4HMZ
 
 | | Crystal Structure of ChmJ, a 3'-monoepimerase from Streptomyces bikiniensis in complex with dTDP-quinovose | | Descriptor: | 1,2-ETHANEDIOL, Putative 3-epimerase in D-allose pathway, [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl dihydrogen diphosphate | | Authors: | Holden, H.M, Kubiak, R.L. | | Deposit date: | 2012-10-18 | | Release date: | 2012-11-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and Functional Studies on a 3'-Epimerase Involved in the Biosynthesis of dTDP-6-deoxy-d-allose.
Biochemistry, 51, 2012
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4HJ2
 | | Crystal Structure Analysis of GSTA1-1 in complex with chlorambucil | | Descriptor: | Glutathione S-transferase A1, L-gamma-glutamyl-S-(2-{[4-(3-carboxypropyl)phenyl](2-chloroethyl)amino}ethyl)-L-cysteinylglycine | | Authors: | Karpusas, M, Chiniadis, L, Labrou, N.E. | | Deposit date: | 2012-10-12 | | Release date: | 2013-03-27 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The interaction of the chemotherapeutic drug chlorambucil with human glutathione transferase A1-1: kinetic and structural analysis.
Plos One, 8, 2013
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5SW3
 | | Crystal Structure of TGT in complex with 3-Pyridinecarboxylic acid, 6-(dimethylamino) | | Descriptor: | 6-(dimethylamino)pyridine-3-carboxylic acid, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | Hassaan, E, Heine, A, Klebe, G. | | Deposit date: | 2016-08-08 | | Release date: | 2017-07-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Fragments as Novel Starting Points for tRNA-Guanine Transglycosylase Inhibitors Found by Alternative Screening Strategies.
Chemmedchem, 15, 2020
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1TO5
 | | Structure of the cytosolic Cu,Zn SOD from S. mansoni | | Descriptor: | ACETATE ION, COPPER (II) ION, Superoxide dismutase, ... | | Authors: | Cardoso, R.M.F, Silva, C.H.T.P, Ulian de Araujo, A.P, Tanaka, T, Tanaka, M, Garratt, R.C. | | Deposit date: | 2004-06-12 | | Release date: | 2004-08-31 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of the cytosolic Cu,Zn superoxide dismutase from Schistosoma mansoni.
Acta Crystallogr.,Sect.D, 60, 2004
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2ZXY
 | | Crystal Structure of Cytochrome c555 from Aquifex aeolicus | | Descriptor: | Cytochrome c552, HEME C | | Authors: | Obuchi, M, Kawahara, K, Motooka, D, Nakamura, S, Yamanaka, M, Takeda, T, Uchiyama, S, Kobayashi, Y, Ohkubo, T, Sambongi, Y. | | Deposit date: | 2009-01-09 | | Release date: | 2009-08-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Hyperstability and crystal structure of cytochrome c(555) from hyperthermophilic Aquifex aeolicus
Acta Crystallogr.,Sect.D, 65, 2009
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1KE5
 | | CDK2 complexed with N-methyl-4-{[(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}benzenesulfonamide | | Descriptor: | Cell division protein kinase 2, N-METHYL-4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE | | Authors: | Bramson, H.N, Corona, J, Davis, S.T, Dickerson, S.H, Edelstein, M, Frye, S.V, Gampe, R.T, Hassell, A.M, Shewchuk, L.M, Kuyper, L.F. | | Deposit date: | 2001-11-14 | | Release date: | 2002-05-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Oxindole-based inhibitors of cyclin-dependent kinase 2 (CDK2): design, synthesis, enzymatic activities, and X-ray crystallographic analysis.
J.Med.Chem., 44, 2001
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1A3Y
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4QAK
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2DDG
 | | Crystal structure of uracil-DNA glycosylase in complex with AP:G containing DNA | | Descriptor: | 5'-D(*AP*TP*GP*TP*TP*GP*CP*(D1P)P*TP*TP*AP*GP*TP*CP*C)-3', 5'-D(*GP*GP*AP*CP*TP*AP*AP*GP*GP*CP*AP*AP*CP*A)-3', ACETATE ION, ... | | Authors: | Kosaka, H, Nakagawa, N, Masui, R, Hoseki, J, Kuramitsu, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2006-01-28 | | Release date: | 2007-02-13 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of family 5 uracil-DNA glycosylase bound to DNA.
J.Mol.Biol., 373, 2007
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1AJ0
 | | CRYSTAL STRUCTURE OF A TERNARY COMPLEX OF E. COLI DIHYDROPTEROATE SYNTHASE | | Descriptor: | 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, DIHYDROPTEROATE SYNTHASE, SULFANILAMIDE, ... | | Authors: | Achari, A, Somers, D.O, Champness, J.N, Bryant, P.K, Rosemond, J, Stammers, D.K. | | Deposit date: | 1997-05-14 | | Release date: | 1998-05-20 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the anti-bacterial sulfonamide drug target dihydropteroate synthase.
Nat.Struct.Biol., 4, 1997
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1NO3
 | | REFINED STRUCTURE OF SOYBEAN LIPOXYGENASE-3 WITH 4-NITROCATECHOL AT 2.15 ANGSTROM RESOLUTION | | Descriptor: | 4-NITROCATECHOL, FE (III) ION, Lipoxygenase-3 | | Authors: | Skrzypczak-Jankun, E, Borbulevych, O.Y, Jankun, J. | | Deposit date: | 2003-01-15 | | Release date: | 2003-06-03 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Soybean lipoxygenase-3 in complex with 4-nitrocatechol.
Acta Crystallogr.,Sect.D, 60, 2004
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1NON
 | | PyrR, the regulator of the pyrimidine biosynthetic operon in Bacillus caldolyticus | | Descriptor: | PyrR bifunctional protein | | Authors: | Switzer, R.L, Chander, P, Smith, J.L, Halbig, K.M, Miller, J.K, Bonner, H.K, Grabner, G.K. | | Deposit date: | 2003-01-16 | | Release date: | 2004-05-25 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of the Nucleotide Complex of PyrR, the pyr Attenuation Protein from Bacillus caldolyticus, Suggests Dual Regulation by Pyrimidine and Purine Nucleotides
J.Bacteriol., 187, 2005
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3VGT
 | | Wild-type nucleoside diphosphate kinase derived from Halomonas sp. 593 | | Descriptor: | Nucleoside diphosphate kinase | | Authors: | Okazaki, N, Yonezawa, Y, Arai, S, Matsumoto, F, Tamada, T, Tokunaga, H, Ishibashi, M, Tokunaga, M, Kuroki, R. | | Deposit date: | 2011-08-21 | | Release date: | 2012-07-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | A structural mechanism for dimeric to tetrameric oligomer conversion in Halomonas sp. nucleoside diphosphate kinase
Protein Sci., 21, 2012
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1NZL
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5W4I
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3NYK
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1FN2
 | | 9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-4-CARBOXAMIDE BOUND TO D(CGTACG)2 | | Descriptor: | 9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-4-CARBOXAMIDE, COBALT (II) ION, DNA (5'-D(*CP*GP*TP*AP*CP*G)-3'), ... | | Authors: | Adams, A, Guss, J.M, Collyer, C.A, Denny, W.A, Wakelin, L.P.G. | | Deposit date: | 2000-08-19 | | Release date: | 2000-10-30 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A novel form of intercalation involving four DNA duplexes in an acridine-4-carboxamide complex of d(CGTACG)(2).
Nucleic Acids Res., 28, 2000
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8AHM
 | | Crystal structure of tubulin in complex with C(13)/C(13')-Bis-Desmethyl-Disorazole Z | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, DIMETHYL SULFOXIDE, ... | | Authors: | Oliva, M.A, Diaz, J.F, Altmann, K.H. | | Deposit date: | 2022-07-22 | | Release date: | 2022-11-16 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Synthesis and Biological Evaluation of C(13)/C(13')-Bis(desmethyl)disorazole Z.
Angew.Chem.Int.Ed.Engl., 62, 2023
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4XNI
 | | X-ray structure of PepTst1 | | Descriptor: | (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, Di-or tripeptide:H+ symporter, PHOSPHATE ION | | Authors: | Huang, C.Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M. | | Deposit date: | 2015-01-15 | | Release date: | 2015-06-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | In meso in situ serial X-ray crystallography of soluble and membrane proteins.
Acta Crystallogr.,Sect.D, 71, 2015
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8FOW
 | | Ternary complex of CDK2 with small molecule ligands TW8672 and Dinaciclib | | Descriptor: | 1,2-ETHANEDIOL, 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-nitrobenzoic acid, 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium, ... | | Authors: | Schonbrunn, E, Sun, L. | | Deposit date: | 2023-01-03 | | Release date: | 2023-05-31 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Development of allosteric and selective CDK2 inhibitors for contraception with negative cooperativity to cyclin binding.
Nat Commun, 14, 2023
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8FP0
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6EF4
 | | Crystal structure of mouse PP2A Aalpha P179R mutant | | Descriptor: | Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform | | Authors: | Wang, Z, Shen, G, Xu, W. | | Deposit date: | 2018-08-16 | | Release date: | 2019-06-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | The Highly Recurrent PP2A A alpha-Subunit Mutation P179R Alters Protein Structure and Impairs PP2A Enzyme Function to Promote Endometrial Tumorigenesis.
Cancer Res., 79, 2019
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4MVN
 | | Crystal structure of the staphylococcal serine protease SplA in complex with a specific phosphonate inhibitor | | Descriptor: | Serine protease splA, [(1S)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl]phosphonic acid | | Authors: | Zdzalik, M, Burchacka, E, Niemczyk, J.S, Pustelny, K, Popowicz, G.M, Wladyka, B, Dubin, A, Potempa, J, Sienczyk, M, Dubin, G, Oleksyszyn, J. | | Deposit date: | 2013-09-24 | | Release date: | 2014-01-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Development and binding characteristics of phosphonate inhibitors of SplA protease from Staphylococcus aureus.
Protein Sci., 23, 2014
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2DEM
 | | Crystal structure of Uracil-DNA glycosylase in complex with AP:A containing DNA | | Descriptor: | 5'-D(*AP*TP*GP*TP*TP*GP*CP*(D1P)P*TP*TP*AP*GP*TP*CP*C)-3', 5'-D(*GP*GP*AP*CP*TP*AP*AP*AP*GP*CP*AP*AP*CP*A)-3', DIHYDROGENPHOSPHATE ION, ... | | Authors: | Kosaka, H, Nakagawa, N, Masui, R, Hoseki, J, Kuramitsu, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2006-02-13 | | Release date: | 2007-04-24 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of family 5 uracil-DNA glycosylase bound to DNA.
J.Mol.Biol., 373, 2007
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3NTY
 | | 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
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