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3NTQ
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Crystal structure of K97V mutant myo-inositol dehydrogenase from Bacillus subtilis with bound cofactor NAD
Descriptor: Inositol 2-dehydrogenase/D-chiro-inositol 3-dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Van Straaten, K.E, Palmer, D.R.J, Sanders, D.A.R.
Deposit date:2010-07-05
Release date:2010-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6004 Å)
Cite:Structural investigation of myo-inositol dehydrogenase from Bacillus subtilis: implications for catalytic mechanism and inositol dehydrogenase subfamily classification.
Biochem.J., 432, 2010
3O7O
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BU of 3o7o by Molmil
Use of synthetic symmetrization in the crystallization and structure determination of CelA from Thermotoga maritima
Descriptor: BROMIDE ION, Endoglucanase
Authors:Forse, G.J, Ram, N, Yeates, T.O.
Deposit date:2010-07-30
Release date:2010-12-01
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Synthetic symmetrization in the crystallization and structure determination of CelA from Thermotoga maritima.
Protein Sci., 20, 2011
3NUU
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phosphoinositide-dependent kinase-1 (PDK1) with fragment11
Descriptor: 3,4-dihydroisoquinolin-1(2H)-one, GLYCEROL, PkB-like, ...
Authors:Campobasso, N, Ward, P.
Deposit date:2010-07-07
Release date:2011-05-25
Last modified:2018-10-10
Method:X-RAY DIFFRACTION (1.9803 Å)
Cite:Aminoindazole PDK1 Inhibitors: A Case Study in Fragment-Based Drug Discovery.
ACS Med Chem Lett, 1, 2010
3NWO
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Crystal structure of Proline iminopeptidase Mycobacterium smegmatis
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, MAGNESIUM ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-07-09
Release date:2010-08-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3OA1
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Crystal structure of phosphoprotein/Protein P/Protein M1 residues 69-297 from Rabies virus reveals degradation to C-terminal domain only
Descriptor: Phosphoprotein, SULFATE ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-08-04
Release date:2010-08-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of phosphoprotein/Protein P/Protein M1 residues 69-297 from Rabies virus reveals degradation to C-terminal domain only
To be Published
3NXW
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Crystal structure of Staphylococcal nuclease variant Delta+PHS L125A at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Caro, J.A, Schlessman, J.L, Garcia-Moreno, E.B, Heroux, A.
Deposit date:2010-07-14
Release date:2011-07-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Cavities determine the pressure unfolding of proteins.
Proc.Natl.Acad.Sci.USA, 109, 2012
3OHB
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Yeast DNA polymerase eta extending from an 8-oxoG lesion
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 5'-D(*GP*TP*CP*CP*TP*CP*CP*CP*CP*TP*(DOC))-3', 5'-D(*TP*AP*AP*TP*GP*(8OG)P*AP*GP*GP*GP*GP*AP*GP*GP*AP*C)-3', ...
Authors:Silverstein, T.D, Jain, R, Aggarwal, A.K.
Deposit date:2010-08-17
Release date:2010-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for error-free replication of oxidatively damaged DNA by yeast DNA polymerase eta.
Structure, 18, 2010
3NPS
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BU of 3nps by Molmil
Crystal structure of membrane-type serine protease 1 (MT-SP1) in complex with the Fab Inhibitor S4
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, S4 FAB HEAVY CHAIN, ...
Authors:Baharuddin, A.
Deposit date:2010-06-29
Release date:2011-07-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A reverse binding motif that contributes to specific protease inhibition by antibodies.
J.Mol.Biol., 415, 2012
3NT7
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BU of 3nt7 by Molmil
Crystal Structure of Vaccinia Virus Uracil DNA Glycosylase R187V Mutant
Descriptor: GLYCEROL, SULFATE ION, Uracil-DNA glycosylase
Authors:Chattopadhyay, D.
Deposit date:2010-07-02
Release date:2011-05-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Vaccinia virus D4 mutants defective in processive DNA synthesis retain binding to A20 and DNA.
J.Virol., 84, 2010
3NTY
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Crystal structure of AKR1C1 in complex with NADP and 5-Phenyl,3-chlorosalicylic acid
Descriptor: 5-chloro-4-hydroxybiphenyl-3-carboxylic acid, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Dhagat, U, El-Kabbani, O.
Deposit date:2010-07-06
Release date:2011-04-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Probing the inhibitor selectivity pocket of human 20 alpha-hydroxysteroid dehydrogenase (AKR1C1) with X-ray crystallography and site-directed mutagenesis
Bioorg.Med.Chem.Lett., 21, 2011
3NVC
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BU of 3nvc by Molmil
Crystal Structure of Salicylate 1,2-dioxygenase G106A mutant from Pseudoaminobacter salicylatoxidans in complex with salicylate
Descriptor: 2-HYDROXYBENZOIC ACID, FE (II) ION, GLYCEROL, ...
Authors:Ferraroni, M, Briganti, F, Matera, I.
Deposit date:2010-07-08
Release date:2011-07-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The salicylate 1,2-dioxygenase as a model for a conventional gentisate 1,2-dioxygenase: crystal structures of the G106A mutant and its adducts with gentisate and salicylate.
FEBS J., 280, 2013
1ZCT
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structure of glycogenin truncated at residue 270 in a complex with UDP
Descriptor: Glycogenin-1, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE
Authors:Hurley, T.D, Stout, S.L, Miner, E, Zhou, J, Roach, P.J.
Deposit date:2005-04-13
Release date:2005-04-26
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Requirements for catalysis in mammalian glycogenin.
J.Biol.Chem., 280, 2005
3OC7
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BU of 3oc7 by Molmil
Crystal structure of an enoyl-CoA hydratase from Mycobacterium avium
Descriptor: 1,2-ETHANEDIOL, Enoyl-CoA hydratase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-08-09
Release date:2010-08-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3OCE
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BU of 3oce by Molmil
Crystal structure of fumarate lyase:delta crystallin from Brucella melitensis bound to cobalt
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, COBALT (II) ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-08-09
Release date:2010-08-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Crystal structure of fumarate lyase:delta crystallin from Brucella melitensis bound to cobalt
To be Published
3M11
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BU of 3m11 by Molmil
Crystal Structure of Aurora A Kinase complexed with inhibitor
Descriptor: 1-(4-{2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl}phenyl)-3-phenylurea, Serine/threonine-protein kinase 6
Authors:Wu, J.S, Leou, J.S, Coumar, M.S, Hsieh, H.P, Wu, S.Y.
Deposit date:2010-03-03
Release date:2011-03-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Fast-forwarding hit to lead: aurora and epidermal growth factor receptor kinase inhibitor lead identification
J.Med.Chem., 53, 2010
3MM1
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Dye-decolorizing peroxidase (DyP) D171N
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DyP, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sugano, Y, Yoshida, T, Tsuge, H.
Deposit date:2010-04-19
Release date:2011-04-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:The catalytic mechanism of dye-decolorizing peroxidase DyP may require the swinging movement of an aspartic acid residue
Febs J., 278, 2011
3MO8
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PWWP Domain of Human Bromodomain and PHD finger-containing protein 1 In Complex with Trimethylated H3K36 Peptide
Descriptor: Histone H3.2 TRIMETHYLATED H3K36 PEPTIDE, Peregrin
Authors:Lam, R, Zeng, H, Ni, S, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2010-04-22
Release date:2010-06-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structural and Histone Binding Ability Characterizations of Human PWWP Domains.
