4UY0
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![BU of 4uy0 by Molmil](/molmil-images/mine/4uy0) | Conserved mechanisms of microtubule-stimulated ADP release, ATP binding, and force generation in transport kinesins | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Atherton, J, Farabella, I, Yu, I.M, Rosenfeld, S.S, Houdusse, A, Topf, M, Moores, C. | Deposit date: | 2014-08-27 | Release date: | 2014-09-24 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (7.7 Å) | Cite: | Conserved Mechanisms of Microtubule-Stimulated Adp Release, ATP Binding, and Force Generation in Transport Kinesins. Elife, 3, 2014
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4TVK
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![BU of 4tvk by Molmil](/molmil-images/mine/4tvk) | TORPEDO CALIFORNICA ACETYLCHOLINESTERASE IN COMPLEX WITH A CHLOROTACRINE-JUGLONE HYBRID INHIBITOR | Descriptor: | 2-({2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethyl}amino)-5-hydroxynaphthalene-1,4-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Pesaresi, A, Samez, S, Lamba, D. | Deposit date: | 2014-06-27 | Release date: | 2014-10-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Multitarget Drug Design Strategy: Quinone-Tacrine Hybrids Designed To Block Amyloid-beta Aggregation and To Exert Anticholinesterase and Antioxidant Effects. J.Med.Chem., 57, 2014
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4TZ8
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![BU of 4tz8 by Molmil](/molmil-images/mine/4tz8) | Structure of human ATAD2 bromodomain bound to fragment inhibitor | Descriptor: | 2-amino-7,7-dimethyl-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[5,4-c]azepin-4-one, ATPase family AAA domain-containing protein 2, CHLORIDE ION, ... | Authors: | Harner, M.J, Chauder, B.A, Phan, J, Fesik, S.W. | Deposit date: | 2014-07-09 | Release date: | 2014-10-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Fragment-Based Screening of the Bromodomain of ATAD2. J.Med.Chem., 57, 2014
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4U24
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![BU of 4u24 by Molmil](/molmil-images/mine/4u24) | Crystal structure of the E. coli ribosome bound to dalfopristin. | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Noeske, J, Huang, J, Olivier, N.B, Giacobbe, R.A, Zambrowski, M, Cate, J.H.D. | Deposit date: | 2014-07-16 | Release date: | 2014-07-30 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Synergy of streptogramin antibiotics occurs independently of their effects on translation. Antimicrob.Agents Chemother., 58, 2014
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7L9E
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![BU of 7l9e by Molmil](/molmil-images/mine/7l9e) | Crystal structure of apo-alpha glucosidase | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Karade, S.S, Mariuzza, R.A. | Deposit date: | 2021-01-03 | Release date: | 2021-12-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | N-Substituted Valiolamine Derivatives as Potent Inhibitors of Endoplasmic Reticulum alpha-Glucosidases I and II with Antiviral Activity. J.Med.Chem., 64, 2021
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4UXZ
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![BU of 4uxz by Molmil](/molmil-images/mine/4uxz) | Structure of delta7-DgkA-syn in 7.9 MAG to 2.18 angstrom resolution | Descriptor: | (2R)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate, (2S)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate, ACETATE ION, ... | Authors: | Li, D, Howe, N, Caffrey, M. | Deposit date: | 2014-08-27 | Release date: | 2015-09-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Ternary Structure Reveals Mechanism of a Membrane Diacylglycerol Kinase. Nat.Commun., 6, 2015
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4UAA
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![BU of 4uaa by Molmil](/molmil-images/mine/4uaa) | |
4U8A
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![BU of 4u8a by Molmil](/molmil-images/mine/4u8a) | Crystal structure of D(CGCGAATTCGCG)2 complexed with BPH-1503 | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION, N,N'-bis[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]biphenyl-4,4'-dicarboxamide | Authors: | Zhu, W, Oldfield, E. | Deposit date: | 2014-08-01 | Release date: | 2015-02-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Antibacterial drug leads: DNA and enzyme multitargeting. J.Med.Chem., 58, 2015
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4K21
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![BU of 4k21 by Molmil](/molmil-images/mine/4k21) | Crystal structure of Canavalia boliviana lectin in complex with Xman | Descriptor: | 5-bromo-4-chloro-1H-indol-3-yl alpha-D-mannopyranoside, CALCIUM ION, Canavalia boliviana lectin, ... | Authors: | Bezerra, G.A, Moura, T.R, Viertlmayr, R, Delatorre, P, Rocha, B.A.M, Nagano, C.S, Gruber, K, Cavada, B.S. | Deposit date: | 2013-04-07 | Release date: | 2014-04-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural Studies of an Anti-Inflammatory Lectin from Canavalia boliviana Seeds in Complex with Dimannosides. Plos One, 9, 2014
