6CJG
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![BU of 6cjg by Molmil](/molmil-images/mine/6cjg) | Human dihydroorotate dehydrogenase bound to napthyridine inhibitor 46 | Descriptor: | 2-([1,1'-biphenyl]-4-yl)-3-methyl-1,7-naphthyridine-4-carboxylic acid, 3-[decyl(dimethyl)ammonio]propane-1-sulfonate, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Petrunak, E.M, Stuckey, J.A. | Deposit date: | 2018-02-26 | Release date: | 2018-05-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.851 Å) | Cite: | Design, Synthesis, and Biological Evaluation of 4-Quinoline Carboxylic Acids as Inhibitors of Dihydroorotate Dehydrogenase. J. Med. Chem., 61, 2018
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6BW0
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![BU of 6bw0 by Molmil](/molmil-images/mine/6bw0) | Nipah virus W protein C-terminus in complex with Importin alpha 1 | Descriptor: | Importin subunit alpha-1, Protein W | Authors: | Smith, K.M, Tsimbalyuk, S, Edwards, M.R, Aragao, D, Cross, E.M, Basler, C.F, Forwood, J.K. | Deposit date: | 2017-12-14 | Release date: | 2018-07-04 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for importin alpha 3 specificity of W proteins in Hendra and Nipah viruses. Nat Commun, 9, 2018
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6BWB
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![BU of 6bwb by Molmil](/molmil-images/mine/6bwb) | Hendra virus W protein C-terminus in complex with Importin alpha 3 crystal form 3 | Descriptor: | Importin subunit alpha-3, Protein W | Authors: | Tsimbalyuk, S, Smith, K.M, Edwards, M.R, Aragao, D, Cross, E.M, Basler, C.F, Forwood, J.K. | Deposit date: | 2017-12-14 | Release date: | 2018-07-04 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for importin alpha 3 specificity of W proteins in Hendra and Nipah viruses. Nat Commun, 9, 2018
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6BWA
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![BU of 6bwa by Molmil](/molmil-images/mine/6bwa) | Hendra virus W protein C-terminus in complex with Importin alpha 3 crystal form 2 | Descriptor: | Importin subunit alpha-3, Protein W | Authors: | Tsimbalyuk, S, Smith, K.M, Edwards, M.R, Aragao, D, Cross, E.M, Basler, C.F, Forwood, J.K. | Deposit date: | 2017-12-14 | Release date: | 2018-07-04 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for importin alpha 3 specificity of W proteins in Hendra and Nipah viruses. Nat Commun, 9, 2018
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6CJF
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![BU of 6cjf by Molmil](/molmil-images/mine/6cjf) | Human dihydroorotate dehydrogenase bound to 4-quinoline carboxylic acid inhibitor 43 | Descriptor: | 2-[4-(2-chloro-6-methylpyridin-3-yl)phenyl]-6-fluoro-3-methylquinoline-4-carboxylic acid, 3-[decyl(dimethyl)ammonio]propane-1-sulfonate, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Petrunak, E.M, Stuckey, J.A. | Deposit date: | 2018-02-26 | Release date: | 2018-05-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Design, Synthesis, and Biological Evaluation of 4-Quinoline Carboxylic Acids as Inhibitors of Dihydroorotate Dehydrogenase. J. Med. Chem., 61, 2018
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3LOG
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![BU of 3log by Molmil](/molmil-images/mine/3log) | Crystal structure of MbtI from Mycobacterium tuberculosis | Descriptor: | CARBONATE ION, GLYCEROL, Isochorismate synthase/isochorismate-pyruvate lyase mbtI, ... | Authors: | Bulloch, E.M.M, Lott, J.S, Baker, E.N, Johnston, J.M. | Deposit date: | 2010-02-03 | Release date: | 2011-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Inhibition studies of Mycobacterium tuberculosis salicylate synthase (MbtI). Chemmedchem, 5, 2010
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3L08
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![BU of 3l08 by Molmil](/molmil-images/mine/3l08) | Structure of Pi3K gamma with a potent inhibitor: GSK2126458 | Descriptor: | 2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)pyridin-3-yl]benzenesulfonamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Elkins, P.A, Marrero, E.M. | Deposit date: | 2009-12-09 | Release date: | 2010-06-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of GSK2126458, a Highly Potent Inhibitor of PI3K and the Mammalian Target of Rapamycin. ACS Med Chem Lett, 1, 2010
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3LDV
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![BU of 3ldv by Molmil](/molmil-images/mine/3ldv) | 1.77 Angstrom resolution crystal structure of orotidine 5'-phosphate decarboxylase from Vibrio cholerae O1 biovar eltor str. N16961 | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Orotidine 5'-phosphate decarboxylase | Authors: | Halavaty, A.S, Shuvalova, L, Minasov, G, Dubrovska, I, Winsor, J, Glass, E.M, Peterson, S.N, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2010-01-13 | Release date: | 2010-01-26 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | 1.77 Angstrom resolution crystal structure of orotidine 5'-phosphate decarboxylase from Vibrio cholerae O1 biovar eltor str. N16961 To be Published
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2Z8Q
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![BU of 2z8q by Molmil](/molmil-images/mine/2z8q) | |
1IGV
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![BU of 1igv by Molmil](/molmil-images/mine/1igv) | BOVINE CALBINDIN D9K BINDING MN2+ | Descriptor: | MANGANESE (II) ION, VITAMIN D-DEPENDENT CALCIUM-BINDING PROTEIN, INTESTINAL | Authors: | Andersson, E.M. | Deposit date: | 2001-04-18 | Release date: | 2001-04-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural basis for the negative allostery between Ca(2+)- and Mg(2+)-binding in the intracellular Ca(2+)-receptor calbindin D9k. Protein Sci., 6, 1997
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1IG5
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![BU of 1ig5 by Molmil](/molmil-images/mine/1ig5) | BOVINE CALBINDIN D9K BINDING MG2+ | Descriptor: | MAGNESIUM ION, VITAMIN D-DEPENDENT CALCIUM-BINDING PROTEIN, INTESTINAL | Authors: | Andersson, E.M, Svensson, L.A. | Deposit date: | 2001-04-17 | Release date: | 2001-04-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural basis for the negative allostery between Ca(2+)- and Mg(2+)-binding in the intracellular Ca(2+)-receptor calbindin D9k. Protein Sci., 6, 1997
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1JXH
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![BU of 1jxh by Molmil](/molmil-images/mine/1jxh) | 4-Amino-5-hydroxymethyl-2-methylpyrimidine Phosphate Kinase from Salmonella typhimurium | Descriptor: | PHOSPHOMETHYLPYRIMIDINE KINASE, SULFATE ION | Authors: | Cheng, G, Bennett, E.M, Begley, T.P, Ealick, S.E. | Deposit date: | 2001-09-07 | Release date: | 2002-02-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of 4-amino-5-hydroxymethyl-2-methylpyrimidine phosphate kinase from Salmonella typhimurium at 2.3 A resolution. Structure, 10, 2002
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1JXI
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![BU of 1jxi by Molmil](/molmil-images/mine/1jxi) | 4-Amino-5-hydroxymethyl-2-methylpyrimidine Phosphate Kinase from Salmonella typhimurium complexed with 4-Amino-5-hydroxymethyl-2-methylpyrimidine | Descriptor: | 4-AMINO-5-HYDROXYMETHYL-2-METHYLPYRIMIDINE, PHOSPHOMETHYLPYRIMIDINE KINASE, SULFATE ION | Authors: | Cheng, G, Bennett, E.M, Begley, T.P, Ealick, S.E. | Deposit date: | 2001-09-07 | Release date: | 2002-02-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Crystal structure of 4-amino-5-hydroxymethyl-2-methylpyrimidine phosphate kinase from Salmonella typhimurium at 2.3 A resolution. Structure, 10, 2002
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1K05
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1KUV
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![BU of 1kuv by Molmil](/molmil-images/mine/1kuv) | X-ray Crystallographic Studies of Serotonin N-acetyltransferase Catalysis and Inhibition | Descriptor: | COA-S-ACETYL 5-BROMOTRYPTAMINE, MAGNESIUM ION, Serotonin N-acetyltransferase | Authors: | Wolf, E, De Angelis, J, Khalil, E.M, Cole, P.A, Burley, S.K. | Deposit date: | 2002-01-22 | Release date: | 2002-03-22 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-ray crystallographic studies of serotonin N-acetyltransferase catalysis and inhibition. J.Mol.Biol., 317, 2002
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1KUY
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![BU of 1kuy by Molmil](/molmil-images/mine/1kuy) | X-ray Crystallographic Studies of Serotonin N-acetyltransferase Catalysis and Inhibition | Descriptor: | COA-S-ACETYL TRYPTAMINE, Serotonin N-acetyltransferase | Authors: | Wolf, E, De Angelis, J, Khalil, E.M, Cole, P.A, Burley, S.K. | Deposit date: | 2002-01-22 | Release date: | 2002-03-22 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | X-ray crystallographic studies of serotonin N-acetyltransferase catalysis and inhibition. J.Mol.Biol., 317, 2002
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1KXL
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3BK0
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![BU of 3bk0 by Molmil](/molmil-images/mine/3bk0) | Crystal Structure of Human Orotidine 5'-monophosphate Decarboxylase Complexed with 5-CN-UMP | Descriptor: | 5-CYANO-URIDINE-5'-MONOPHOSPHATE, GLYCEROL, SULFATE ION, ... | Authors: | Liu, Y, Tang, H.L, Avina, M.E.M, Kotra, L.P, Pai, E.F. | Deposit date: | 2007-12-05 | Release date: | 2008-11-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal Structure of Human Orotidine 5'-monophosphate Decarboxylase Complexed with 5-CN-UMP To be Published
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3BMY
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![BU of 3bmy by Molmil](/molmil-images/mine/3bmy) | Discovery of Benzisoxazoles as Potent Inhibitors of Chaperone Hsp90 | Descriptor: | 4-chloro-6-{5-[(2-morpholin-4-ylethyl)amino]-1,2-benzisoxazol-3-yl}benzene-1,3-diol, Heat shock protein HSP 90-alpha | Authors: | Gopalsamy, A, Shi, M, Vogan, E.M, Golas, J, Jacob, J, Johnson, J, Lee, F, Nilakantan, R, Peterson, R, Svenson, K, Tam, M.S, Wen, Y, Chopra, R, Ellingboe, J, Arndt, K, Boschelli, F. | Deposit date: | 2007-12-13 | Release date: | 2008-07-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of benzisoxazoles as potent inhibitors of chaperone heat shock protein 90. J.Med.Chem., 51, 2008
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3AU0
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![BU of 3au0 by Molmil](/molmil-images/mine/3au0) | Structural and biochemical characterization of ClfB:ligand interactions | Descriptor: | Clumping factor B, MAGNESIUM ION | Authors: | Ganesh, V.K, Barbu, E.M, Deivanayagam, C.C.S, Le, B, Anderson, A.S, Matsuka, Y, Lin, S.L, Foster, T.F, Narayana, S.V.L, Hook, M. | Deposit date: | 2011-01-28 | Release date: | 2011-05-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural and biochemical characterization of ClfB:ligand interactions To be published
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1KUX
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![BU of 1kux by Molmil](/molmil-images/mine/1kux) | X-ray Crystallographic Studies of Serotonin N-acetyltransferase Catalysis and Inhibition | Descriptor: | COA-S-TRIMETHYLENE-ACETYL-TRYPTAMINE, Serotonin N-acetyltransferase | Authors: | Wolf, E, De Angelis, J, Khalil, E.M, Cole, P.A, Burley, S.K. | Deposit date: | 2002-01-22 | Release date: | 2002-03-22 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray crystallographic studies of serotonin N-acetyltransferase catalysis and inhibition. J.Mol.Biol., 317, 2002
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1L7X
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![BU of 1l7x by Molmil](/molmil-images/mine/1l7x) | Human liver glycogen phosphorylase b complexed with caffeine, N-acetyl-beta-D-glucopyranosylamine, and CP-403,700 | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, CAFFEINE, Glycogen phosphorylase, ... | Authors: | Ekstrom, J.L, Pauly, T.A, Carty, M.D, Soeller, W.C, Culp, J, Danley, D.E, Hoover, D.J, Treadway, J.L, Gibbs, E.M, Fletterick, R.J, Day, Y.S.N, Myszka, D.G, Rath, V.L. | Deposit date: | 2002-03-18 | Release date: | 2002-12-04 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-activity analysis of the purine binding
site of human liver glycogen phosphorylase. Chem.Biol., 9, 2002
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1L9H
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![BU of 1l9h by Molmil](/molmil-images/mine/1l9h) | Crystal structure of bovine rhodopsin at 2.6 angstroms RESOLUTION | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HEPTANE-1,2,3-TRIOL, MERCURY (II) ION, ... | Authors: | Okada, T, Fujiyoshi, Y, Silow, M, Navarro, J, Landau, E.M, Shichida, Y. | Deposit date: | 2002-03-23 | Release date: | 2002-05-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Functional role of internal water molecules in rhodopsin revealed by X-ray crystallography. Proc.Natl.Acad.Sci.USA, 99, 2002
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3BPB
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![BU of 3bpb by Molmil](/molmil-images/mine/3bpb) | Crystal structure of the dimethylarginine dimethylaminohydrolase H162G adduct with S-methyl-L-thiocitrulline | Descriptor: | N~5~-[(E)-imino(methylsulfanyl)methyl]-L-ornithine, dimethylarginine dimethylaminohydrolase | Authors: | Monzingo, A.F, Linsky, T.W, Stone, E.M, Fast, W, Robertus, J.D. | Deposit date: | 2007-12-18 | Release date: | 2008-06-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Promiscuous partitioning of a covalent intermediate common in the pentein superfamily. Chem.Biol., 15, 2008
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2Z5D
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![BU of 2z5d by Molmil](/molmil-images/mine/2z5d) | Human ubiquitin-conjugating enzyme E2 H | Descriptor: | SODIUM ION, Ubiquitin-conjugating enzyme E2 H | Authors: | Bochkarev, A, Cui, H, Walker, J.R, Newman, E.M, Mackenzie, F, Battaile, K.P, Sundstrom, M, Arrowsmith, C, Edwards, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2007-07-06 | Release date: | 2007-10-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen. MOL.CELL PROTEOMICS, 11, 2012
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