: | Polyakov, K.M, Boyko, K.M, Slutsky, A, Tikhonova, T.V, Antipov, A.N, Zvyagilskaya, R.A, Popov, A.N, Lamzin, V.S, Bourenkov, G.P, Popov, V.O. | Deposit date: | 2008-05-05 | Release date: | 2009-05-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | High-resolution structural analysis of a novel octaheme cytochrome c nitrite reductase from the haloalkaliphilic bacterium Thioalkalivibrio nitratireducens J.Mol.Biol., 389, 2009
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1XR5
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![BU of 1xr5 by Molmil](/molmil-images/mine/1xr5) | Crystal Structure of the RNA-dependent RNA Polymerase 3D from human rhinovirus serotype 14 | Descriptor: | Genome polyprotein, SAMARIUM (III) ION | Authors: | Love, R.A, Maegley, K.A, Yu, X, Ferre, R.A, Lingardo, L.K, Diehl, W, Parge, H.E, Dragovich, P.S, Fuhrman, S.A. | Deposit date: | 2004-10-13 | Release date: | 2004-10-26 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The Crystal Structure of the RNA-Dependent RNA Polymerase from Human Rhinovirus: A Dual-Function Target for Common Cold Antiviral Therapy Structure, 12, 2004
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2OT4
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![BU of 2ot4 by Molmil](/molmil-images/mine/2ot4) | Structure of a hexameric multiheme c nitrite reductase from the extremophile bacterium Thiolkalivibrio nitratireducens | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ... | Authors: | Polyakov, K.M, Boyko, K.M, Slutsky, A, Tikhonova, T.V, Antipov, A.N, Zvyagilskaya, R.A, Popov, A.N, Lamzin, V.S, Bourenkov, G.P, Popov, V.O. | Deposit date: | 2007-02-07 | Release date: | 2008-04-08 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | High-resolution structural analysis of a novel octaheme cytochrome c nitrite reductase from the haloalkaliphilic bacterium Thioalkalivibrio nitratireducens. J.Mol.Biol., 389, 2009
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4PBT
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![BU of 4pbt by Molmil](/molmil-images/mine/4pbt) | Crystal structure of the M. jannaschii G2 tRNA synthetase variant bound to 4-trans-cyclooctene-amidopheylalanine (Tco-amF) | Descriptor: | 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, 4-{[(1R,4E)-cyclooct-4-en-1-ylcarbonyl]amino}-L-phenylalanine, GLYCEROL, ... | Authors: | Cooley, R.B, Karplus, P.A, Mehl, R.A. | Deposit date: | 2014-04-13 | Release date: | 2014-07-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Gleaning Unexpected Fruits from Hard-Won Synthetases: Probing Principles of Permissivity in Non-canonical Amino Acid-tRNA Synthetases. Chembiochem, 15, 2014
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4PH4
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![BU of 4ph4 by Molmil](/molmil-images/mine/4ph4) | The crystal structure of Human VPS34 in complex with PIK-III | Descriptor: | 4'-(cyclopropylmethyl)-N~2~-(pyridin-4-yl)-4,5'-bipyrimidine-2,2'-diamine, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3 | Authors: | Knapp, M.S, Elling, R.A. | Deposit date: | 2014-05-04 | Release date: | 2014-10-29 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Selective VPS34 inhibitor blocks autophagy and uncovers a role for NCOA4 in ferritin degradation and iron homeostasis in vivo. Nat.Cell Biol., 16, 2014
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4PBS
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![BU of 4pbs by Molmil](/molmil-images/mine/4pbs) | |
3LGT
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![BU of 3lgt by Molmil](/molmil-images/mine/3lgt) | |
3LH3
