3KML
 
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1SO3
 | | Crystal structure of H136A mutant of 3-keto-L-gulonate 6-phosphate decarboxylase with bound L-threonohydroxamate 4-phosphate | | Descriptor: | 3-keto-L-gulonate 6-phosphate decarboxylase, L-THREONOHYDROXAMATE 4-PHOSPHATE, MAGNESIUM ION | | Authors: | Wise, E.L, Yew, W.S, Gerlt, J.A, Rayment, I. | | Deposit date: | 2004-03-12 | | Release date: | 2004-06-08 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Evolution of Enzymatic Activities in the Orotidine 5'-Monophosphate Decarboxylase Suprafamily: Crystallographic Evidence for a Proton Relay System in the Active Site of 3-Keto-l-gulonate 6-Phosphate Decarboxylase(,)
Biochemistry, 43, 2004
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2HKB
 | | NMR Structure of the B-DNA Dodecamer CTCGGCGCCATC | | Descriptor: | 5'-D(*CP*TP*CP*GP*GP*CP*GP*CP*CP*AP*TP*C)-3', 5'-D(*GP*AP*TP*GP*GP*CP*GP*CP*CP*GP*AP*G)-3' | | Authors: | Wang, F, DeMuro, N.E, Elmquist, C.E, Stover, J.S, Rizzo, C.J, Stone, M.P. | | Deposit date: | 2006-07-03 | | Release date: | 2006-10-03 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Base-displaced intercalated structure of the food mutagen 2-amino-3-methylimidazo[4,5-f]quinoline in the recognition sequence of the NarI restriction enzyme, a hotspot for -2 bp deletions.
J.Am.Chem.Soc., 128, 2006
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5UGW
 | | STRUCTURE OF THE HUMAN TELOMERASE THUMB DOMAIN | | Descriptor: | GLUTATHIONE, Telomerase reverse transcriptase | | Authors: | Skordalakes, E, Hoffman, H. | | Deposit date: | 2017-01-10 | | Release date: | 2017-02-08 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Structural Analysis Reveals the Deleterious Effects of Telomerase Mutations in Bone Marrow Failure Syndromes.
J. Biol. Chem., 292, 2017
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3F85
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1SO4
 | | Crystal structure of K64A mutant of 3-keto-L-gulonate 6-phosphate decarboxylase with bound L-threonohydroxamate 4-phosphate | | Descriptor: | 3-keto-L-gulonate 6-phosphate decarboxylase, L-THREONOHYDROXAMATE 4-PHOSPHATE, MAGNESIUM ION | | Authors: | Wise, E.L, Yew, W.S, Gerlt, J.A, Rayment, I. | | Deposit date: | 2004-03-12 | | Release date: | 2004-06-08 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Evolution of Enzymatic Activities in the Orotidine 5'-Monophosphate Decarboxylase Suprafamily: Crystallographic Evidence for a Proton Relay System in the Active Site of 3-Keto-l-gulonate 6-Phosphate Decarboxylase(,)
Biochemistry, 43, 2004
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2QGF
 | | Structure of regulatory chain mutant H20A of asparate transcarbamoylase from E. coli | | Descriptor: | Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, ZINC ION | | Authors: | Stec, B, Williams, M.K, Stieglitz, K.A, Kantrowitz, E.R. | | Deposit date: | 2007-06-28 | | Release date: | 2008-02-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Comparison of two T-state structures of regulatory-chain mutants of Escherichia coli aspartate transcarbamoylase suggests that His20 and Asp19 modulate the response to heterotropic effectors.
Acta Crystallogr.,Sect.D, 63, 2007
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1DJ3
 | | STRUCTURES OF ADENYLOSUCCINATE SYNTHETASE FROM TRITICUM AESTIVUM AND ARABIDOPSIS THALIANA | | Descriptor: | ADENYLOSUCCINATE SYNTHETASE, GUANOSINE-5'-DIPHOSPHATE | | Authors: | Prade, L, Cowan-Jacob, S.W, Chemla, P, Potter, S, Ward, E, Fonne-Pfister, R. | | Deposit date: | 1999-12-01 | | Release date: | 2000-03-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structures of adenylosuccinate synthetase from Triticum aestivum and Arabidopsis thaliana.
J.Mol.Biol., 296, 2000
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5Y4I
 | | Crystal structure of glucose isomerase in complex with glycerol in one metal binding mode | | Descriptor: | ACETATE ION, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Bae, J.E, Kim, I.J, Nam, K.H. | | Deposit date: | 2017-08-03 | | Release date: | 2017-09-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Crystal structure of glucose isomerase in complex with xylitol inhibitor in one metal binding mode
Biochem. Biophys. Res. Commun., 493, 2017
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5V6V
 | | Crystal structure of small molecule aziridine 3 covalently bound to K-Ras G12C | | Descriptor: | 3-amino-1-{4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl}propan-1-one, CALCIUM ION, GLYCEROL, ... | | Authors: | McGregor, L.M, Jenkins, M, Kerwin, C, Burke, J.E, Shokat, K.M. | | Deposit date: | 2017-03-17 | | Release date: | 2017-06-28 | | Last modified: | 2019-11-20 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Expanding the Scope of Electrophiles Capable of Targeting K-Ras Oncogenes.
Biochemistry, 56, 2017
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5QHA
 | | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with PCM-0102951 | | Descriptor: | ACETATE ION, N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide, Peroxisomal coenzyme A diphosphatase NUDT7 | | Authors: | Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | Deposit date: | 2018-09-21 | | Release date: | 2019-03-27 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5YHL
 | | Crystal structure of the human prostaglandin E receptor EP4 in complex with Fab and an antagonist Br-derivative | | Descriptor: | 4-[2-[[(2R)-2-(4-bromanylnaphthalen-1-yl)propanoyl]amino]-4-cyano-phenyl]butanoic acid, Heavy chain of Fab fragment, Light chain of Fab fragment, ... | | Authors: | Toyoda, Y, Morimoto, K, Suno, R, Horita, S, Iwata, S, Kobayashi, T. | | Deposit date: | 2017-09-28 | | Release date: | 2018-12-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (4.2 Å) | | Cite: | Ligand binding to human prostaglandin E receptor EP4at the lipid-bilayer interface.
Nat. Chem. Biol., 15, 2019
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4F6V
 | | Crystal structure of dehydrosqualene synthase (crtm) from s. aureus complexed with bph-1034, mg2+ and fmp. | | Descriptor: | (2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl dihydrogen phosphate, 2,4-dioxo-4-{[3-(3-phenoxyphenyl)propyl]amino}butanoic acid, Dehydrosqualene synthase, ... | | Authors: | Lin, F.-Y, Zhang, Y, Liu, Y.-L, Oldfield, E. | | Deposit date: | 2012-05-15 | | Release date: | 2012-06-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | HIV-1 Integrase Inhibitor-Inspired Antibacterials Targeting Isoprenoid Biosynthesis.
ACS Med Chem Lett, 3, 2012
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3LXS
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7W6Y
 | | Crystal structure of Kangiella koreensis RseP orthologue in complex with batimastat in space group P1 | | Descriptor: | 4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE, Anti sigma-E protein, RseA, ... | | Authors: | Imaizumi, Y, Takanuki, K, Nogi, T. | | Deposit date: | 2021-12-02 | | Release date: | 2022-09-07 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Mechanistic insights into intramembrane proteolysis by E. coli site-2 protease homolog RseP.
Sci Adv, 8, 2022
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4F6X
 | | Crystal structure of dehydrosqualene synthase (crtm) from s. aureus complexed with bph-1112 | | Descriptor: | 1-[3-(hexyloxy)benzyl]-4-hydroxy-2-oxo-1,2-dihydropyridine-3-carboxylic acid, D(-)-TARTARIC ACID, Dehydrosqualene synthase, ... | | Authors: | Lin, F.-Y, Zhang, Y, Liu, Y.-L, Oldfield, E. | | Deposit date: | 2012-05-15 | | Release date: | 2012-06-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | HIV-1 Integrase Inhibitor-Inspired Antibacterials Targeting Isoprenoid Biosynthesis.
ACS Med Chem Lett, 3, 2012
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3L8E
 | | Crystal Structure of apo form of D,D-heptose 1.7-bisphosphate phosphatase from E. Coli | | Descriptor: | ACETIC ACID, D,D-heptose 1,7-bisphosphate phosphatase, ZINC ION | | Authors: | Nguyen, H, Peisach, E, Allen, K.N. | | Deposit date: | 2009-12-31 | | Release date: | 2010-02-02 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Structural Determinants of Substrate Recognition in the HAD Superfamily Member d-glycero-d-manno-Heptose-1,7-bisphosphate Phosphatase (GmhB) .
Biochemistry, 49, 2010
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5V6S
 | | Crystal structure of small molecule acrylamide 1 covalently bound to K-Ras G12C | | Descriptor: | 1-{4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl}propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | McGregor, L.M, Jenkins, M, Kerwin, C, Burke, J.E, Shokat, K.M. | | Deposit date: | 2017-03-17 | | Release date: | 2017-06-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Expanding the Scope of Electrophiles Capable of Targeting K-Ras Oncogenes.
Biochemistry, 56, 2017
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3GMB
 | | Crystal Structure of 2-Methyl-3-hydroxypyridine-5-carboxylic acid Oxygenase | | Descriptor: | 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | McCulloch, K.M, Mukherjee, T, Begley, T.P, Ealick, S.E. | | Deposit date: | 2009-03-13 | | Release date: | 2009-04-14 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of the PLP degradative enzyme 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase from Mesorhizobium loti MAFF303099 and its mechanistic implications.
Biochemistry, 48, 2009
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2CI8
 | | sh2 domain of human nck1 adaptor protein - uncomplexed | | Descriptor: | CYTOPLASMIC PROTEIN NCK1, PENTAETHYLENE GLYCOL, SULFATE ION | | Authors: | Frese, S, Schubert, W.-D, Findeis, A.C, Marquardt, T, Roske, Y.S, Stradal, T.E.B, Heinz, D.W. | | Deposit date: | 2006-03-17 | | Release date: | 2006-04-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Phosphotyrosine Peptide Binding Specificity of Nck1 and Nck2 Src Homology 2 Domains.
J.Biol.Chem., 281, 2006
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1J7S
 | | Crystal Structure of deoxy HbalphaYQ, a mutant of HbA | | Descriptor: | Hemoglobin, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Miele, A.E, Draghi, F, Arcovito, A, Bellelli, A, Brunori, M, Travaglini-Allocatelli, C, Vallone, B. | | Deposit date: | 2001-05-18 | | Release date: | 2002-02-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Control of heme reactivity by diffusion: structural basis and functional characterization in hemoglobin mutants.
Biochemistry, 40, 2001
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5K8H
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2CC0
 | | Family 4 carbohydrate esterase from Streptomyces lividans in complex with acetate | | Descriptor: | ACETATE ION, ACETYL-XYLAN ESTERASE, ZINC ION | | Authors: | Taylor, E.J, Gloster, T.M, Turkenburg, J.P, Vincent, F, Brzozowski, A.M, Dupont, C, Shareck, F, Centeno, M.S.J, Prates, J.A.M, Puchart, V, Ferreira, L.M.A, Fontes, C.M.G.A, Biely, P, Davies, G.J. | | Deposit date: | 2006-01-10 | | Release date: | 2006-01-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure and Activity of Two Metal-Ion Dependent Acetyl Xylan Esterases Involved in Plant Cell Wall Degradation Reveals a Close Similarity to Peptidoglycan Deacetylases
J.Biol.Chem., 281, 2006
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4IXM
 | | Crystal structure of Zn(II)-bound YjiA GTPase from E. coli | | Descriptor: | SULFATE ION, Uncharacterized GTP-binding protein YjiA, ZINC ION | | Authors: | Jost, M, Ryan, K.S, Turo, K.E, Drennan, C.L. | | Deposit date: | 2013-01-26 | | Release date: | 2013-02-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Metal binding properties of Escherichia coli YjiA, a member of the metal homeostasis-associated COG0523 family of GTPases.
Biochemistry, 52, 2013
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1DPS
 | | THE CRYSTAL STRUCTURE OF DPS, A FERRITIN HOMOLOG THAT BINDS AND PROTECTS DNA | | Descriptor: | DPS, SODIUM ION | | Authors: | Grant, R.A, Filman, D.J, Finkel, S.E, Kolter, R, Hogle, J.M. | | Deposit date: | 1998-02-23 | | Release date: | 1998-09-16 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The crystal structure of Dps, a ferritin homolog that binds and protects DNA.
Nat.Struct.Biol., 5, 1998
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