6BHD
 
 | | Crystal structure of SETDB1 with a modified H3 peptide | | Descriptor: | Histone H3.1, Histone-lysine N-methyltransferase SETDB1, SODIUM ION, ... | | Authors: | Qin, S, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-10-30 | | Release date: | 2017-12-06 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | H3K14ac is linked to methylation of H3K9 by the triple Tudor domain of SETDB1.
Nat Commun, 8, 2017
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5Z5K
 | | Structure of the DCC-Draxin complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Draxin, ... | | Authors: | Liu, Y, Xiao, J, Wang, J. | | Deposit date: | 2018-01-18 | | Release date: | 2018-06-20 | | Last modified: | 2021-03-10 | | Method: | X-RAY DIFFRACTION (2.493 Å) | | Cite: | Structural Basis for Draxin-Modulated Axon Guidance and Fasciculation by Netrin-1 through DCC.
Neuron, 97, 2018
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6BIO
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1V11
 | | CROSSTALK BETWEEN COFACTOR BINDING AND THE PHOSPHORYLATION LOOP CONFORMATION IN THE BCKD MACHINE | | Descriptor: | 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, BENZAMIDINE, ... | | Authors: | Li, J, Wynn, R.M, Machius, M, Chuang, J.L, Karthikeyan, S, Tomchick, D.R, Chuang, D.T. | | Deposit date: | 2004-04-05 | | Release date: | 2004-06-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Cross-Talk between Thiamin Diphosphate Binding and Phosphorylation Loop Conformation in Human Branched-Chain {Alpha}-Keto Acid Decarboxylase/Dehydrogenase
J.Biol.Chem., 279, 2004
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2POY
 | | Cryptosporidium parvum cyclophilin type peptidyl-prolyl cis-trans isomerase cgd2_4120 in complex with cyclosporin A | | Descriptor: | CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE | | Authors: | Wernimont, A.K, Lew, J, Hills, T, Kozieradzki, I, Lin, Y.H, Hassanali, A, Zhao, Y, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Artz, J.D, Xiao, T, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-04-27 | | Release date: | 2007-05-08 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Cryptosporidium Parvum Cyclophilin Type Peptidyl-Prolyl Cis-Trans Isomerase Cgd2_4120 in Complex with Cyclosporin A.
To be Published
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2PPI
 | | Structure of the BTB (Tramtrack and Bric a brac) domain of human Gigaxonin | | Descriptor: | Gigaxonin | | Authors: | Amos, A, Turnbull, A.P, Tickle, J, Keates, T, Bullock, A, Savitsky, P, Burgess-Brown, N, Debreczeni, J.E, Ugochukwu, E, Umeano, C, Pike, A.C.W, Papagrigoriou, E, Sundstrom, M, Arrowsmith, C.H, Weigelt, J, Edwards, A, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-04-30 | | Release date: | 2007-05-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of the BTB (Tramtrack and Bric a brac) domain of human Gigaxonin.
To be Published
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6C1W
 | | A tethered niacin-derived pincer complex with a nickel-carbon or sulfite-carbon bond in lactate racemase | | Descriptor: | (4S)-5-methanethioyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-4-sulfo-1,4-dihydropyridine-3-carbothioic S-acid, 3-methanethioyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-5-(sulfanylcarbonyl)pyridin-1-ium, Lactate racemase, ... | | Authors: | Fellner, M, Desguin, B, Hausinger, R.P, Hu, J. | | Deposit date: | 2018-01-05 | | Release date: | 2018-03-14 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.398 Å) | | Cite: | Lactate Racemase Nickel-Pincer Cofactor Operates by a Proton-Coupled Hydride Transfer Mechanism.
Biochemistry, 57, 2018
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3DN7
 | | Cyclic nucleotide binding regulatory protein from Cytophaga hutchinsonii. | | Descriptor: | 1,2-ETHANEDIOL, Cyclic nucleotide binding regulatory protein, GLYCEROL | | Authors: | Osipiuk, J, Maltseva, N, Abdullah, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2008-07-01 | | Release date: | 2008-08-26 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | X-ray crystal structure of cyclic nucleotide binding regulatory protein from Cytophaga hutchinsonii.
To be Published
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1H21
 | | A novel iron centre in the split-Soret cytochrome c from Desulfovibrio desulfuricans ATCC 27774 | | Descriptor: | HEME C, SPLIT-SORET CYTOCHROME C | | Authors: | Abreu, I.A, Lourenco, A.I, Xavier, A.V, Legall, J, Coelho, A.V, Matias, P.M, Pinto, D.M, Carrondo, M.A, Teixeira, M, Saraiva, L.M. | | Deposit date: | 2002-07-30 | | Release date: | 2003-02-20 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A Novel Iron Centre in the Split-Soret Cytochrome C from Desulfovibrio Desulfuricans Atcc 27774
J.Biol.Inorg.Chem., 8, 2003
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3SO8
 | | Crystal Structure of ANKRA | | Descriptor: | Ankyrin repeat family A protein 2 | | Authors: | Xu, C, Bochkarev, A, Bian, C.B, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-06-30 | | Release date: | 2011-10-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Sequence-Specific Recognition of a PxLPxI/L Motif by an Ankyrin Repeat Tumbler Lock.
Sci.Signal., 5, 2012
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7P6M
 | | Hydrogenated refolded hen egg-white lysozyme | | Descriptor: | ACETATE ION, Lysozyme C, NITRATE ION | | Authors: | Ramos, J, Laux, V, Haertlein, M, Forsyth, V.T, Mossou, E, Larsen, S, Langkilde, A.E. | | Deposit date: | 2021-07-16 | | Release date: | 2021-12-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (0.89 Å) | | Cite: | The impact of folding modes and deuteration on the atomic resolution structure of hen egg-white lysozyme.
Acta Crystallogr D Struct Biol, 77, 2021
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7P0R
 | | Crystal structure of L-Trp/Indoleamine 2,3-dioxygenase (hIDO1) complex with the JK-loop refined in the intermediate conformation | | Descriptor: | GLYCEROL, Indoleamine 2,3-dioxygenase 1, N'-Formylkynurenine, ... | | Authors: | Mirgaux, M, Wouters, J. | | Deposit date: | 2021-06-30 | | Release date: | 2021-12-29 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Temporary Intermediates of L-Trp Along the Reaction Pathway of Human Indoleamine 2,3-Dioxygenase 1 and Identification of an Exo Site.
Int J Tryptophan Res, 14, 2021
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6BHH
 | | Crystal structure of SETDB1 with a modified H3 peptide | | Descriptor: | Histone H3.1, Histone-lysine N-methyltransferase SETDB1, SULFATE ION, ... | | Authors: | Qin, S, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-10-30 | | Release date: | 2017-11-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | H3K14ac is linked to methylation of H3K9 by the triple Tudor domain of SETDB1.
Nat Commun, 8, 2017
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3SDA
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1GNT
 | | Hybrid Cluster Protein from Desulfovibrio vulgaris. X-ray structure at 1.25A resolution using synchrotron radiation. | | Descriptor: | HYBRID CLUSTER PROTEIN, IRON/SULFUR CLUSTER, IRON/SULFUR/OXYGEN HYBRID CLUSTER | | Authors: | Macedo, S, Mitchell, E.P, Romao, C.V, Cooper, S.J, Coelho, R, Liu, M.Y, Xavier, A.V, Legall, J, Bailey, S, Garner, D.C, Hagen, W.R, Teixeira, M, Carrondo, M.A, Lindley, P. | | Deposit date: | 2001-10-08 | | Release date: | 2002-04-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Hybrid cluster proteins (HCPs) from Desulfovibrio desulfuricans ATCC 27774 and Desulfovibrio vulgaris (Hildenborough): X-ray structures at 1.25 A resolution using synchrotron radiation.
J. Biol. Inorg. Chem., 7, 2002
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7P0N
 | | Crystal structure of L-Trp/Indoleamine 2,3-dioxygenagse 1 (hIDO1) complex with the JK-loop refined in the open conformation | | Descriptor: | CHLORIDE ION, GLYCEROL, Indoleamine 2,3-dioxygenase 1, ... | | Authors: | Mirgaux, M, Wouters, J. | | Deposit date: | 2021-06-30 | | Release date: | 2021-12-29 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Temporary Intermediates of L-Trp Along the Reaction Pathway of Human Indoleamine 2,3-Dioxygenase 1 and Identification of an Exo Site.
Int J Tryptophan Res, 14, 2021
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3ZC6
 | | Crystal structure of JAK3 kinase domain in complex with an indazole substituted pyrrolopyrazine inhibitor | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxidanylidene-propan-2-yl]-2-(6-fluoranyl-1-methyl-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, ... | | Authors: | Kuglstatter, A, Jestel, A, Nagel, S, Boettcher, J, Blaesse, M. | | Deposit date: | 2012-11-16 | | Release date: | 2013-09-25 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Strategic Use of Conformational Bias and Structure Based Design to Identify Potent Jak3 Inhibitors with Improved Selectivity Against the Jak Family and the Kinome.
Bioorg.Med.Chem.Lett., 23, 2013
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2H8H
 | | Src kinase in complex with a quinazoline inhibitor | | Descriptor: | N-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-7-[2-(4-METHYLPIPERAZIN-1-YL)ETHOXY]-5-(TETRAHYDRO-2H-PYRAN-4-YLOXY)QUINAZOLIN-4-AMINE, Proto-oncogene tyrosine-protein kinase Src | | Authors: | Otterbein, L.R, Norman, R, Pauptit, R.A, Rowsell, S, Breed, J. | | Deposit date: | 2006-06-07 | | Release date: | 2006-11-21 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | N-(5-chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5- (tetrahydro-2H-pyran-4-yloxy)quinazolin-4-amine, a novel, highly selective, orally available, dual-specific c-Src/Abl kinase inhibitor.
J.Med.Chem., 49, 2006
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6BHE
 | | Crystal structure of SETDB1 with a modified H3 peptide | | Descriptor: | Histone H3.1, Histone-lysine N-methyltransferase SETDB1, UNKNOWN ATOM OR ION | | Authors: | Qin, S, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-10-30 | | Release date: | 2017-12-06 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | H3K14ac is linked to methylation of H3K9 by the triple Tudor domain of SETDB1.
Nat Commun, 8, 2017
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3SDC
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3X22
 | | Crystal structure of Escherichia coli nitroreductase NfsB mutant N71S/F123A/F124W | | Descriptor: | FLAVIN MONONUCLEOTIDE, Oxygen-insensitive NAD(P)H nitroreductase | | Authors: | Bai, J, Yang, J, Zhou, Y, Yang, Q. | | Deposit date: | 2014-12-06 | | Release date: | 2015-11-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Structural basis of Escherichia coli nitroreductase NfsB triple mutants engineered for improved activity and regioselectivity toward the prodrug CB1954
PROCESS BIOCHEM, 50, 2015
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2PWP
 | | Crystal structure of spermidine synthase from Plasmodium falciparum in complex with spermidine | | Descriptor: | GLYCEROL, SPERMIDINE, SULFATE ION, ... | | Authors: | Qiu, W, Dong, A, Ren, H, Wu, H, Zhao, Y, Schapira, M, Wasney, G, Vedadi, M, Lew, J, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Plotnikov, A.N, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-05-11 | | Release date: | 2007-05-22 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of spermidine synthase from Plasmodium falciparum in complex with spermidine.
To be Published
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6BOZ
 | | Structure of human SETD8 in complex with covalent inhibitor MS4138 | | Descriptor: | 1,2-ETHANEDIOL, N-(3-{[7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl)quinazolin-4-yl]amino}propyl)prop-2-enamide, N-lysine methyltransferase KMT5A | | Authors: | Babault, N, Anqi, M, Jin, J. | | Deposit date: | 2017-11-21 | | Release date: | 2019-05-01 | | Last modified: | 2019-12-04 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The dynamic conformational landscape of the protein methyltransferase SETD8.
Elife, 8, 2019
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7DHP
 | | Crystal structure of MazF from Deinococcus radiodurans | | Descriptor: | Endoribonuclease MazF, SULFATE ION | | Authors: | Zhao, Y, Dai, J. | | Deposit date: | 2020-11-17 | | Release date: | 2021-03-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | MazEF Toxin-Antitoxin System-Mediated DNA Damage Stress Response in Deinococcus radiodurans.
Front Genet, 12, 2021
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4PHU
 | | Crystal structure of Human GPR40 bound to allosteric agonist TAK-875 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, DIMETHYL SULFOXIDE, Free fatty acid receptor 1,Lysozyme, ... | | Authors: | Srivastava, A, Yano, J.K, Hirozane, Y, Kefala, G, Snell, G, Lane, W, Gruswitz, F, Ivetac, A, Aertgeerts, K, Nguyen, J, Jennings, A, Okada, K. | | Deposit date: | 2014-05-07 | | Release date: | 2014-07-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.332 Å) | | Cite: | High-resolution structure of the human GPR40 receptor bound to allosteric agonist TAK-875.
Nature, 513, 2014
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