Plos One, 6, 2011
3M5R
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BU of 3m5r by Molmil
Crystal Structure of Swine Flu Virus NS1 Effector Domain from H1N1 Influenza A/California/07/2009
Descriptor: Nonstructural protein 1
Authors:Fremont, D.H, Yu, Y.Y.L, Nelson, C.A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-03-13
Release date:2010-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Swine Flu Virus NS1 Effector Domain from H1N1 Influenza A/California/07/2009
To be Published
2I6R
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BU of 2i6r by Molmil
Crystal structure of E. coli HypE, a hydrogenase maturation protein
Descriptor: HypE protein
Authors:Rangarajan, E.S, Proteau, A, Iannuzzi, P, Matte, A, Cygler, M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
Deposit date:2006-08-29
Release date:2007-10-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structure of [NiFe] hydrogenase maturation protein HypE from Escherichia coli and its interaction with HypF.
J.Bacteriol., 190, 2008
3M5M
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BU of 3m5m by Molmil
Avoiding drug resistance against HCV NS3/4A protease inhibitors
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FDEMEEC Peptide, NS3/4A, ...
Authors:Schiffer, C.A, Romano, K.P.
Deposit date:2010-03-12
Release date:2010-11-24
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Drug resistance against HCV NS3/4A inhibitors is defined by the balance of substrate recognition versus inhibitor binding.
Proc.Natl.Acad.Sci.USA, 107, 2010
3M8O
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BU of 3m8o by Molmil
Human IgA1 Fab fragment
Descriptor: CHLORIDE ION, GLYCEROL, IMMUNOGLOBULIN A1 HEAVY CHAIN, ...
Authors:Buschiazzo, A, Trajtenberg, F, Correa, A, Oppezzo, P, Pritsch, O, Dighiero, G.
Deposit date:2010-03-18
Release date:2011-03-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure of a human IgA1 Fab fragment at 1.55 angstrom resolution: potential effect of the constant domains on antigen-affinity modulation
Acta Crystallogr.,Sect.D, 69, 2013
3M96
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Crystal structure of human carbonic anhydrase isozyme II with 5-{[(5-bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide
Descriptor: 5-{[(5-bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Grazulis, S, Manakova, E, Golovenko, D.
Deposit date:2010-03-20
Release date:2011-02-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Indapamide-like benzenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, and XIII.
Bioorg.Med.Chem., 18, 2010
3MD0
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BU of 3md0 by Molmil
Crystal structure of arginine/ornithine transport system ATPase from Mycobacterium tuberculosis bound to GDP (a RAS-like GTPase superfamily protein)
Descriptor: Arginine/ornithine transport system ATPase, GUANOSINE-5'-DIPHOSPHATE, UNKNOWN ATOM OR ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-03-29
Release date:2010-04-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal structures of Mycobacterial MeaB and MMAA-like GTPases.
J.Struct.Funct.Genom., 16, 2015
1YCY
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Conserved hypothetical protein Pfu-1806301-001 from Pyrococcus furiosus
Descriptor: Conserved hypothetical protein
Authors:Huang, L, Liu, Z.-J, Lee, D, Tempel, W, Chang, J, Zhao, M, Habel, J, Xu, H, Chen, L, Nguyen, D, Chang, S.-H, Horanyi, P, Florence, Q, Zhou, W, Lin, D, Zhang, H, Praissman, J, Jenney Jr, F.E, Adams, M.W.W, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2004-12-23
Release date:2005-02-22
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Conserved hypothetical protein Pfu-1806301-001 from Pyrococcus furiosus
To be published
3ME6
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BU of 3me6 by Molmil
Crystal structure of cytochrome 2B4 in complex with the anti-platelet drug clopidogrel
Descriptor: Clopidogrel, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Gay, S.C, Roberts, A.G, Maekawa, K, Talakad, J.C, Hong, W.X, Zhang, Q, Stout, C.D, Halpert, J.R.
Deposit date:2010-03-31
Release date:2010-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structures of cytochrome P450 2B4 complexed with the antiplatelet drugs ticlopidine and clopidogrel.
Biochemistry, 49, 2010

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