2XB4
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![BU of 2xb4 by Molmil](/molmil-images/mine/2xb4) | Crystal structures of zinc containing Adenylate kinase from Desulfovibrio gigas | Descriptor: | ADENYLATE KINASE, S,R MESO-TARTARIC ACID, ZINC ION | Authors: | Mukhopadhyay, A, Kladova, A.V, Gavel, O.Y, Calvete, J.J, Shnyrov, V.L, Moura, I, Moura, J.J.G, Bursakov, S.A, Romao, M.J, Trincao, J. | Deposit date: | 2010-04-05 | Release date: | 2010-09-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of the Zinc-, Cobalt-, and Iron-Containing Adenylate Kinase from Desulfovibrio Gigas: A Novel Metal-Containing Adenylate Kinase from Gram-Negative Bacteria. J.Biol.Inorg.Chem., 16, 2011
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7JI1
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![BU of 7ji1 by Molmil](/molmil-images/mine/7ji1) | |
7RDV
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![BU of 7rdv by Molmil](/molmil-images/mine/7rdv) | |
5N6A
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![BU of 5n6a by Molmil](/molmil-images/mine/5n6a) | Cardiac muscle myosin motor domain in the pre-powerstroke state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Planelles-Herrero, V.J, Hartman, J.J, Robert-Paganin, J, Malik, F.I, Houdusse, A. | Deposit date: | 2017-02-14 | Release date: | 2017-08-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Mechanistic and structural basis for activation of cardiac myosin force production by omecamtiv mecarbil. Nat Commun, 8, 2017
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5VZL
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![BU of 5vzl by Molmil](/molmil-images/mine/5vzl) | cryo-EM structure of the Cas9-sgRNA-AcrIIA4 anti-CRISPR complex | Descriptor: | CRISPR-associated endonuclease Cas9, phage anti-CRISPR AcrIIA4, single guide RNA (116-MER) | Authors: | Jiang, F, Liu, J.J, Nogales, E, Doudna, J.A. | Deposit date: | 2017-05-29 | Release date: | 2017-07-26 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Disabling Cas9 by an anti-CRISPR DNA mimic. Sci Adv, 3, 2017
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3HDH
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![BU of 3hdh by Molmil](/molmil-images/mine/3hdh) | PIG HEART SHORT CHAIN L-3-HYDROXYACYL COA DEHYDROGENASE REVISITED: SEQUENCE ANALYSIS AND CRYSTAL STRUCTURE DETERMINATION | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PROTEIN (L-3-HYDROXYACYL COA DEHYDROGENASE) | Authors: | Barycki, J.J, O'Brien, L.K, Birktoft, J.J, Strauss, A.W, Banaszak, L.J. | Deposit date: | 1999-04-13 | Release date: | 1999-10-08 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Pig heart short chain L-3-hydroxyacyl-CoA dehydrogenase revisited: sequence analysis and crystal structure determination. Protein Sci., 8, 1999
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1MHJ
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![BU of 1mhj by Molmil](/molmil-images/mine/1mhj) | |
1HTM
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![BU of 1htm by Molmil](/molmil-images/mine/1htm) | STRUCTURE OF INFLUENZA HAEMAGGLUTININ AT THE PH OF MEMBRANE FUSION | Descriptor: | HEMAGGLUTININ HA1 CHAIN, HEMAGGLUTININ HA2 CHAIN | Authors: | Bullough, P.A, Hughson, F.M, Skehel, J.J, Wiley, D.C. | Deposit date: | 1994-11-02 | Release date: | 1995-02-14 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of influenza haemagglutinin at the pH of membrane fusion. Nature, 371, 1994
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1MUE
