4FX9
| Structure of the Pyrococcus horikoshii CoA persulfide/polysulfide reductase | Descriptor: | COENZYME A, Coenzyme A disulfide reductase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Herwald, S, Lopez, K.M, Crane III, E.J, Sazinsky, M.H. | Deposit date: | 2012-07-02 | Release date: | 2013-04-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure and substrate specificity of the pyrococcal coenzyme A disulfide reductases/polysulfide reductases (CoADR/Psr): implications for S(0)-based respiration and a sulfur-dependent antioxidant system in Pyrococcus. Biochemistry, 52, 2013
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6VYK
| Cryo-EM structure of mechanosensitive channel MscS in PC-18:1 nanodiscs | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Mechanosensitive channel MscS | Authors: | Zhang, Y, Daday, C, Gu, R, Cox, C.D, Martinac, B, Groot, B, Walz, T. | Deposit date: | 2020-02-27 | Release date: | 2021-02-10 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Visualization of the mechanosensitive ion channel MscS under membrane tension. Nature, 590, 2021
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4OOY
| Avibactam and class C beta-lactamases: mechanism of inhibition, conservation of binding pocket and implications for resistance | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase | Authors: | Lahiri, S.D, Olivier, N.B, Alm, R.A. | Deposit date: | 2014-02-04 | Release date: | 2014-08-20 | Last modified: | 2018-02-14 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Avibactam and Class C beta-Lactamases: Mechanism of Inhibition, Conservation of the Binding Pocket, and Implications for Resistance. Antimicrob.Agents Chemother., 58, 2014
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5DMY
| Beta-galactosidase - construct 33-930 | Descriptor: | 1,2-ETHANEDIOL, Beta-galactosidase, MAGNESIUM ION, ... | Authors: | Watson, K.A, Lazidou, A. | Deposit date: | 2015-09-09 | Release date: | 2016-10-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Rational protein engineering toward the development of a beta-galactosidase with improved functional properties To Be Published
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2W4H
| Isometrically contracting insect asynchronous flight muscle quick frozen after a quick release step | Descriptor: | MYOSIN HEAVY CHAIN, SKELETAL MUSCLE, ADULT, ... | Authors: | Wu, S, Liu, J, Reedy, M.C, Tregear, R.T, Winkler, H, Franzini-Armstrong, C, Sasaki, H, Lucaveche, C, Goldman, Y.E, Reedy, M.K, Taylor, K.A. | Deposit date: | 2008-11-25 | Release date: | 2010-08-25 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (35 Å) | Cite: | Structural Changes in Isometrically Contracting Insect Flight Muscle Trapped Following a Mechanical Perturbation. Plos One, 7, 2012
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7O3O
| Structure of haloalkane dehalogenase mutant DhaA80(T148L, G171Q, A172V, C176F) from Rhodococcus rhodochrous with ionic liquid | Descriptor: | CHLORIDE ION, ETHANOLAMINE, Haloalkane dehalogenase | Authors: | Shaposhnikova, A, Prudnikova, T, Kuta Smatanova, I. | Deposit date: | 2021-04-02 | Release date: | 2021-09-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Stabilization of Haloalkane Dehalogenase Structure by Interfacial Interaction with Ionic Liquids Crystals, 11, 2021
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6VNC
| JAK2 JH1 in complex with BL2-096 | Descriptor: | (3R)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile, Tyrosine-protein kinase JAK2 | Authors: | Davis, R.R, Schonbrunn, E. | Deposit date: | 2020-01-29 | Release date: | 2021-02-17 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof. J.Med.Chem., 64, 2021
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6VNG
| JAK2 JH1 in complex with PN2-118 | Descriptor: | N-{2-fluoro-5-[(2-{[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]phenyl}-2-methylpropane-2-sulfonamide, Tyrosine-protein kinase JAK2 | Authors: | Davis, R.R, Schonbrunn, E. | Deposit date: | 2020-01-29 | Release date: | 2021-02-17 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof. J.Med.Chem., 64, 2021
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7ODA
| OXA-48-like Beta-lactamase OXA-436 | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION | Authors: | Lund, B.A, Thomassen, A.M, Carlsen, T.J.W, Leiros, H.K.S. | Deposit date: | 2021-04-29 | Release date: | 2021-09-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.796 Å) | Cite: | Biochemical and biophysical characterization of the OXA-48-like carbapenemase OXA-436. Acta Crystallogr.,Sect.F, 77, 2021
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4GHL
| Structural Basis for Marburg virus VP35 mediate immune evasion mechanisms | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Ramanan, P, Borek, D.M, