5MSQ
 
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4QRP
 | | Crystal Structure of HLA B*0801 in complex with HSKKKCDEL and DD31 TCR | | Descriptor: | Beta-2-microglobulin, DD31 TCR alpha chain, DD31 TCR beta chain, ... | | Authors: | Gras, S, Berry, R, Lucet, I.S, Rossjohn, J. | | Deposit date: | 2014-07-02 | | Release date: | 2014-11-12 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | An Extensive Antigenic Footprint Underpins Immunodominant TCR Adaptability against a Hypervariable Viral Determinant.
J.Immunol., 193, 2014
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5MSX
 | | Glycoside hydrolase BT_3662 | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J. | | Deposit date: | 2017-01-06 | | Release date: | 2017-03-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Complex pectin metabolism by gut bacteria reveals novel catalytic functions.
Nature, 544, 2017
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5MSP
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8ECG
 | | Complex of HMG1 with pitavastatin | | Descriptor: | 3-hydroxy-3-methylglutaryl-coenzyme A reductase 1, GLYCEROL, Pitavastatin | | Authors: | Haywood, J, Bond, C.S. | | Deposit date: | 2022-09-01 | | Release date: | 2022-09-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | A fungal tolerance trait and selective inhibitors proffer HMG-CoA reductase as a herbicide mode-of-action.
Nat Commun, 13, 2022
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5MSV
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5U6C
 | | Crystal structure of the Mer kinase domain in complex with a macrocyclic inhibitor | | Descriptor: | (10R)-7-amino-11-chloro-12-fluoro-1-(2-hydroxyethyl)-3,10,16-trimethyl-16,17-dihydro-1H-8,4-(azeno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10H)-one, Tyrosine-protein kinase Mer | | Authors: | Gajiwala, K.S, Ferre, R.A. | | Deposit date: | 2016-12-07 | | Release date: | 2017-07-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Axl kinase domain in complex with a macrocyclic inhibitor offers first structural insights into an active TAM receptor kinase.
J. Biol. Chem., 292, 2017
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4QWP
 | | co-crystal structure of chitosanase OU01 with substrate | | Descriptor: | 2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose, 2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | | Authors: | Lyu, Q, Liu, W, Han, B. | | Deposit date: | 2014-07-17 | | Release date: | 2015-07-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and biochemical insights into the degradation mechanism of chitosan by chitosanase OU01.
Biochim.Biophys.Acta, 1850, 2015
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3OW8
 | | Crystal Structure of the WD repeat-containing protein 61 | | Descriptor: | UNKNOWN ATOM OR ION, WD repeat-containing protein 61 | | Authors: | Tempel, W, Li, Z, Chao, X, Lam, R, Wernimont, A.K, He, H, Seitova, A, Pan, P.W, Li, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-09-17 | | Release date: | 2010-09-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure and function of WD40 domain proteins.
Protein Cell, 2, 2011
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6BL1
 | | Novel Modes of Inhibition of Wild-Type IDH1: Direct Covalent Modification of His315 with Cmpd13 | | Descriptor: | (6aS,7S,9S,10aS)-7-methyl-8-oxo-10a-phenyl-2-(phenylamino)-5,6,6a,7,8,9,10,10a-octahydrobenzo[h]quinazoline-9-carbonitrile, CALCIUM ION, ISOCITRIC ACID, ... | | Authors: | Jakob, C.G, Qiu, W. | | Deposit date: | 2017-11-09 | | Release date: | 2018-07-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315.
J. Med. Chem., 61, 2018
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8AFN
 | | Small molecule stabilizer (compound 1) for ERalpha and 14-3-3 | | Descriptor: | 1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-4-carboxamide, 14-3-3 protein sigma, Estrogen receptor, ... | | Authors: | Kenanova, D.N, Visser, E.J, Virta, J, Sijbesma, E, Centorrino, F, Zhong, M, Vickery, H, Neitz, J, Brunsveld, L, Ottmann, C, Arkin, M.R. | | Deposit date: | 2022-07-18 | | Release date: | 2023-04-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers.
Acs Cent.Sci., 9, 2023
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4IW1
 | | HSA-fructose complex | | Descriptor: | D-fructose, PHOSPHATE ION, Serum albumin, ... | | Authors: | Wang, Y, Yu, H, Shi, X, Huang, M. | | Deposit date: | 2013-01-23 | | Release date: | 2013-04-24 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Structural mechanism of ring-opening reaction of glucose by human serum albumin
J.Biol.Chem., 288, 2013
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6BKZ
 | | Novel Modes of Inhibition of Wild-Type IDH1: Non-equivalent Allosteric Inhibition with Cmpd3 | | Descriptor: | (7R)-1-[(4-fluorophenyl)methyl]-N-{3-[(1R)-1-hydroxyethyl]phenyl}-7-methyl-5-(1H-pyrrole-2-carbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide, Isocitrate dehydrogenase [NADP] cytoplasmic, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Jakob, C.G, Qiu, W. | | Deposit date: | 2017-11-09 | | Release date: | 2018-07-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315.
J. Med. Chem., 61, 2018
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4J2V
 | | Crystal Structure of Equine Serum Albumin in complex with 3,5-diiodosalicylic acid | | Descriptor: | 2-HYDROXY-3,5-DIIODO-BENZOIC ACID, ACETATE ION, FORMIC ACID, ... | | Authors: | Sekula, B, Bujacz, A, Zielinski, K, Bujacz, G. | | Deposit date: | 2013-02-05 | | Release date: | 2013-07-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Crystallographic studies of the complexes of bovine and equine serum albumin with 3,5-diiodosalicylic acid.