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![BU of 3lh3 by Molmil](/molmil-images/mine/3lh3) | DFP modified DegS delta PDZ | Descriptor: | Protease degS | Authors: | Sohn, J, Grant, R.A, Sauer, R.T. | Deposit date: | 2010-01-21 | Release date: | 2010-08-25 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Allostery is an intrinsic property of the protease domain of DegS: implications for enzyme function and evolution. J.Biol.Chem., 285, 2010
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4PBR
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![BU of 4pbr by Molmil](/molmil-images/mine/4pbr) | Crystal structure of the M. jannaschii G2 tRNA synthetase variant bound to 4-(2-bromoisobutyramido)-phenylalanine (BibaF) | Descriptor: | 4-[(2-bromo-2-methylpropanoyl)amino]-L-phenylalanine, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Cooley, R.B, Karplus, P.A, Mehl, R.A. | Deposit date: | 2014-04-13 | Release date: | 2014-07-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Gleaning Unexpected Fruits from Hard-Won Synthetases: Probing Principles of Permissivity in Non-canonical Amino Acid-tRNA Synthetases. Chembiochem, 15, 2014
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3M19
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![BU of 3m19 by Molmil](/molmil-images/mine/3m19) | |
1OIR
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![BU of 1oir by Molmil](/molmil-images/mine/1oir) | Imidazopyridines: a potent and selective class of Cyclin-dependent Kinase inhibitors identified through Structure-based hybridisation | Descriptor: | 1-(DIMETHYLAMINO)-3-(4-{{4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN-3-YL)PYRIMIDIN-2-YL]AMINO}PHENOXY)PROPAN-2-OL, CELL DIVISION PROTEIN KINASE 2 | Authors: | Beattie, J.F, Breault, G.A, Byth, K.F, Culshaw, J.D, Ellston, R.P.A, Green, S, Minshull, C.A, Norman, R.A, Pauptit, R.A, Thomas, A.P, Jewsbury, P.J. | Deposit date: | 2003-06-24 | Release date: | 2003-09-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Imidazo[1,2-A]Pyridines: A Potent and Selective Class of Cyclin-Dependent Kinase Inhibitors Identified Through Structure-Based Hybridisation Bioorg.Med.Chem.Lett., 13, 2003
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3MC0
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![BU of 3mc0 by Molmil](/molmil-images/mine/3mc0) | Crystal Structure of Staphylococcal Enterotoxin G (SEG) in Complex with a Mouse T-cell Receptor beta Chain | Descriptor: | ACETATE ION, Enterotoxin SEG, variable beta 8.2 mouse T cell receptor | Authors: | Fernandez, M.M, Cho, S, Robinson, H, Mariuzza, R.A, Malchiodi, E.L. | Deposit date: | 2010-03-26 | Release date: | 2010-10-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of staphylococcal enterotoxin G (SEG) in complex with a mouse T-cell receptor {beta} chain. J.Biol.Chem., 286, 2011
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4PBU
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![BU of 4pbu by Molmil](/molmil-images/mine/4pbu) | Serial Time-resolved crystallography of Photosystem II using a femtosecond X-ray laser The S1 state | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE, ... | Authors: | Kupitz, C, Basu, S, Grotjohann, I, Fromme, R, Zatsepin, N, Rendek, K.N, Hunter, M, Shoeman, R.L, White, T.A, Wang, D, James, D, Yang, J.H, Cobb, D.E, Reeder, B, Sierra, R.G, Liu, H, Barty, A, Aquila, A, Deponte, D, Kirian, R.A, Bari, S, Bergkamp, J.J, Beyerlein, K, Bogan, M.J, Caleman, C, Chao, T.-C, Conrad, C.E, Davis, K.M, Fleckenstein, H, Galli, L, Hau-Riege, S.P, Kassemeyer, S, Laksmono, H, Liang, M, Lomb, L, Marchesini, S, Martin, A.V, Messerschmidt, M, Milathianaki, D, Nass, K, Ros, A, Roy-Chowdhury, S, Schmidt, K, Seibert, M, Steinbrener, J, Stellato, F, Yan, L, Yoon, C, Moore, T.A, Moore, A.L, Pushkar, Y, Williams, G.J, Boutet, S, Doak, R.B, Weierstall, U, Frank, M, Chapman, H.N, Spence, J.C.H, Fromme, P. | Deposit date: | 2014-04-13 | Release date: | 2014-07-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (5 Å) | Cite: | Serial time-resolved crystallography of photosystem II using a femtosecond X-ray laser. Nature, 513, 2014
