1O0A
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![BU of 1o0a by Molmil](/molmil-images/mine/1o0a) | BACTERIORHODOPSIN L INTERMEDIATE AT 1.62 A RESOLUTION | Descriptor: | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, 2,10,23-TRIMETHYL-TETRACOSANE, Bacteriorhodopsin, ... | Authors: | Lanyi, J.K. | Deposit date: | 2003-02-20 | Release date: | 2003-04-22 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Mechanism of proton transport in bacteriorhodopsin from crystallographic structures of the
K, L, M1, M2, and M2' intermediates of the photocycle. J.Mol.Biol., 328, 2003
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4MES
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1WOP
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![BU of 1wop by Molmil](/molmil-images/mine/1wop) | Crystal Structure of T-protein of the Glycine Cleavage System | Descriptor: | Aminomethyltransferase, N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid | Authors: | Lee, H.H, Kim, D.J, Ahn, H.J, Ha, J.Y, Suh, S.W. | Deposit date: | 2004-08-24 | Release date: | 2004-09-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of T-protein of the Glycine Cleavage System: Cofactor binding, insights into H-protein recognition, and molecular basis for understanding nonketotic hyperglycinemia J.Biol.Chem., 279, 2004
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4PA5
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![BU of 4pa5 by Molmil](/molmil-images/mine/4pa5) | Tgl - a bacterial spore coat transglutaminase - cystamine complex | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-ETHANETHIOL, CITRATE ANION, ... | Authors: | Brito, J.A, Placido, D, Fernandes, C.G, Lousa, D, Isidro, A, Soares, C.M, Pohl, J, Carrondo, M.A, Henriques, A.O, Archer, M. | Deposit date: | 2014-04-07 | Release date: | 2015-09-30 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Structural and Functional Characterization of an Ancient Bacterial Transglutaminase Sheds Light on the Minimal Requirements for Protein Cross-Linking. Biochemistry, 54, 2015
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4D64
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3PSY
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![BU of 3psy by Molmil](/molmil-images/mine/3psy) | Endothiapepsin in complex with an inhibitor based on the Gewald reaction | Descriptor: | DIMETHYL SULFOXIDE, Endothiapepsin, GLYCEROL, ... | Authors: | Koester, H, Heine, A, Klebe, G. | Deposit date: | 2010-12-02 | Release date: | 2011-12-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Tracing binding modes in hit-to-lead optimization: chameleon-like poses of aspartic protease inhibitors. Angew.Chem.Int.Ed.Engl., 54, 2015
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4LY1
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5U5Q
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![BU of 5u5q by Molmil](/molmil-images/mine/5u5q) | 12 Subunit RNA Polymerase II at Room Temperature collected using SFX | Descriptor: | DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ... | Authors: | Bushnell, D.A, Oberthur, D, Mariani, V, Yefanov, O, Tolstikova, A, Barty, A. | Deposit date: | 2016-12-07 | Release date: | 2017-03-29 | Last modified: | 2019-11-27 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Double-flow focused liquid injector for efficient serial femtosecond crystallography. Sci Rep, 7, 2017
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4M5Y
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![BU of 4m5y by Molmil](/molmil-images/mine/4m5y) | Crystal structure of broadly neutralizing Fab 5J8 | Descriptor: | DI(HYDROXYETHYL)ETHER, Fab 5J8 heavy chain, Fab 5J8 light chain, ... | Authors: | Lee, P.S, Wilson, I.A. | Deposit date: | 2013-08-08 | Release date: | 2013-09-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Antibody Recognition of the Pandemic H1N1 Influenza Virus Hemagglutinin Receptor Binding Site. J.Virol., 87, 2013
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4PY0
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![BU of 4py0 by Molmil](/molmil-images/mine/4py0) | Crystal structure of P2Y12 receptor in complex with 2MeSATP | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(methylsulfanyl)adenosine 5'-(tetrahydrogen triphosphate), P2Y purinoceptor 12, ... | Authors: | Zhang, J, Zhang, K, Gao, Z.G, Paoletta, S, Zhang, D, Han, G.W, Li, T, Ma, L, Zhang, W, Muller, C.E, Yang, H, Jiang, H, Cherezov, V, Katritch, V, Jacobson, K.A, Stevens, R.C, Wu, B, Zhao, Q, GPCR Network (GPCR) | Deposit date: | 2014-03-25 | Release date: | 2014-04-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Agonist-bound structure of the human P2Y12 receptor Nature, 509, 2014
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2HJH