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4U26
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![BU of 4u26 by Molmil](/molmil-images/mine/4u26) | Crystal structure of the E. coli ribosome bound to dalfopristin and quinupristin. | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Noeske, J, Huang, J, Olivier, N.B, Giacobbe, R.A, Zambrowski, M, Cate, J.H.D. | Deposit date: | 2014-07-16 | Release date: | 2014-07-30 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Synergy of streptogramin antibiotics occurs independently of their effects on translation. Antimicrob.Agents Chemother., 58, 2014
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7LRY
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![BU of 7lry by Molmil](/molmil-images/mine/7lry) | Structure of HIV-1 Reverse Transcriptase in complex with DNA, (-)FTC-TP, and CA(2+) ion | Descriptor: | AMMONIUM ION, CALCIUM ION, DNA/RNA (38-MER), ... | Authors: | Hoang, A, Ruiz, F.X, Arnold, E. | Deposit date: | 2021-02-17 | Release date: | 2022-02-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural basis of HIV inhibition by L-nucleosides: Opportunities for drug development and repurposing. Drug Discov Today, 27, 2022
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1WA0
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![BU of 1wa0 by Molmil](/molmil-images/mine/1wa0) | Crystal Structure Of W138H Mutant Of Alcaligenes Xylosoxidans Nitrite Reductase | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, COPPER (II) ION, DISSIMILATORY COPPER-CONTAINING NITRITE REDUCTASE, ... | Authors: | Barrett, M.L, Harris, R.L, Antonyuk, S.V, Strange, R.W, Hough, M.A, Eady, R.R, Sawers, G, Hasnain, S.S. | Deposit date: | 2004-10-22 | Release date: | 2005-01-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Insights Into Redox Partner Interactions and Substrate Binding in Nitrite Reductase from Alcaligenes Xylosoxidans: Crystal Structures of the Trp138His and His313Gln Mutants Biochemistry, 43, 2004
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4W79
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![BU of 4w79 by Molmil](/molmil-images/mine/4w79) | Crystal Structure of Human Protein N-terminal Glutamine Amidohydrolase | Descriptor: | 1,2-ETHANEDIOL, CARBONATE ION, Protein N-terminal glutamine amidohydrolase, ... | Authors: | Bitto, E, Bingman, C.A, McCoy, J.G, Wesenberg, G.E, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG) | Deposit date: | 2014-08-21 | Release date: | 2014-09-17 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of human protein N-terminal glutamine amidohydrolase, an initial component of the N-end rule pathway. Plos One, 9, 2014
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1W9J
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![BU of 1w9j by Molmil](/molmil-images/mine/1w9j) | Myosin II Dictyostelium discoideum motor domain S456Y bound with MgADP-AlF4 | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Morris, C.A, Coureux, P.-D, Wells, A.L, Houdusse, A, Sweeney, H.L. | Deposit date: | 2004-10-13 | Release date: | 2006-03-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Function Analysis of Myosin II Backdoor Mutants To be Published
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6KML
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![BU of 6kml by Molmil](/molmil-images/mine/6kml) | 2.09 Angstrom resolution crystal structure of tetrameric HigBA toxin-antitoxin complex from E.coli | Descriptor: | Antitoxin HigA, mRNA interferase toxin HigB | Authors: | Jadhav, P, Sinha, V.K, Rothweiler, U, Singh, M. | Deposit date: | 2019-07-31 | Release date: | 2020-11-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.095 Å) | Cite: | 2.09 angstrom Resolution structure of E. coli HigBA toxin-antitoxin complex reveals an ordered DNA-binding domain and intrinsic dynamics in antitoxin. Biochem.J., 477, 2020
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4UA7
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![BU of 4ua7 by Molmil](/molmil-images/mine/4ua7) | |
4U6F
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![BU of 4u6f by Molmil](/molmil-images/mine/4u6f) | Crystal structure of T-2 toxin bound to the yeast 80S ribosome | Descriptor: | 12,13-Epoxytrichothec-9-ene-3,4,8,15-tetrol-4,15-diacetate-8-isovalerate, 18S ribosomal RNA, 25S ribosomal RNA, ... | Authors: | Garreau de Loubresse, N, Prokhorova, I, Yusupova, G, Yusupov, M. | Deposit date: | 2014-07-28 | Release date: | 2014-10-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural basis for the inhibition of the eukaryotic ribosome. Nature, 513, 2014
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6KTK
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![BU of 6ktk by Molmil](/molmil-images/mine/6ktk) | Crystal structure of scyllo-inositol dehydrogenase R178A mutant, complexed with NADH and L-glucono-1,5-lactone, from Paracoccus laeviglucosivorans | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, L-glucono-1,5-lactone, Scyllo-inositol dehydrogenase with L-glucose dehydrogenase activity, ... | Authors: | Suzuki, M, Koubara, K, Takenoya, M, Fukano, K, Ito, S, Sasaki, Y, Nakamura, A, Yajima, S. | Deposit date: | 2019-08-28 | Release date: | 2019-12-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Single amino acid mutation altered substrate specificity for L-glucose and inositol inscyllo-inositol dehydrogenase isolated fromParacoccus laeviglucosivorans. Biosci.Biotechnol.Biochem., 84, 2020