Int.J.Biol.Macromol., 60C, 2013
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1KX9
 | | ANTENNAL CHEMOSENSORY PROTEIN A6 FROM THE MOTH MAMESTRA BRASSICAE | | Descriptor: | ACETATE ION, CHEMOSENSORY PROTEIN A6 | | Authors: | Lartigue, A, Campanacci, V, Roussel, A, Larsson, A.M, Jones, T.A, Tegoni, M, Cambillau, C. | | Deposit date: | 2002-01-31 | | Release date: | 2002-12-04 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | X-ray structure and ligand binding study of a moth chemosensory protein
J.Biol.Chem., 277, 2002
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6BLD
 | | Mycobacterium marinum cytochrome P450 CYP268A2 in complex with pseudoionone | | Descriptor: | (3E,5E)-6,10-dimethylundeca-3,5,9-trien-2-one, Cytochrome P450 268A2 Cyp268A2, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Child, S.A, Bruning, J.B, Bell, S.G. | | Deposit date: | 2017-11-09 | | Release date: | 2018-01-24 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.997 Å) | | Cite: | Structural and functional characterisation of the cytochrome P450 enzyme CYP268A2 from
Biochem. J., 475, 2018
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1C7J
 | | PNB ESTERASE 56C8 | | Descriptor: | POTASSIUM ION, PROTEIN (PARA-NITROBENZYL ESTERASE), SULFATE ION | | Authors: | Spiller, B, Gershenson, A, Arnold, F, Stevens, R.C. | | Deposit date: | 2000-02-21 | | Release date: | 2000-03-29 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A structural view of evolutionary divergence.
Proc.Natl.Acad.Sci.USA, 96, 1999
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8ARC
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8ARB
 | | Heterologous Complex of shortened Aeromonas hydrophila Type III secretion substrate AscX with Yersinia enterocolitica chaperone YscY | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AscX, Chaperone protein YscY, ... | | Authors: | Gilzer, D, Flottmann, F, Niemann, H.H. | | Deposit date: | 2022-08-16 | | Release date: | 2023-04-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | The type III secretion chaperone SctY may shield the hydrophobic export gate-binding C-terminus of its substrate SctX.
Acta Crystallogr D Struct Biol, 79, 2023
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3WF8
 | | Crystal structure of S6K1 kinase domain in complex with a quinoline derivative 2-oxo-2-[(4-sulfamoylphenyl)amino]ethyl 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate | | Descriptor: | 2-oxo-2-[(4-sulfamoylphenyl)amino]ethyl 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate, GLYCEROL, Ribosomal protein S6 kinase beta-1, ... | | Authors: | Niwa, H, Shirouzu, M, Yokoyama, S. | | Deposit date: | 2013-07-17 | | Release date: | 2014-08-06 | | Last modified: | 2014-10-29 | | Method: | X-RAY DIFFRACTION (1.975 Å) | | Cite: | Crystal structures of the S6K1 kinase domain in complexes with inhibitors
J.Struct.Funct.Genom., 15, 2014
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5U8K
 | | RitR mutant - C128S | | Descriptor: | Response regulator | | Authors: | Silvaggi, N.R, Han, L. | | Deposit date: | 2016-12-14 | | Release date: | 2017-12-20 | | Last modified: | 2018-11-28 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | RitR is an archetype for a novel family of redox sensors in the streptococci that has evolved from two-component response regulators and is required for pneumococcal colonization.
PLoS Pathog., 14, 2018
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8ARA
 | | Heterologous Complex of Aeromonas hydrophila Type III secretion substrate AscX with Yersinia enterocolitica chaperone YscY | | Descriptor: | ACETATE ION, AscX, CHLORIDE ION, ... | | Authors: | Gilzer, D, Kowal, J.L, Niemann, H.H. | | Deposit date: | 2022-08-16 | | Release date: | 2023-04-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The type III secretion chaperone SctY may shield the hydrophobic export gate-binding C-terminus of its substrate SctX.
Acta Crystallogr D Struct Biol, 79, 2023
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3WKY
 | | Crystal structure of hemolymph type prophenoloxidase (proPOb) from crustacean | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Masuda, T, Mikami, B. | | Deposit date: | 2013-11-02 | | Release date: | 2014-04-23 | | Last modified: | 2022-08-24 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | The crystal structure of a crustacean prophenoloxidase provides a clue to understanding the functionality of the type 3 copper proteins.
Febs J., 281, 2014
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3WG8
 | | Crystal structure of the abscisic acid receptor PYR1 in complex with an antagonist AS6 | | Descriptor: | (2Z,4E)-5-[(1S)-3-(hexylsulfanyl)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Abscisic acid receptor PYR1 | | Authors: | Akiyama, T, Sue, M, Takeuchi, J, Okamoto, M, Muto, T, Endo, A, Nambara, E, Hirai, N, Ohnishi, T, Cutler, S.R, Todoroki, Y, Yajima, S. | | Deposit date: | 2013-07-31 | | Release date: | 2014-05-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Designed abscisic acid analogs as antagonists of PYL-PP2C receptor interactions
Nat.Chem.Biol., 10, 2014
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4R3N
 | | Crystal structure of the ternary complex of sp-ASADH with NADP and 1,2,3-Benzenetricarboxylic acid | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Aspartate-semialdehyde dehydrogenase, ... | | Authors: | Pavlovsky, A.G, Viola, R.E. | | Deposit date: | 2014-08-16 | | Release date: | 2014-12-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | A cautionary tale of structure-guided inhibitor development against an essential enzyme in the aspartate-biosynthetic pathway.
Acta Crystallogr.,Sect.D, 70, 2014
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