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![BU of 2hjh by Molmil](/molmil-images/mine/2hjh) | Crystal Structure of the Sir2 deacetylase | Descriptor: | (2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]OXY}METHYL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL ACETATE, NAD-dependent histone deacetylase SIR2, NICOTINAMIDE, ... | Authors: | Hall, B.E, Ellenberger, T.E. | Deposit date: | 2006-06-30 | Release date: | 2008-04-08 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Autoregulation of the yeast Sir2 deacetylase by reaction and trapping of a pseudosubstrate motif in the active site To be Published
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5TWM
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![BU of 5twm by Molmil](/molmil-images/mine/5twm) | CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS GENOTYPE 2A STRAIN JFH1 L30S NS5B RNA-DEPENDENT RNA POLYMERASE IN COMPLEX WITH 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide, NS5B RNA-dependent RNA POLYMERASE, ... | Authors: | Sheriff, S. | Deposit date: | 2016-11-14 | Release date: | 2017-03-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | The discovery of a pan-genotypic, primer grip inhibitor of HCV NS5B polymerase. Medchemcomm, 8, 2017
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2DRD
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![BU of 2drd by Molmil](/molmil-images/mine/2drd) | Crystal structure of a multidrug transporter reveal a functionally rotating mechanism | Descriptor: | (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE, ACRB | Authors: | Murakami, S, Nakashima, R, Yamashita, E, Matsumoto, T. | Deposit date: | 2006-06-08 | Release date: | 2006-08-22 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal structures of a multidrug transporter reveal a functionally rotating mechanism Nature, 443, 2006
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1P8H
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![BU of 1p8h by Molmil](/molmil-images/mine/1p8h) | BACTERIORHODOPSIN M1 INTERMEDIATE PRODUCED AT ROOM TEMPERATURE | Descriptor: | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, 2,10,23-TRIMETHYL-TETRACOSANE, Bacteriorhodopsin, ... | Authors: | Lanyi, J.K. | Deposit date: | 2003-05-07 | Release date: | 2003-07-07 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Crystallographic Structures of the M and N Intermediates of Bacteriorhodopsin: Assembly of a Hydrogen-Bonded Chain of Water Molecules between Asp-96 and the Retinal Schiff Base J.Mol.Biol., 330, 2003
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4BRY
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![BU of 4bry by Molmil](/molmil-images/mine/4bry) | The Idas:Geminin heterodimeric parallel coiled-coil | Descriptor: | GEMININ, MULTICILIN, PHOSPHATE ION, ... | Authors: | Caillat, C, Perrakis, A. | Deposit date: | 2013-06-06 | Release date: | 2013-10-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | The Geminin and Idas Coiled Coils Preferentially Form a Heterodimer that Inhibits Geminin Function in DNA Replication Licensing J.Biol.Chem., 288, 2013
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4Q7Q
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![BU of 4q7q by Molmil](/molmil-images/mine/4q7q) | The crystal structure of a possible lipase from Chitinophaga pinensis DSM 2588 | Descriptor: | CHLORIDE ION, FORMIC ACID, Lipolytic protein G-D-S-L family, ... | Authors: | Tan, K, Tesar, C, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2014-04-25 | Release date: | 2014-05-14 | Method: | X-RAY DIFFRACTION (1.451 Å) | Cite: | The crystal structure of a possible lipase from Chitinophaga pinensis DSM 2588 To be Published
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4C0X
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![BU of 4c0x by Molmil](/molmil-images/mine/4c0x) | The crystal strucuture of PpAzoR in complex with anthraquinone-2- sulfonate | Descriptor: | 9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid, FLAVIN MONONUCLEOTIDE, FMN-DEPENDENT NADH-AZOREDUCTASE 1, ... | Authors: | Goncalves, A.M.D, de Sanctis, D, Bento, I. | Deposit date: | 2013-08-08 | Release date: | 2013-10-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.499 Å) | Cite: | The Crystal Structure of Pseudomonas Putida Azor: The Active Site Revisited. FEBS J., 280, 2013
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4QJ4
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![BU of 4qj4 by Molmil](/molmil-images/mine/4qj4) | Structure of a fragment of human phospholipase C-beta3 delta472-569, bound to IP3 and in complex with Galphaq | Descriptor: | 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-3, CALCIUM ION, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, ... | Authors: | Lyon, A.M, Tesmer, J.J.G. | Deposit date: | 2014-06-03 | Release date: | 2014-10-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Molecular mechanisms of phospholipase C beta 3 autoinhibition. Structure, 22, 2014
