1N40
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![BU of 1n40 by Molmil](/molmil-images/mine/1n40) | Atomic structure of CYP121, a mycobacterial P450 | Descriptor: | Cytochrome P450 121, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Leys, D, Mowat, C.G, McLean, K.J, Richmond, A, Chapman, S.K, Walkinshaw, M.D, Munro, A.W, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2002-10-30 | Release date: | 2003-02-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.06 Å) | Cite: | Atomic structure of Mycobacterium tuberculosis CYP121 to 1.06 A reveals novel features of cytochrome P450. J.Biol.Chem., 278, 2003
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1N3J
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![BU of 1n3j by Molmil](/molmil-images/mine/1n3j) | Structure and Substrate of a Histone H3 Lysine Methyltransferase from Paramecium Bursaria Chlorella Virus 1 | Descriptor: | Histone H3 Lysine Methyltransferase | Authors: | Manzur, K.L, Farooq, A, Zeng, L, Plotnikova, O, Sachchidanand, Koch, A.W, Zhou, M.-M. | Deposit date: | 2002-10-28 | Release date: | 2003-01-28 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | A dimeric viral SET domain methyltransferase specific to Lys27 of histone H3. Nat.Struct.Biol., 10, 2003
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1N4O
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1N57
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![BU of 1n57 by Molmil](/molmil-images/mine/1n57) | Crystal Structure of Chaperone Hsp31 | Descriptor: | Chaperone Hsp31, MAGNESIUM ION | Authors: | Quigley, P.M, Korotkov, K, Baneyx, F, Hol, W.G.J. | Deposit date: | 2002-11-04 | Release date: | 2003-03-18 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The 1.6A Crystal Structure of the Class of Chaperone Represented by
Escherichia coli Hsp31 Reveals a Putative Catalytic Triad Proc.Natl.Acad.Sci.USA, 100, 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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4GK9
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![BU of 4gk9 by Molmil](/molmil-images/mine/4gk9) | Crystal structure of Burkholderia oklahomensis agglutinin (BOA) bound to 3a,6a-mannopentaose | Descriptor: | IMIDAZOLE, SODIUM ION, agglutinin (BOA), ... | Authors: | Whitley, M.J, Furey, W, Gronenborn, A.M. | Deposit date: | 2012-08-10 | Release date: | 2013-05-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Burkholderia oklahomensis agglutinin is a canonical two-domain OAA-family lectin: structures, carbohydrate binding and anti-HIV activity. Febs J., 280, 2013
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1MX3
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![BU of 1mx3 by Molmil](/molmil-images/mine/1mx3) | Crystal structure of CtBP dehydrogenase core holo form | Descriptor: | ACETIC ACID, C-terminal binding protein 1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Kumar, V, Carlson, J.E, Ohgi, K.E, Edwards, T.E, Rose, D.W, Escalante, C.R, Aggarwal, A.K. | Deposit date: | 2002-10-01 | Release date: | 2002-12-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Transcription Corepressor CtBP Is an NAD+-Regulated Dehydrogenase Mol.Cell, 10, 2002
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8IMF
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![BU of 8imf by Molmil](/molmil-images/mine/8imf) | Human cGAS catalytic domain bound with baicalein | Descriptor: | 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one, Cyclic GMP-AMP synthase, ZINC ION | Authors: | Zhao, W.F, Xu, Y.C. | Deposit date: | 2023-03-06 | Release date: | 2024-01-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of novel cGAS inhibitors based on natural flavonoids. Bioorg.Chem., 140, 2023
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8IME
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![BU of 8ime by Molmil](/molmil-images/mine/8ime) | Human cGAS catalytic domain bound with baicalin | Descriptor: | 5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid, Cyclic GMP-AMP synthase, ZINC ION | Authors: | Zhao, W.F, Xu, Y.C. | Deposit date: | 2023-03-06 | Release date: | 2024-01-03 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Discovery of novel cGAS inhibitors based on natural flavonoids. Bioorg.Chem., 140, 2023
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8IMG
