5W5O
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5W5J
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1ZLT
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![BU of 1zlt by Molmil](/molmil-images/mine/1zlt) | Crystal Structure of Chk1 Complexed with a Hymenaldisine Analog | Descriptor: | (4Z)-4-(2-AMINO-5-OXO-3,5-DIHYDRO-4H-IMIDAZOL-4-YLIDENE)-2,3-DICHLORO-4,5,6,7-TETRAHYDROPYRROLO[2,3-C]AZEPIN-8(1H)-ONE, SULFATE ION, Serine/threonine-protein kinase Chk1 | Authors: | Lee, C.C, Ng, K, Wan, Y, Gray, N, Spraggon, G. | Deposit date: | 2005-05-09 | Release date: | 2006-06-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Crystal Structure of Chk1 Complexed with a Hymenaldisine Analog To be Published
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1ZH0
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![BU of 1zh0 by Molmil](/molmil-images/mine/1zh0) | Crystal Structure of L-3-(2-napthyl)alanine-tRNA synthetase in complex with L-3-(2-napthyl)alanine | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-(2-NAPHTHYL)-ALANINE, Tyrosyl-tRNA synthetase | Authors: | Turner, J.M, Graziano, J, Spraggon, G, Schultz, P.G. | Deposit date: | 2005-04-22 | Release date: | 2006-04-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural plasticity of an aminoacyl-tRNA synthetase active site Proc.Natl.Acad.Sci.Usa, 103, 2006
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3FCA
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![BU of 3fca by Molmil](/molmil-images/mine/3fca) | Genetic Incorporation of a Metal-ion Chelating Amino Acid into proteins as biophysical probe | Descriptor: | Cysteine synthase, ZINC ION | Authors: | Wang, F, Lee, H, Spraggon, G, Schultz, P.G. | Deposit date: | 2008-11-21 | Release date: | 2009-02-17 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.149 Å) | Cite: | Genetic incorporation of a metal-ion chelating amino acid into proteins as a biophysical probe. J.Am.Chem.Soc., 131, 2009
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2QB5
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![BU of 2qb5 by Molmil](/molmil-images/mine/2qb5) | Crystal Structure of Human Inositol 1,3,4-Trisphosphate 5/6-Kinase (ITPK1) in Complex with ADP and Mn2+ | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Inositol-tetrakisphosphate 1-kinase, MANGANESE (II) ION, ... | Authors: | Chamberlain, P.P, Lesley, S.A, Spraggon, G. | Deposit date: | 2007-06-15 | Release date: | 2007-07-03 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Integration of inositol phosphate signaling pathways via human ITPK1. J.Biol.Chem., 282, 2007
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2V9K
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![BU of 2v9k by Molmil](/molmil-images/mine/2v9k) | Crystal structure of human PUS10, a novel pseudouridine synthase. | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, GLYCEROL, ... | Authors: | McCleverty, C.J, Hornsby, M, Spraggon, G, Kreusch, A. | Deposit date: | 2007-08-23 | Release date: | 2007-10-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of Human Pus10, a Novel Pseudouridine Synthase. J.Mol.Biol., 373, 2007
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3O0P
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![BU of 3o0p by Molmil](/molmil-images/mine/3o0p) | Pilus-related Sortase C of Group B Streptococcus | Descriptor: | Sortase family protein | Authors: | Malito, E, Spraggon, G. | Deposit date: | 2010-07-19 | Release date: | 2011-03-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure analysis and site-directed mutagenesis of defined key residues and motives for pilus-related sortase C1 in group B Streptococcus. Faseb J., 25, 2011
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2PIS
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![BU of 2pis by Molmil](/molmil-images/mine/2pis) | Efforts toward Expansion of the Genetic Alphabet: Structure and Replication of Unnatural Base Pairs | Descriptor: | DNA (5'-D(*CP*GP*(CBR)P*GP*AP*AP*(FFD)P*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION | Authors: | Matsuda, S, Fillo, J.D, Henry, A.A, Wilkins, S.J, Rai, P, Dwyer, T.J, Geierstanger, B.H, Wemmer, D.E, Schultz, P.G, Spraggon, G, Romesberg, F.E. | Deposit date: | 2007-04-13 | Release date: | 2007-10-30 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Efforts toward expansion of the genetic alphabet: structure and replication of unnatural base pairs. J.Am.Chem.Soc., 129, 2007
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1FZC
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![BU of 1fzc by Molmil](/molmil-images/mine/1fzc) | CRYSTAL STRUCTURE OF FRAGMENT DOUBLE-D FROM HUMAN FIBRIN WITH TWO DIFFERENT BOUND LIGANDS | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Everse, S.J, Spraggon, G, Veerapandian, L, Riley, M, Doolittle, R.F. | Deposit date: | 1998-05-19 | Release date: | 1998-10-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of fragment double-D from human fibrin with two different bound ligands. Biochemistry, 37, 1998
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2Q7D
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![BU of 2q7d by Molmil](/molmil-images/mine/2q7d) | Crystal Structure of Human Inositol 1,3,4-Trisphosphate 5/6-kinase (ITPK1) in complex with AMPPNP and Mn2+ | Descriptor: | Inositol-tetrakisphosphate 1-kinase, MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Chamberlain, P.P, Lesley, S.A, Spraggon, G. | Deposit date: | 2007-06-06 | Release date: | 2007-07-03 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Integration of inositol phosphate signaling pathways via human ITPK1. J.Biol.Chem., 282, 2007
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2QTW
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![BU of 2qtw by Molmil](/molmil-images/mine/2qtw) | The Crystal Structure of PCSK9 at 1.9 Angstroms Resolution Reveals structural homology to Resistin within the C-terminal domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Proprotein convertase subtilisin/kexin type 9, ... | Authors: | Hampton, E.N, Knuth, M.W, Li, J, Harris, J.L, Lesley, S.A, Spraggon, G. | Deposit date: | 2007-08-02 | Release date: | 2007-09-18 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The self-inhibited structure of full-length PCSK9 at 1.9 A reveals structural homology with resistin within the C-terminal domain. Proc.Natl.Acad.Sci.Usa, 104, 2007
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2VP8
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![BU of 2vp8 by Molmil](/molmil-images/mine/2vp8) | Structure of Mycobacterium tuberculosis Rv1207 | Descriptor: | 1,2-ETHANEDIOL, DIHYDROPTEROATE SYNTHASE 2 | Authors: | Gengenbacher, M, Xu, T, Niyomwattanakit, P, Spraggon, G, Dick, T. | Deposit date: | 2008-02-27 | Release date: | 2008-08-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Biochemical and Structural Characterization of the Putative Dihydropteroate Synthase Ortholog Rv1207 of Mycobacterium Tuberculosis. Fems Microbiol.Lett., 287, 2008
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3JXO
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![BU of 3jxo by Molmil](/molmil-images/mine/3jxo) | Crystal Structure of an Octomeric Two-Subunit TrkA K+ Channel Ring Gating Assembly, TM1088A:TM1088B, from Thermotoga maritima | Descriptor: | TrkA-N domain protein | Authors: | Deller, M.C, Johnson, H.A, Miller, M, Spraggon, G, Wilson, I.A, Lesley, S.A, Joint Center for Structural Genomics (JCSG) | Deposit date: | 2009-09-20 | Release date: | 2009-10-06 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystal Structure of an Octomeric Two-Subunit TrkA K+ Channel Ring Gating Assembly, TM1088A:TM1088B, from Thermotoga maritima To be Published
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2H7J
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![BU of 2h7j by Molmil](/molmil-images/mine/2h7j) | Crystal Structure of Cathepsin S in complex with a Nonpeptidic Inhibitor. | Descriptor: | 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, Cathepsin S, N-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT-3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}-1,2-DIMETHYLPROPYL]BENZAMIDE | Authors: | Patterson, A.W, Wood, W.J, Hornsby, M, Lesley, S, Spraggon, G, Ellman, J.A. | Deposit date: | 2006-06-02 | Release date: | 2006-10-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Identification of selective, nonpeptidic nitrile inhibitors of cathepsin s using the substrate activity screening method. J.Med.Chem., 49, 2006
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2HXZ
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![BU of 2hxz by Molmil](/molmil-images/mine/2hxz) | Crystal Structure of Cathepsin S in complex with a Nonpeptidic Inhibitor (Hexagonal spacegroup) | Descriptor: | Cathepsin S, N-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT-3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}-1,2-DIMETHYLPROPYL]BENZAMIDE, SULFATE ION | Authors: | Patterson, A.W, Wood, W.J, Hornsby, M, Lesley, S, Spraggon, G, Ellman, J.A. | Deposit date: | 2006-08-04 | Release date: | 2006-10-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Identification of selective, nonpeptidic nitrile inhibitors of cathepsin s using the substrate activity screening method. J.Med.Chem., 49, 2006
