3R5U
 
 | | The structure of manganese bound Thermococcus thioreducens Inorganic pyrophosphatase | | Descriptor: | MANGANESE (II) ION, Tt-IPPase | | Authors: | Hughes, R.C, Coates, L, Meehan, E.J, Garcia-Ruiz, J.M, Ng, J.D. | | Deposit date: | 2011-03-19 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | The structure of manganese bound Thermococcus thioreducens Inorganic pyrophosphatase
To be Published
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1SDT
 | | Crystal structures of HIV protease V82A and L90M mutants reveal changes in indinavir binding site. | | Descriptor: | CHLORIDE ION, N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE, protease RETROPEPSIN | | Authors: | Mahalingam, B, Wang, Y.-F, Boross, P.I, Tozser, J, Louis, J.M, Harrison, R.W, Weber, I.T. | | Deposit date: | 2004-02-14 | | Release date: | 2004-05-25 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal structures of HIV protease V82A and L90M
mutants reveal changes in the indinavir-binding site
Eur.J.Biochem., 271, 2004
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3EVN
 | | CRYSTAL STRUCTURE OF putative oxidoreductase from Streptococcus agalactiae 2603V/r | | Descriptor: | Oxidoreductase, Gfo/Idh/MocA family | | Authors: | Malashkevich, V.N, Toro, R, Meyer, A.J, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2008-10-13 | | Release date: | 2008-10-21 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | CRYSTAL STRUCTURE OF putative Gfo/Idh/MocA family oxidoreductase from Streptococcus agalactiae
2603V/r
To be Published
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2HKJ
 | | Topoisomerase VI-B bound to radicicol | | Descriptor: | DIMETHYL SULFOXIDE, MAGNESIUM ION, RADICICOL, ... | | Authors: | Corbett, K.D, Berger, J.M. | | Deposit date: | 2006-07-04 | | Release date: | 2006-08-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for topoisomerase VI inhibition
by the anti-Hsp90 drug radicicol
Nucleic Acids Res., 34, 2006
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3DXS
 | | Crystal structure of a copper binding domain from HMA7, a P-type ATPase | | Descriptor: | Copper-transporting ATPase RAN1, LITHIUM ION, ZINC ION | | Authors: | Zimmermann, M, Xiao, Z, Clarke, O.B, Gulbis, J.M, Wedd, A.G. | | Deposit date: | 2008-07-25 | | Release date: | 2009-08-11 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Metal binding affinities of Arabidopsis zinc and copper transporters: selectivities match the relative, but not the absolute, affinities of their amino-terminal domains.
Biochemistry, 48, 2009
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2HP4
 | | Computational design and crystal structure of an enhanced affinity mutant human CD8-alpha-alpha co-receptor | | Descriptor: | GLYCEROL, SULFATE ION, T-cell surface glycoprotein CD8 alpha chain | | Authors: | Rizkallah, P.J, Cole, D.K, Jakobsen, B.K, Boulter, J.M, Glick, M, Gao, G.F. | | Deposit date: | 2006-07-17 | | Release date: | 2007-02-06 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Computational design and crystal structure of an enhanced affinity mutant human CD8 alphaalpha coreceptor
Proteins, 67, 2007
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3RCF
 | | Human cyclophilin D complexed with N-[(4-aminophenyl)sulfonyl]benzamide | | Descriptor: | N-[(4-aminophenyl)sulfonyl]benzamide, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | | Authors: | Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F. | | Deposit date: | 2011-03-31 | | Release date: | 2012-03-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
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1SJ2
 | | Crystal structure of Mycobacterium tuberculosis catalase-peroxidase | | Descriptor: | GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase/catalase T | | Authors: | Bertrand, T, Eady, N.A.J, Jones, J.N, Bodiguel, J, Jesmin, Nagy, J.M, Raven, E.L, Jamart-Gregoire, B, Brown, K.A. | | Deposit date: | 2004-03-02 | | Release date: | 2004-07-20 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Crystal Structure of Mycobacterium tuberculosis Catalase-Peroxidase.