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![BU of 8img by Molmil](/molmil-images/mine/8img) | Human cGAS catalytic domain bound with C20 | Descriptor: | 2-[2-hydroxy-2-oxoethyl-[3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoyl]amino]ethanoic acid, Cyclic GMP-AMP synthase, ZINC ION | Authors: | Zhao, W.F, Li, J.M, Xu, Y.C. | Deposit date: | 2023-03-06 | Release date: | 2024-01-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of novel cGAS inhibitors based on natural flavonoids. Bioorg.Chem., 140, 2023
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4GUJ
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![BU of 4guj by Molmil](/molmil-images/mine/4guj) | 1.50 Angstrom Crystal Structure of the Salmonella enterica 3-Dehydroquinate Dehydratase (aroD) in Complex with Shikimate | Descriptor: | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, 3-dehydroquinate dehydratase, ZINC ION | Authors: | Light, S.H, Minasov, G, Duban, M.-E, Shuvalova, L, Kwon, K, Lavie, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-08-29 | Release date: | 2012-09-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structures of type I dehydroquinate dehydratase in complex with quinate and shikimate suggest a novel mechanism of schiff base formation. Biochemistry, 53, 2014
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4H4N
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![BU of 4h4n by Molmil](/molmil-images/mine/4h4n) | 1.1 Angstrom Crystal Structure of Hypothetical Protein BA_2335 from Bacillus anthracis | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, SULFATE ION, ... | Authors: | Minasov, G, Wawrzak, Z, Shuvalova, L, Dubrovska, I, Winsor, J, Grimshaw, S, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-09-17 | Release date: | 2012-09-26 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | 1.1 Angstrom Crystal Structure of Hypothetical Protein BA_2335 from Bacillus anthracis. TO BE PUBLISHED
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7CZ5
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![BU of 7cz5 by Molmil](/molmil-images/mine/7cz5) | Cryo-EM structure of the human growth hormone-releasing hormone receptor-Gs protein complex | Descriptor: | CHOLESTEROL, Growth hormone-releasing hormone receptor,growth hormone-releasing hormone receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Zhou, F, Zhang, H, Cong, Z, Zhao, L, Zhou, Q, Mao, C, Cheng, X, Shen, D, Cai, X, Ma, C, Wang, Y, Dai, A, Zhou, Y, Sun, W, Zhao, F, Zhao, S, Jiang, H, Jiang, Y, Yang, D, Xu, H.E, Zhang, Y, Wang, M. | Deposit date: | 2020-09-07 | Release date: | 2020-11-18 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Structural basis for activation of the growth hormone-releasing hormone receptor. Nat Commun, 11, 2020
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2RAC
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![BU of 2rac by Molmil](/molmil-images/mine/2rac) | AMICYANIN REDUCED, PH 7.7, 1.3 ANGSTROMS | Descriptor: | COPPER (I) ION, PROTEIN (AMICYANIN) | Authors: | Cunane, L.M, Chen, Z.-W, Durley, R.C.E, Mathews, F.S. | Deposit date: | 1998-10-02 | Release date: | 1998-10-07 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Molecular basis for interprotein complex-dependent effects on the redox properties of amicyanin. Biochemistry, 37, 1998
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2R6E
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![BU of 2r6e by Molmil](/molmil-images/mine/2r6e) | Crystal Form B2 | Descriptor: | Replicative helicase, SULFATE ION | Authors: | Bailey, S, Eliason, W.K, Steitz, T.A. | Deposit date: | 2007-09-05 | Release date: | 2007-11-06 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (5.019 Å) | Cite: | Structure of hexameric DnaB helicase and its complex with a domain of DnaG primase Science, 318, 2007
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2REO
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![BU of 2reo by Molmil](/molmil-images/mine/2reo) | Crystal structure of human sulfotransferase 1C3 (Sult1C3) in complex with PAP | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, Putative sulfotransferase 1C3 | Authors: | Tempel, W, Pan, P, Dong, A, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | Deposit date: | 2007-09-26 | Release date: | 2007-10-09 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.651 Å) | Cite: | Crystal structure of human sulfotransferase 1C3 (Sult1C3) in complex with PAP. To be Published
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2REY