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![BU of 1mue by Molmil](/molmil-images/mine/1mue) | Thrombin-Hirugen-L405,426 | Descriptor: | 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(1-OXIDO-2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUOROPHENYL)METHYL]ACETAMIDE, HIRUDIN IIB, THROMBIN | Authors: | Burgey, C.S, Robinson, K.A, Lyle, T.A, Nantermet, P.G, Selnick, H.G, Isaacs, R.C, Lewis, S.D, Lucas, B.J, Krueger, J.A, Singh, R, Miller-Stein, C, White, R.B, Wong, B, Lyle, E.A, Stranieri, M.T, Cook, J.J, McMasters, D.R, Pellicore, J.M, Pal, S, Wallace, A.A, Clayton, F.C, Bohn, D, Welsh, D.C, Lynch, J.J, Yan, Y, Chen, Z, Kuo, L, Gardell, S.J, Shafer, J.A, Vacca, J.P. | Deposit date: | 2002-09-23 | Release date: | 2004-04-06 | Last modified: | 2013-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Pharmacokinetic optimization of 3-amino-6-chloropyrazinone acetamide thrombin inhibitors. Implementation of P3 pyridine N-oxides to deliver an orally bioavailable series containing P1 N-benzylamides. Bioorg.Med.Chem.Lett., 13, 2003
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5HMG
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![BU of 5hmg by Molmil](/molmil-images/mine/5hmg) | REFINEMENT OF THE INFLUENZA VIRUS HEMAGGLUTININ BY SIMULATED ANNEALING | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain, ... | Authors: | Weis, W.I, Bruenger, A.T, Skehel, J.J, Wiley, D.C. | Deposit date: | 1989-09-11 | Release date: | 1991-01-15 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Refinement of the influenza virus hemagglutinin by simulated annealing. J.Mol.Biol., 212, 1990
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1P30
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![BU of 1p30 by Molmil](/molmil-images/mine/1p30) | Refinement of Adenovirus Type 5 Hexon with CNS | Descriptor: | Hexon protein | Authors: | Rux, J.J, Kuser, P.R, Burnett, R.M. | Deposit date: | 2003-04-16 | Release date: | 2003-11-11 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural and phylogenetic analysis of adenovirus hexons by use of
high-resolution x-ray crystallographic, molecular modeling, and sequence-based
methods J.VIROL., 77, 2003
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1MU8
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![BU of 1mu8 by Molmil](/molmil-images/mine/1mu8) | thrombin-hirugen_l-378,650 | Descriptor: | 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-3-METHYL-6-PYRIDINYL)METHYL]ACETAMIDE, HIRUDIN IIB, THROMBIN | Authors: | Burgey, C.S, Robinson, K.A, Lyle, T.A, Sanderson, P.E, Lewis, S.D, Lucas, B.J, Krueger, J.A, Singh, R, Miller-Stein, C, White, R.B, Wong, B, Lyle, E.A, Williams, P.D, Coburn, C.A, Dorsey, B.D, Barrow, J.C, Stranieri, M.T, Holahan, M.A, Sitko, G.R, Cook, J.J, McMasters, D.R, McDonough, C.M, Sanders, W.M, Wallace, A.A, Clayton, F.C, Bohn, D, Leonard, Y.M, Detwiler Jr, T.J, Lynch Jr, J.J, Yan, Y, Chen, Z, Kuo, L, Gardell, S.J, Shafer, J.A, Vacca, J.P.J. | Deposit date: | 2002-09-23 | Release date: | 2004-04-06 | Last modified: | 2021-07-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Metabolism-directed optimization of 3-aminopyrazinone acetamide thrombin inhibitors. Development of an orally bioavailable series containing P1 and P3 pyridines. J.Med.Chem., 46, 2003
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1MU6
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![BU of 1mu6 by Molmil](/molmil-images/mine/1mu6) | Crystal Structure of Thrombin in Complex with L-378,622 | Descriptor: | 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-6-PYRIDINYL)METHYL]ACETAMIDE, HIRUDIN IIB, THROMBIN | Authors: | Burgey, C.S, Robinson, K.A, Lyle, T.A, Sanderson, P.E, Lewis, S.D, Lucas, B.J, Krueger, J.A, Singh, R, Miller-Stein, C, White, R.B, Wong, B, Lyle, E.A, Williams, P.D, Coburn, C.A, Dorsey, B.D, Barrow, J.C, Stranieri, M.T, Holahan, M.A, Sitko, G.R, Cook, J.J, McMasters, D.R, McDonough, C.M, Sanders, W.M, Wallace, A.A, Clayton, F.C, Bohn, D, Leonard, Y.M, Detwiler Jr, T.J, Lynch Jr, J.J, Yan, Y, Chen, Z, Kuo, L, Gardell, S.J, Shafer, J.A, Vacca, J.P.J. | Deposit date: | 2002-09-23 | Release date: | 2004-04-06 | Last modified: | 2021-07-21 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Metabolism-directed optimization of 3-aminopyrazinone acetamide thrombin inhibitors. Development of an orally bioavailable series containing P1 and P3 pyridines. J.Med.Chem., 46, 2003
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1HOV
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![BU of 1hov by Molmil](/molmil-images/mine/1hov) | SOLUTION STRUCTURE OF A CATALYTIC DOMAIN OF MMP-2 COMPLEXED WITH SC-74020 | Descriptor: | CALCIUM ION, MATRIX METALLOPROTEINASE-2, N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-SULFAMOYL]-4-PENTYL-BENZAMIDE, ... | Authors: | Feng, Y, Likos, J.J, Zhu, L, Woodward, H, Munie, G, McDonald, J.J, Stevens, A.M, Howard, C.P, De Crescenzo, G.A, Welsch, D, Shieh, H.-S, Stallings, W.C. | Deposit date: | 2000-12-11 | Release date: | 2001-12-12 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure and backbone dynamics of the catalytic domain of matrix metalloproteinase-2 complexed with a hydroxamic acid inhibitor Biochim.Biophys.Acta, 1598, 2002
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1P2Z
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![BU of 1p2z by Molmil](/molmil-images/mine/1p2z) | Refinement of Adenovirus Type 2 Hexon with CNS | Descriptor: | CITRIC ACID, Hexon protein | Authors: | Rux, J.J, Kuser, P.R, Burnett, R.M. | Deposit date: | 2003-04-16 | Release date: | 2003-11-11 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and phylogenetic analysis of adenovirus hexons by use of
high-resolution x-ray crystallographic, molecular modeling, and sequence-based
methods J.VIROL., 77, 2003
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1QFU
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![BU of 1qfu by Molmil](/molmil-images/mine/1qfu) | INFLUENZA VIRUS HEMAGGLUTININ COMPLEXED WITH A NEUTRALIZING ANTIBODY | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, PROTEIN (HEMAGGLUTININ (HA1 CHAIN)), ... | Authors: | Fleury, D, Gigant, B, Bizebard, T, Daniels, R.S, Skehel, J.J, Knossow, M. | Deposit date: | 1999-04-14 | Release date: | 1999-04-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A complex of influenza hemagglutinin with a neutralizing antibody that binds outside the virus receptor binding site. Nat.Struct.Biol., 6, 1999
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4OE5
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![BU of 4oe5 by Molmil](/molmil-images/mine/4oe5) | Structure of Human ALDH4A1 Crystallized in Space Group P21 | Descriptor: | Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial, MAGNESIUM ION, ... | Authors: | Tanner, J.J. | Deposit date: | 2014-01-11 | Release date: | 2014-02-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural Studies of Yeast Delta (1)-Pyrroline-5-carboxylate Dehydrogenase (ALDH4A1): Active Site Flexibility and Oligomeric State. Biochemistry, 53, 2014
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4OQU
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![BU of 4oqu by Molmil](/molmil-images/mine/4oqu) | Structure of the SAM-I/IV riboswitch (env87(deltaU92)) | Descriptor: | MAGNESIUM ION, S-ADENOSYLMETHIONINE, SAM-I/IV riboswitch | Authors: | Trausch, J.J, Reyes, F.E, Edwards, A.L, Batey, R.T. | Deposit date: | 2014-02-10 | Release date: | 2014-06-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural basis for diversity in the SAM clan of riboswitches. Proc.Natl.Acad.Sci.USA, 111, 2014
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4OE4
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![BU of 4oe4 by Molmil](/molmil-images/mine/4oe4) | Crystal Structure of Yeast ALDH4A1 Complexed with NAD+ | Descriptor: | Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Tanner, J.J. | Deposit date: | 2014-01-11 | Release date: | 2014-02-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.168 Å) | Cite: | Structural Studies of Yeast Delta (1)-Pyrroline-5-carboxylate Dehydrogenase (ALDH4A1): Active Site Flexibility and Oligomeric State. Biochemistry, 53, 2014