J.Biol.Chem., 279, 2004
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3F2C
 | | DNA Polymerase PolC from Geobacillus kaustophilus complex with DNA, dGTP and Mn | | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*DAP*DTP*DAP*DAP*DCP*DGP*DGP*DTP*DTP*DGP*DCP*DCP*DCP*DGP*DTP*DCP*DTP*DCP*DAP*DCP*DTP*DG)-3', 5'-D(*DCP*DAP*DGP*DTP*DGP*DAP*DGP*DAP*DCP*DGP*DGP*DGP*DCP*DAP*DAP*DCP*DC)-3', ... | | Authors: | Davies, D.R, Evans, R.J, Bullard, J.M, Christensen, J, Green, L.S, Guiles, J.W, Ribble, W.K, Janjic, N, Jarvis, T.C. | | Deposit date: | 2008-10-29 | | Release date: | 2009-01-20 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of PolC reveals unique DNA binding and fidelity determinants.
Proc.Natl.Acad.Sci.USA, 105, 2008
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1SDU
 | | Crystal structures of HIV protease V82A and L90M mutants reveal changes in indinavir binding site. | | Descriptor: | ACETATE ION, N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE, SULFATE ION, ... | | Authors: | Mahalingam, B, Wang, Y.-F, Boross, P.I, Tozser, J, Louis, J.M, Harrison, R.W, Weber, I.T. | | Deposit date: | 2004-02-14 | | Release date: | 2004-05-25 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Crystal structures of HIV protease V82A and L90M
mutants reveal changes in the indinavir-binding site
Eur.J.Biochem., 271, 2004
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1SH3
 | | Crystal Structure of Norwalk Virus Polymerase (MgSO4 crystal form) | | Descriptor: | MAGNESIUM ION, RNA Polymerase | | Authors: | Ng, K.K, Pendas-Franco, N, Rojo, J, Boga, J.A, Machin, A, Alonso, J.M, Parra, F. | | Deposit date: | 2004-02-24 | | Release date: | 2004-03-09 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Crystal structure of norwalk virus polymerase reveals the carboxyl terminus in the active site cleft.
J.Biol.Chem., 279, 2004
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1LRL
 | | Crystal Structure of UDP-Galactose 4-Epimerase Mutant Y299C Complexed with UDP-Glucose | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, TRIETHYLENE GLYCOL, ... | | Authors: | Thoden, J.B, Henderson, J.M, Fridovich-Keil, J.L, Holden, H.M. | | Deposit date: | 2002-05-15 | | Release date: | 2002-07-26 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural analysis of the Y299C mutant of Escherichia coli UDP-galactose 4-epimerase. Teaching an old dog new tricks.
J.Biol.Chem., 277, 2002
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3DXR
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2HJ8
 | | Solution NMR structure of the C-terminal domain of the interferon alpha-inducible ISG15 protein from Homo sapiens. Northeast Structural Genomics target HR2873B | | Descriptor: | Interferon-induced 17 kDa protein | | Authors: | Aramini, J.M, Ho, C.K, Yin, C, Cunningham, K, Janjua, H, Ma, L.-C, Xiao, R, Acton, T.B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2006-06-30 | | Release date: | 2006-08-01 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution NMR structure of the C-terminal domain of the interferon alpha-inducible ISG15 protein from Homo sapiens. Northeast Structural Genomics target HR2873B.
