4JAZ
 
 | | Crystal structure of the complex between PPARgamma LBD and trans-resveratrol | | Descriptor: | Peroxisome proliferator-activated receptor gamma, RESVERATROL | | Authors: | Pochetti, G, Capelli, D, Montanari, R, Calleri, E, Moaddel, R, Temporini, C. | | Deposit date: | 2013-02-19 | | Release date: | 2014-02-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Resveratrol and Its Metabolites Bind to PPARs.
Chembiochem, 15, 2014
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2XDK
 | | Structure of HSP90 with small molecule inhibitor bound | | Descriptor: | 2-AMINO-4-PYRIDYL-PYRIMIDINE, HEAT SHOCK PROTEIN HSP 90-ALPHA | | Authors: | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | | Deposit date: | 2010-05-04 | | Release date: | 2010-09-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Fragment-Based Drug Discovery Applied to Hsp90. Discovery of Two Lead Series with High Ligand Efficiency.
J.Med.Chem., 53, 2010
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2QN9
 | | Glycogen Phosphorylase in complex with N-4-aminobenzoyl-N'-beta-D-glucopyranosyl urea | | Descriptor: | Glycogen phosphorylase, muscle form, INOSINIC ACID, ... | | Authors: | Chrysina, E.D, Tiraidis, C, Alexacou, K.-M, Zographos, S.E, Leonidas, D.D, Oikonomakos, N.G. | | Deposit date: | 2007-07-18 | | Release date: | 2008-07-22 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | N-(4-substituted-benzoyl)-N'-(beta-D-glucopyranosyl)ureas, inhibitors of glycogen phosphorylase: synthesis, kinetic and crystallographic evaluation
To be Published
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2CO3
 | | Salmonella enterica SafA pilin, head-to-tail swapped dimer of Ntd1 mutant | | Descriptor: | SAFA PILUS SUBUNIT | | Authors: | Remaut, H, Rose, R.J, Hannan, T.J, Hultgren, S.J, Radford, S.E, Ashcroft, A.E, Waksman, G. | | Deposit date: | 2006-05-25 | | Release date: | 2006-06-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Donor-Strand Exchange in Chaperone-Assisted Pilus Assembly Proceeds Through a Concerted Beta-Strand Displacement Mechanism
Mol.Cell, 22, 2006
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4TYS
 | | Crystal structure of Canavalia maritima lectin (ConM) complexed with a dinucleotide | | Descriptor: | Concanavalin-A, bis{[(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl]methyl} hydrogen phosphate | | Authors: | Vieira, D.B.H.A, Delatorre, P, Silva-Filho, J.C, Nobrega, R.B, Cavada, B.S, Rocha, B.A.M, Lima, E.M, Teixeira, C.S. | | Deposit date: | 2014-07-09 | | Release date: | 2015-07-22 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Crystal structure of Canavalia maritima lectin (ConM) complexed with a dinucleotide
To Be Published
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2R47
 | | Crystal structure of MTH_862 protein of unknown function from Methanothermobacter thermautotrophicus | | Descriptor: | SULFATE ION, Uncharacterized protein MTH_862 | | Authors: | Osipiuk, J, Evdokimova, E, Kudritska, M, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2007-08-30 | | Release date: | 2007-09-11 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Crystal structure of MTH_862 protein of unknown function from Methanothermobacter thermautotrophicus.
To be Published
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4B4A
 | | Structure of the TatC core of the twin arginine protein translocation system | | Descriptor: | Lauryl Maltose Neopentyl Glycol, SEC-INDEPENDENT PROTEIN TRANSLOCASE PROTEIN TATC | | Authors: | Rollauer, S.E, Tarry, M.J, Jaaskelainen, M, Graham, J.E, Jaeger, F, Krehenbrink, M, Roversi, P, McDowell, M.A, Stansfeld, P.J, Johnson, S, Liu, S.M, Lukey, M.J, Marcoux, J, Robinson, C.V, Sansom, M.S, Palmer, T, Hogbom, M, Berks, B.C, Lea, S.M. | | Deposit date: | 2012-07-30 | | Release date: | 2012-12-05 | | Last modified: | 2012-12-19 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structure of the Tatc Core of the Twin-Arginine Protein Transport System.
Nature, 49, 2012
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4BB4
 | | ephB4 kinase domain inhibitor complex | | Descriptor: | EPHRIN TYPE-B RECEPTOR 4, MAGNESIUM ION, N-(2-methoxyethyl)-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide | | Authors: | Read, J, Brassington, C.A, Green, I, McCall, E.J, Valentine, A.L. | | Deposit date: | 2012-09-19 | | Release date: | 2013-02-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Discovery and Optimization of a Novel Series of Potent Mutant B-Raf V600E Selective Kinase Inhibitors.