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5QRA
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![BU of 5qra by Molmil](/molmil-images/mine/5qra) | PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z1101755952 | Descriptor: | 5-aminolevulinate synthase, erythroid-specific, mitochondrial, ... | Authors: | Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W. | Deposit date: | 2019-05-22 | Release date: | 2019-08-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | PanDDA analysis group deposition To Be Published
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4E1K
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![BU of 4e1k by Molmil](/molmil-images/mine/4e1k) | GlmU in complex with a Quinazoline Compound | Descriptor: | Bifunctional protein GlmU, N-{4-[(7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl}benzamide, SULFATE ION, ... | Authors: | Larsen, N.A, Doig, P. | Deposit date: | 2012-03-06 | Release date: | 2013-05-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | An aminoquinazoline inhibitor of the essential bacterial cell wall synthetic enzyme GlmU has a unique non-protein-kinase-like binding mode. Biochem.J., 446, 2012
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4LXZ
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![BU of 4lxz by Molmil](/molmil-images/mine/4lxz) | Structure of Human HDAC2 in complex with SAHA (vorinostat) | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CALCIUM ION, Histone deacetylase 2, ... | Authors: | Fong, R, Lupardus, P.J. | Deposit date: | 2013-07-30 | Release date: | 2013-08-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Histone Deacetylase (HDAC) Inhibitor Kinetic Rate Constants Correlate with Cellular Histone Acetylation but Not Transcription and Cell Viability. J.Biol.Chem., 288, 2013
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4M0M
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![BU of 4m0m by Molmil](/molmil-images/mine/4m0m) | The crystal structure of a functionally unknown protein lpg2422 from Legionella pneumophila subsp. pneumophila str. Philadelphia 1 | Descriptor: | PHOSPHATE ION, Putative uncharacterized protein, TETRAETHYLENE GLYCOL | Authors: | Tan, K, Li, H, Clancy, S, Shuman, H, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2013-08-01 | Release date: | 2013-08-21 | Method: | X-RAY DIFFRACTION (2.192 Å) | Cite: | The crystal structure of a functionally unknown protein lpg2422 from Legionella pneumophila subsp. pneumophila str. Philadelphia 1 To be Published
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2DDY
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![BU of 2ddy by Molmil](/molmil-images/mine/2ddy) | Solution Structure of Matrilysin (MMP-7) Complexed to Constraint Conformational Sulfonamide Inhibitor | Descriptor: | (1R)-N,6-DIHYDROXY-7-METHOXY-2-[(4-METHOXYPHENYL)SULFONYL]-1,2,3,4-TETRAHYDROISOQUINOLINE-1-CARBOXAMIDE, CALCIUM ION, Matrilysin, ... | Authors: | Zheng, X.H, Ou, L. | Deposit date: | 2006-02-06 | Release date: | 2007-02-06 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution Structure of Matrilysin (MMP-7) Complexed to Constraint Conformational Sulfonamide Inhibitor to be published
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3SLH
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![BU of 3slh by Molmil](/molmil-images/mine/3slh) | 1.70 Angstrom resolution structure of 3-phosphoshikimate 1-carboxyvinyltransferase (AroA) from Coxiella burnetii in complex with shikimate-3-phosphate and glyphosate | Descriptor: | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, 1,2-ETHANEDIOL, 3-phosphoshikimate 1-carboxyvinyltransferase, ... | Authors: | Light, S.H, Minasov, G, Filippova, E.V, Krishna, S.N, Shuvalova, L, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2011-06-24 | Release date: | 2011-07-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 1.70 Angstrom resolution structure of 3-phosphoshikimate 1-carboxyvinyltransferase(AroA) from Coxiella burnetii in complex with shikimate-3-phosphate and glyphosate To be Published
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4M7Z
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![BU of 4m7z by Molmil](/molmil-images/mine/4m7z) | Unliganded 1 crystal structure of S25-26 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Haji-Ghassemi, O, Evans, S.V, Muller-Loennies, S, Saldova, R, Muniyappa, M, Brade, L, Rudd, P.M, Harvey, D.J, Kosma, P, Brade, H. | Deposit date: | 2013-08-12 | Release date: | 2014-04-09 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Groove-type Recognition of Chlamydiaceae-specific Lipopolysaccharide Antigen by a Family of Antibodies Possessing an Unusual Variable Heavy Chain N-Linked Glycan. J.Biol.Chem., 289, 2014
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