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4AE0
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4AE1
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1S96
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![BU of 1s96 by Molmil](/molmil-images/mine/1s96) | The 2.0 A X-ray structure of Guanylate Kinase from E.coli | Descriptor: | Guanylate kinase, PHOSPHATE ION, UNKNOWN ATOM OR ION | Authors: | Kreusch, A, Spraggon, G, Klock, H.E, McMullan, D, Vincent, J, Rodrigues, K, Lesley, S.A. | Deposit date: | 2004-02-03 | Release date: | 2004-02-10 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Structure of Guanylate Kinase from Escherichia coli at 2.0 A resolution To be Published
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3R5L
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![BU of 3r5l by Molmil](/molmil-images/mine/3r5l) | Structure of Ddn, the Deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Deazaflavin-dependent nitroreductase | Authors: | Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayyar, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H. | Deposit date: | 2011-03-18 | Release date: | 2012-01-18 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824. Structure, 20, 2012
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3R5R
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![BU of 3r5r by Molmil](/molmil-images/mine/3r5r) | Structure of Ddn, the Deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824, with co-factor F420 | Descriptor: | COENZYME F420, Deazaflavin-dependent nitroreductase | Authors: | Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayya, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H. | Deposit date: | 2011-03-19 | Release date: | 2012-01-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.101 Å) | Cite: | Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824. Structure, 20, 2012
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3R5P
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![BU of 3r5p by Molmil](/molmil-images/mine/3r5p) | Structure of Ddn, the Deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824 | Descriptor: | Deazaflavin-dependent nitroreductase, SULFATE ION | Authors: | Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayya, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H. | Deposit date: | 2011-03-19 | Release date: | 2012-01-18 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824. Structure, 20, 2012
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3R5Y
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![BU of 3r5y by Molmil](/molmil-images/mine/3r5y) | Structure of a Deazaflavin-dependent nitroreductase from Nocardia farcinica, with co-factor F420 | Descriptor: | COENZYME F420, Putative uncharacterized protein | Authors: | Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayya, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H. | Deposit date: | 2011-03-20 | Release date: | 2012-01-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824. Structure, 20, 2012
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3QE4
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![BU of 3qe4 by Molmil](/molmil-images/mine/3qe4) | An evolved aminoacyl-tRNA Synthetase with atypical polysubstrate specificity | Descriptor: | 4-cyano-L-phenylalanine, Tyrosyl-tRNA synthetase | Authors: | Young, D.D, Young, T.S, Jahnz, M, Ahmad, I, Spraggon, G, Schultz, P.G. | Deposit date: | 2011-01-19 | Release date: | 2011-02-16 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | An Evolved Aminoacyl-tRNA Synthetase with Atypical Polysubstrate Specificity . Biochemistry, 50, 2011
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3R5W
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![BU of 3r5w by Molmil](/molmil-images/mine/3r5w) | Structure of Ddn, the Deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824, with co-factor F420 | Descriptor: | COENZYME F420, Deazaflavin-dependent nitroreductase | Authors: | Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayya, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H. | Deposit date: | 2011-03-20 | Release date: | 2012-01-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.786 Å) | Cite: | Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824. Structure, 20, 2012
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