J.Med.Chem., 56, 2013
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3BN9
 | | Crystal Structure of MT-SP1 in complex with Fab Inhibitor E2 | | Descriptor: | 1,2-ETHANEDIOL, E2 Fab Heavy Chain, E2 Fab Light Chain, ... | | Authors: | Farady, C.J, Schneider, E.L, Egea, P.F, Goetz, D.H, Craik, C.S. | | Deposit date: | 2007-12-13 | | Release date: | 2008-09-09 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.173 Å) | | Cite: | Structure of an Fab-protease complex reveals a highly specific non-canonical mechanism of inhibition
J.Mol.Biol., 380, 2008
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4MW7
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(5-chloro-2-ethoxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea (Chem 1469) | | Descriptor: | 1-{3-[(5-chloro-2-ethoxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | | Deposit date: | 2013-09-24 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
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4ATI
 | | MITF:M-box complex | | Descriptor: | 5'-D(*AP*GP*GP*GP*TP*CP*AP*TP*GP*TP*GP*CP*TP*AP*AP*C)-3', 5'-D(*GP*TP*TP*AP*GP*CP*AP*CP*AP*TP*GP*AP*CP*CP*CP*T)-3', MICROPHTHALMIA-ASSOCIATED TRANSCRIPTION FACTOR | | Authors: | Pogenberg, V, Deineko, V, Wilmanns, M. | | Deposit date: | 2012-05-08 | | Release date: | 2012-12-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Restricted Leucine Zipper Dimerization and Specificity of DNA Recognition of the Melanocyte Master Regulator Mitf
Genes Dev., 26, 2012
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4AYT
 | | STRUCTURE OF THE HUMAN MITOCHONDRIAL ABC TRANSPORTER, ABCB10 | | Descriptor: | ATP-BINDING CASSETTE SUB-FAMILY B MEMBER 10 MITOCHONDRIAL, CARDIOLIPIN, DODECYL-BETA-D-MALTOSIDE, ... | | Authors: | Pike, A.C.W, Shintre, C.A, Li, Q, Kim, J, von Delft, F, Barr, A.J, Das, S, Chaikuad, A, Xia, X, Quigley, A, Dong, Y, Dong, L, Krojer, T, Vollmar, M, Muniz, J.R.C, Bray, J.E, Berridge, G, Chalk, R, Gileadi, O, Burgess-Brown, N, Shrestha, L, Goubin, S, Yang, J, Mahajan, P, Mukhopadhyay, S, Bullock, A.N, Arrowsmith, C.H, Weigelt, J, Bountra, C, Edwards, A.M, Carpenter, E.P. | | Deposit date: | 2012-06-22 | | Release date: | 2012-07-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structures of Abcb10, a Human ATP-Binding Cassette Transporter in Apo- and Nucleotide-Bound States
Proc.Natl.Acad.Sci.USA, 110, 2013
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3OIC
 | | Crystal Structure of Enoyl-ACP Reductases III (FabL) from B. subtilis (apo form) | | Descriptor: | Enoyl-[acyl-carrier-protein] reductase [NADPH], SULFATE ION | | Authors: | Kim, K.-H, Ha, B.H, Kim, S.J, Hong, S.K, Hwang, K.Y, Kim, E.E. | | Deposit date: | 2010-08-19 | | Release date: | 2011-01-05 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structures of Enoyl-ACP Reductases I (FabI) and III (FabL) from B. subtilis
J.Mol.Biol., 406, 2011
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3OK0
 | | E35A Mutant of Hen Egg White Lysozyme (HEWL) | | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | | Authors: | O'Meara, F, Bradley, J, O'Rourke, P.E, Webb, H, Tynan-Connolly, B.M, Nielsen, J.E. | | Deposit date: | 2010-08-24 | | Release date: | 2011-03-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | E35A Mutant of Hen Egg White Lysozyme (HEWL)
TO BE PUBLISHED
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2GTY
 | | Crystal structure of unliganded griffithsin | | Descriptor: | 1,2-ETHANEDIOL, Griffithsin, SULFATE ION | | Authors: | Ziolkowska, N.E, Wlodawer, A. | | Deposit date: | 2006-04-28 | | Release date: | 2006-08-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Domain-swapped structure of the potent antiviral protein griffithsin and its mode of carbohydrate binding.
Structure, 14, 2006
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3OJP
 | | D52N Mutant of Hen Egg White Lysozyme (HEWL) | | Descriptor: | ACETATE ION, CHLORIDE ION, Lysozyme C, ... | | Authors: | O'Meara, F, Bradley, J, O'Rourke, P.E, Webb, H, Tynan-Connolly, B.M, Nielsen, J.E. | | Deposit date: | 2010-08-23 | | Release date: | 2011-03-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | D52N Mutant of Hen Egg White Lysozyme (HEWL)
TO BE PUBLISHED
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4AU3
 | | Crystal Structure of a Hsp47-collagen complex | | Descriptor: | 18ER COLLAGEN MODEL PEPTIDE 15-R8, SERPIN PEPTIDASE INHIBITOR, CLADE H (HEAT SHOCK PROTEIN 47 ), ... | | Authors: | Widmer, C, Gebauer, J.M, Brunstein, E, Rodenbaum, S, Zaucke, F, Drogemuller, C, Leeb, T, Baumann, U. | | Deposit date: | 2012-05-14 | | Release date: | 2012-08-15 | | Last modified: | 2012-08-29 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Molecular Basis for the Action of the Collagen-Specific Chaperone Hsp47/Serpinh1 and its Structure-Specific Client Recognition.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4MW0
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(2-hydroxyphenyl)urea (Chem 1392) | | Descriptor: | 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(2-hydroxyphenyl)urea, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | | Deposit date: | 2013-09-24 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.201 Å) | | Cite: | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
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3OJT
 | | Structure of native Fe-containing Homoprotocatechuate 2,3-Dioxygenase at 1.70 Ang resolution | | Descriptor: | CALCIUM ION, CHLORIDE ION, FE (II) ION, ... | | Authors: | Fielding, A.J, Kovaleva, E.G, Farquhar, E.R, Lipscomb, J.D, Que Jr, L. | | Deposit date: | 2010-08-23 | | Release date: | 2010-12-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A hyperactive cobalt-substituted extradiol-cleaving catechol dioxygenase.
J.Biol.Inorg.Chem., 16, 2011
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1J1Q
 | | Structure of Pokeweed Antiviral Protein from Seeds (PAP-S1) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Antiviral protein S | | Authors: | Watanabe, K, Sato, E, Honjo, E, Motoshima, H, Kurokawa, H, Mikami, B, Monzingo, A.F, Robertus, J.D, Fujii, H, Hidaka, A. | | Deposit date: | 2002-12-14 | | Release date: | 2004-02-03 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of Pokweed Antiviral Protein from Seeds (PAP-S1) at 1.8 Angstrom Resolution
To be published
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3PE2
 | | Crystal structure of human protein kinase CK2 in complex with the inhibitor CX-5011 | | Descriptor: | 5-[(3-ethynylphenyl)amino]pyrimido[4,5-c]quinoline-8-carboxylic acid, Casein kinase II subunit alpha, SULFATE ION | | Authors: | Battistutta, R, Papinutto, E, Lolli, G, Pierre, F, Haddach, M, Ryckman, D.M. | | Deposit date: | 2010-10-25 | | Release date: | 2011-09-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Unprecedented selectivity and structural determinants of a new class of protein kinase CK2 inhibitors in clinical trials for the treatment of cancer.
Biochemistry, 50, 2011
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4HFW
 | | Anti Rotavirus Antibody | | Descriptor: | 6-26 Fab Heavy chain, 6-26 Fab Light chain, SULFATE ION | | Authors: | Spiller, B.W, Aiyegbo, M, Crowe, J.E. | | Deposit date: | 2012-10-05 | | Release date: | 2013-05-29 | | Method: | X-RAY DIFFRACTION (2.601 Å) | | Cite: | Human Rotavirus VP6-Specific Antibodies Mediate Intracellular Neutralization by Binding to a Quaternary Structure in the Transcriptional Pore.
Plos One, 8, 2013
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1UVM
 | | The structural basis for RNA specificity and Ca2 inhibition of an RNA-dependent RNA polymerase phi6p2 with 5NT RNA conformation A | | Descriptor: | 5'-R(*UP*UP*UP*CP*CP)-3', MANGANESE (II) ION, RNA-directed RNA polymerase | | Authors: | Salgado, P.S, Makeyev, E.V, Butcher, S, Bamford, D, Stuart, D.I, Grimes, J.M. | | Deposit date: | 2004-01-21 | | Release date: | 2004-02-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The structural basis for RNA specificity and Ca2+ inhibition of an RNA-dependent RNA polymerase.
Structure, 12, 2004
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4CV3
 | | Crystal structure of E. coli FabI in complex with NADH and PT166 | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-hexyl-1-methyl-5-(2-methylphenoxy)pyridin-4(1H)-one, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH] | | Authors: | Eltschkner, S, Schiebel, J, Chang, A, Shah, S, Tonge, P.J, Kisker, C. | | Deposit date: | 2014-03-22 | | Release date: | 2014-04-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Rational Design of Broad Spectrum Antibacterial Activity Based on a Clinically Relevant Enoyl-Acyl Carrier Protein (Acp) Reductase Inhibitor.
J.Biol.Chem., 289, 2014
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1CF4
 | | CDC42/ACK GTPASE-BINDING DOMAIN COMPLEX | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, PROTEIN (ACTIVATED P21CDC42HS KINASE), ... | | Authors: | Mott, H.R, Owen, D, Nietlispach, D, Lowe, P.N, Lim, L, Laue, E.D. | | Deposit date: | 1999-03-23 | | Release date: | 1999-06-18 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Structure of the small G protein Cdc42 bound to the GTPase-binding domain of ACK.
Nature, 399, 1999
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