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![BU of 2rey by Molmil](/molmil-images/mine/2rey) | Crystal structure of the PDZ domain of human dishevelled 2 (homologous to Drosophila dsh) | Descriptor: | Segment polarity protein dishevelled homolog DVL-2 | Authors: | Papagrigoriou, E, Gileadi, C, Elkins, J, Cooper, C, Ugochukwu, E, Turnbull, A, Pike, A.C.W, Gileadi, O, von Delft, F, Sundstrom, M, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Doyle, D, Structural Genomics Consortium (SGC) | Deposit date: | 2007-09-27 | Release date: | 2007-10-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystal structure of the PDZ domains of human dishevelled 2 (homologous to Drosophila dsh). To be Published
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2R53
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4UNY
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![BU of 4uny by Molmil](/molmil-images/mine/4uny) | Structure of the A_Equine_Newmarket_2_93 H3 haemagglutinin in complex with 6SO4-3SLN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, H3 HAEMAGGLUTININ HA2 CHAIN, ... | Authors: | Vachieri, S.G, Collins, P.J, Haire, L.F, Ogrodowicz, R.W, Martin, S.R, Walker, P.A, Xiong, X, Gamblin, S.J, Skehel, J.J. | Deposit date: | 2014-05-31 | Release date: | 2014-07-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Recent Evolution of Equine Influenza and the Origin of Canine Influenza. Proc.Natl.Acad.Sci.USA, 111, 2014
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2R5G
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![BU of 2r5g by Molmil](/molmil-images/mine/2r5g) | Structure of human CLIC2, crystal form B | Descriptor: | Chloride intracellular channel protein 2 | Authors: | Gorman, M.A, Hansen, G, Cromer, B.A, Parker, M.W. | Deposit date: | 2007-09-03 | Release date: | 2007-11-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Structure of the Janus Protein Human CLIC2 J.Mol.Biol., 374, 2007
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4UO5
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![BU of 4uo5 by Molmil](/molmil-images/mine/4uo5) | Structure of the A_Canine_Colorado_17864_06 H3 haemagglutinin in complex with 3SLN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Vachieri, S.G, Collins, P.J, Haire, L.F, Ogrodowicz, R.W, Martin, S.R, Walker, P.A, Xiong, X, Gamblin, S.J, Skehel, J.J. | Deposit date: | 2014-05-31 | Release date: | 2014-07-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Recent Evolution of Equine Influenza and the Origin of Canine Influenza. Proc.Natl.Acad.Sci.USA, 111, 2014
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2R4Z
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![BU of 2r4z by Molmil](/molmil-images/mine/2r4z) | Ligand Migration and Binding in The Dimeric Hemoglobin of Scapharca Inaequivalvis: Structure of I25W with CO | Descriptor: | CARBON MONOXIDE, Globin-1, PHOSPHATE ION, ... | Authors: | Knapp, J.E, Royer Jr, W.E, Nienhaus, K, Palladino, P, Nienhaus, G.U. | Deposit date: | 2007-09-02 | Release date: | 2007-11-27 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Ligand Migration and Binding in the Dimeric Hemoglobin of Scapharca inaequivalvis Biochemistry, 46, 2007
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2R6N
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![BU of 2r6n by Molmil](/molmil-images/mine/2r6n) | Crystal structure of a pyrrolopyrimidine inhibitor in complex with human Cathepsin K | Descriptor: | 1-{7-cyclohexyl-6-[4-(4-methylpiperazin-1-yl)benzyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl}methanamine, Cathepsin K | Authors: | Cowan-Jacob, S.W, Ramage, P, Mathis, B, Geisse, S. | Deposit date: | 2007-09-06 | Release date: | 2007-11-06 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Novel scaffold for cathepsin K inhibitors. Bioorg.Med.Chem.Lett., 17, 2007
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2R9U
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4UO1
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![BU of 4uo1 by Molmil](/molmil-images/mine/4uo1) | Structure of the A_Equine_Richmond_07 H3 haemagglutinin in complex with 3SLN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Vachieri, S.G, Collins, P.J, Haire, L.F, Ogrodowicz, R.W, Martin, S.R, Walker, P.A, Xiong, X, Gamblin, S.J, Skehel, J.J. | Deposit date: | 2014-05-31 | Release date: | 2014-07-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Recent Evolution of Equine Influenza and the Origin of Canine Influenza. Proc.Natl.Acad.Sci.USA, 111, 2014
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