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2MXC
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![BU of 2mxc by Molmil](/molmil-images/mine/2mxc) | Solution structure of the full length sorting nexin 3 | Descriptor: | Sorting nexin-3 | Authors: | Lenoir, M.M.L, Rajesh, S.S.R, Gruenberg, J.J.G, Overduin, M.M.O, Kaur, J.J.K. | Deposit date: | 2014-12-20 | Release date: | 2016-05-04 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Phosphorylation of conserved phosphoinositide binding pocket regulates sorting nexin membrane targeting. Nat Commun, 9, 2018
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4HMG
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![BU of 4hmg by Molmil](/molmil-images/mine/4hmg) | REFINEMENT OF THE INFLUENZA VIRUS HEMAGGLUTININ BY SIMULATED ANNEALING | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HEMAGGLUTININ, CHAIN HA1, ... | Authors: | Weis, W.I, Bruenger, A.T, Skehel, J.J, Wiley, D.C. | Deposit date: | 1989-09-11 | Release date: | 1991-01-15 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Refinement of the influenza virus hemagglutinin by simulated annealing. J.Mol.Biol., 212, 1990
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1GP5
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![BU of 1gp5 by Molmil](/molmil-images/mine/1gp5) | Anthocyanidin synthase from Arabidopsis thaliana complexed with trans-dihydroquercetin | Descriptor: | (2R,3R)-2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE, (2S,3S)-2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Wilmouth, R.C, Turnbull, J.J, Welford, R.W.D, Clifton, I.J, Prescott, A.G, Schofield, C.J. | Deposit date: | 2001-10-30 | Release date: | 2002-02-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure and Mechanism of Anthocyanidin Synthase from Arabidopsis Thaliana. Structure, 10, 2002
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1P7K
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![BU of 1p7k by Molmil](/molmil-images/mine/1p7k) | Crystal structure of an anti-ssDNA antigen-binding fragment (Fab) bound to 4-(2-Hydroxyethyl)piperazine-1-ethanesulfonic acid (HEPES) | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Schuermann, J.P, Henzl, M.T, Deutscher, S.L, Tanner, J.J. | Deposit date: | 2003-05-02 | Release date: | 2004-05-11 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure of an anti-DNA fab complexed with a non-DNA ligand provides insights into cross-reactivity and molecular mimicry. Proteins, 57, 2004
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6BZH
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![BU of 6bzh by Molmil](/molmil-images/mine/6bzh) | Structure of mouse RIG-I tandem CARDs | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Probable ATP-dependent RNA helicase DDX58 | Authors: | Kershaw, N.J, D'Cruz, A.A, Babon, J.J, Nicholson, S.E. | Deposit date: | 2017-12-24 | Release date: | 2018-01-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Identification of a second binding site on the TRIM25 B30.2 domain. Biochem. J., 475, 2018
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1NOP
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![BU of 1nop by Molmil](/molmil-images/mine/1nop) | Crystal structure of human tyrosyl-DNA phosphodiesterase (Tdp1) in complex with vanadate, DNA and a human topoisomerase I-derived peptide | Descriptor: | 5'-D(*AP*GP*AP*GP*TP*T)-3', VANADATE ION, topoisomerase I-derived peptide, ... | Authors: | Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G.J. | Deposit date: | 2003-01-16 | Release date: | 2003-03-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of a transition state mimic for Tdp1 assembled from vanadate, DNA, and a topoisomerase I-derived peptide Chem.Biol., 10, 2003
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