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6I9B
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![BU of 6i9b by Molmil](/molmil-images/mine/6i9b) | NMR structure of the La module from human LARP4A | Descriptor: | La-related protein 4 | Authors: | Conte, M.R, Martino, L, Atkinson, R.A, Kelly, G, Cruz-Gallardo, I, De Tito, S, Trotta, R. | Deposit date: | 2018-11-22 | Release date: | 2019-03-13 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | LARP4A recognizes polyA RNA via a novel binding mechanism mediated by disordered regions and involving the PAM2w motif, revealing interplay between PABP, LARP4A and mRNA. Nucleic Acids Res., 47, 2019
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3MQ1
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![BU of 3mq1 by Molmil](/molmil-images/mine/3mq1) | Crystal Structure of Dust Mite Allergen Der p 5 | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Mite allergen Der p 5, ... | Authors: | Mueller, G.A, Gosavi, R.A, Krahn, J.M, Edwards, L.L, Cuneo, M.J, Glesner, J, Pomes, A, Chapman, M.D, London, R.E, Pedersen, L.C. | Deposit date: | 2010-04-27 | Release date: | 2010-06-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Der p 5 crystal structure provides insight into the group 5 dust mite allergens. J.Biol.Chem., 285, 2010
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5FQV
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![BU of 5fqv by Molmil](/molmil-images/mine/5fqv) | Selective estrogen receptor downregulator antagonists: Tetrahydroisoquinoline phenols 5. | Descriptor: | (E)-3-[4-(6-hydroxy-2-isobutyl-7-methyl-3,4-dihydro-1H-isoquinolin-1-yl)phenyl]prop-2-enoic acid, ESTROGEN RECEPTOR ALPHA | Authors: | Scott, J.S, bailey, A, Davies, R.D.M, Degorce, S.L, MacFaul, P.A, Gingell, H, Moss, T, Norman, R.A, Pink, J.H, Rabow, A.A, Roberts, B, Smith, P.D. | Deposit date: | 2015-12-14 | Release date: | 2016-02-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Tetrahydroisoquinoline Phenols: Selective Estrogen Receptor Downregulator Antagonists with Oral Bioavailability in Rat. Acs Med.Chem.Lett., 7, 2016
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5FJY
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![BU of 5fjy by Molmil](/molmil-images/mine/5fjy) | Crystal structure of mouse kinesin light chain 2 (residues 161-480) | Descriptor: | KINESIN LIGHT CHAIN 2, UNKNOWN PEPTIDE | Authors: | Pernigo, S, Yip, Y.Y, Sanger, A, Xu, M, Dodding, M.P, Steiner, R.A. | Deposit date: | 2015-10-14 | Release date: | 2016-02-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | The Light Chains of Kinesin-1 are Autoinhibited. Proc.Natl.Acad.Sci.USA, 113, 2016
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4YUH
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![BU of 4yuh by Molmil](/molmil-images/mine/4yuh) | Multiconformer synchrotron model of CypA at 150 K | Descriptor: | Peptidyl-prolyl cis-trans isomerase A | Authors: | Keedy, D.A, Kenner, L.R, Warkentin, M, Woldeyes, R.A, Thompson, M.C, Brewster, A.S, Van Benschoten, A.H, Baxter, E.L, Hopkins, J.B, Uervirojnangkoorn, M, McPhillips, S.E, Song, J, Mori, R.A, Holton, J.M, Weis, W.I, Brunger, A.T, Soltis, M, Lemke, H, Gonzalez, A, Sauter, N.K, Cohen, A.E, van den Bedem, H, Thorne, R.E, Fraser, J.S. | Deposit date: | 2015-03-18 | Release date: | 2015-10-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography. Elife, 4, 2015
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