To be Published
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4B88
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2HM2
 | | Solution structure of ASC2 | | Descriptor: | Pyrin-only protein 1 | | Authors: | Natarajan, A, Ghose, R, Hill, J.M. | | Deposit date: | 2006-07-11 | | Release date: | 2006-07-25 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Structure and dynamics of ASC2, a pyrin domain-only protein that regulates inflammatory signaling
J.Biol.Chem., 281, 2006
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4BKJ
 | | Crystal structure of the human DDR1 kinase domain in complex with imatinib | | Descriptor: | 1,2-ETHANEDIOL, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, EPITHELIAL DISCOIDIN DOMAIN-CONTAINING RECEPTOR 1 | | Authors: | Canning, P, Elkins, J.M, Goubin, S, Mahajan, P, Krojer, T, Vollmar, M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | | Deposit date: | 2013-04-25 | | Release date: | 2013-05-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Mechanisms Determining Inhibition of the Collagen Receptor Ddr1 by Selective and Multi-Targeted Type II Kinase Inhibitors
J.Mol.Biol., 426, 2014
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3F2D
 | | DNA Polymerase PolC from Geobacillus kaustophilus complex with DNA, dGTP, Mn and Zn | | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*DAP*DTP*DAP*DAP*DCP*DGP*DGP*DTP*DTP*DGP*DCP*DCP*DCP*DGP*DTP*DCP*DTP*DCP*DAP*DCP*DTP*DG)-3', 5'-D(*DCP*DAP*DGP*DTP*DGP*DAP*DGP*DAP*DCP*DGP*DGP*DGP*DCP*DAP*DAP*DCP*DC)-3', ... | | Authors: | Davies, D.R, Evans, R.J, Bullard, J.M, Christensen, J, Green, L.S, Guiles, J.W, Ribble, W.K, Janjic, N, Jarvis, T.C. | | Deposit date: | 2008-10-29 | | Release date: | 2009-01-20 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Structure of PolC reveals unique DNA binding and fidelity determinants.
Proc.Natl.Acad.Sci.USA, 105, 2008
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1L8Q
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2FQQ
 | | Crystal structure of human caspase-1 (Cys285->Ala, Cys362->Ala, Cys364->Ala, Cys397->Ala) in complex with 1-methyl-3-trifluoromethyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid (2-mercapto-ethyl)-amide | | Descriptor: | 1-METHYL-3-TRIFLUOROMETHYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXYLIC ACID (2-MERCAPTO-ETHYL)-AMIDE, Caspase-1 | | Authors: | Scheer, J.M, Wells, J.A, Romanowski, M.J. | | Deposit date: | 2006-01-18 | | Release date: | 2006-05-16 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | A common allosteric site and mechanism in caspases
Proc.Natl.Acad.Sci.USA, 103, 2006
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4AW1
 | | Human PDK1 Kinase Domain in Complex with Allosteric Compound PS210 Bound to the PIF-Pocket | | Descriptor: | 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ... | | Authors: | Schulze, J.O, Busschots, K, Lopez-Garcia, L.A, Lammi, C, Stroba, A, Zeuzem, S, Piiper, A, Alzari, P.M, Neimanis, S, Arencibia, J.M, Engel, M, Biondi, R.M. | | Deposit date: | 2012-05-30 | | Release date: | 2012-10-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Substrate-Selective Inhibition of Protein Kinase Pdk1 by Small Compounds that Bind to the Pif-Pocket Allosteric Docking Site.
Chem.Biol., 19, 2012
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1SFK
 | | Core (C) protein from West Nile Virus, subtype Kunjin | | Descriptor: | CALCIUM ION, CHLORIDE ION, Core protein, ... | | Authors: | Dokland, T, Walsh, M, Mackenzie, J.M, Khromykh, A.A, Ee, K.-H, Wang, S. | | Deposit date: | 2004-02-19 | | Release date: | 2004-08-09 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | West nile virus core protein; tetramer structure and ribbon formation
Structure, 12, 2004
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3F7R
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1SG0
 | | Crystal structure analysis of QR2 in complex with resveratrol | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NRH dehydrogenase [quinone] 2, RESVERATROL, ... | | Authors: | Buryanovskyy, L, Fu, Y, Boyd, M, Ma, Y, Tsieh, T.C, Wu, J.M, Zhang, Z. | | Deposit date: | 2004-02-22 | | Release date: | 2005-01-25 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of quinone reductase 2 in complex with resveratrol
Biochemistry, 43, 2004
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3FAY
 | | Crystal structure of the GAP-related domain of IQGAP1 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Ras GTPase-activating-like protein IQGAP1 | | Authors: | Kurella, V.B, Richard, J.M, Parke, C.L, Bellamy, H, Worthylake, D.K. | | Deposit date: | 2008-11-18 | | Release date: | 2009-03-24 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of the GTPase-activating protein-related domain from IQGAP1.
J.Biol.Chem., 284, 2009
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