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6KR4
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![BU of 6kr4 by Molmil](/molmil-images/mine/6kr4) | Crystal structure of the liprin-alpha3_SAM123/LAR_D1D2 complex | Descriptor: | HEXAETHYLENE GLYCOL, Liprin-alpha-3, PHOSPHATE ION, ... | Authors: | Xie, X, Liang, M, Luo, L, Wei, Z. | Deposit date: | 2019-08-20 | Release date: | 2020-01-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structural basis of liprin-alpha-promoted LAR-RPTP clustering for modulation of phosphatase activity. Nat Commun, 11, 2020
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4UBT
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![BU of 4ubt by Molmil](/molmil-images/mine/4ubt) | Structure of the C93S variant of the 3-ketoacyl-CoA thiolase FadA5 from M. tuberculosis in complex with a steroid and CoA. | Descriptor: | (2S)-2-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid (non-preferred name), Acetyl-CoA acetyltransferase FadA5, CHLORIDE ION, ... | Authors: | Schaefer, C.M, Kisker, C. | Deposit date: | 2014-08-13 | Release date: | 2014-12-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | FadA5 a Thiolase from Mycobacterium tuberculosis: A Steroid-Binding Pocket Reveals the Potential for Drug Development against Tuberculosis. Structure, 23, 2015
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4UH9
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![BU of 4uh9 by Molmil](/molmil-images/mine/4uh9) | Structure of bovine endothelial nitric oxide synthase heme domain in complex with N1-(3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5- fluorophenyl)-N1,N2-dimethylethane-1,2-diamine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, GLYCEROL, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2015-03-23 | Release date: | 2015-07-15 | Last modified: | 2015-08-05 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | 2-Aminopyridines with a Truncated Side Chain to Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity. J.Med.Chem., 58, 2015
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4UH8
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![BU of 4uh8 by Molmil](/molmil-images/mine/4uh8) | Structure of bovine endothelial nitric oxide synthase heme domain in complex with N1-(5-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)pyridin-3- yl)-N1,N2-dimethylethane-1,2-diamine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, GLYCEROL, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2015-03-23 | Release date: | 2015-07-15 | Last modified: | 2015-08-05 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 2-Aminopyridines with a Truncated Side Chain to Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity. J.Med.Chem., 58, 2015
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4UHA
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![BU of 4uha by Molmil](/molmil-images/mine/4uha) | Structure of bovine endothelial nitric oxide synthase heme domain in complex with 3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5-(methyl(2-(methylamino)ethyl)amino)benzonitrile | Descriptor: | 3-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)-5-(METHYL(2-(METHYLAMINO)ETHYL)AMINO)BENZONITRILE, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2015-03-23 | Release date: | 2015-07-15 | Last modified: | 2019-01-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 2-Aminopyridines with a Truncated Side Chain To Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity. J. Med. Chem., 58, 2015
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4UHW
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![BU of 4uhw by Molmil](/molmil-images/mine/4uhw) | Human aldehyde oxidase | Descriptor: | ALDEHYDE OXIDASE, DIOXOTHIOMOLYBDENUM(VI) ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Coelho, C, Romao, M.J, Santos-Silva, T. | Deposit date: | 2015-03-26 | Release date: | 2015-09-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural Insights Into Xenobiotic and Inhibitor Binding to Human Aldehyde Oxidase Nat.Chem.Biol., 11, 2015
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4UBE
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![BU of 4ube by Molmil](/molmil-images/mine/4ube) | CRYSTAL STRUCTURE OF M TUBERCULOSIS ADENOSINE KINASE COMPLEXED WITH 2-FLURO ADENOSINE | Descriptor: | 2-(6-AMINO-2-FLUORO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, Adenosine kinase | Authors: | Reddy, M.C.M, Palaninathan, S.K, Shetty, N.D, Owen, J.L, Watson, M.D, Sacchettini, J.C. | Deposit date: | 2014-08-12 | Release date: | 2014-09-24 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.933 Å) | Cite: | CRYSTAL STRUCTURE OF M TUBERCULOSIS ADENOSINE KINASE COMPLEXED WITH 2-FLURO ADENOSINE TO BE PUBLISHED
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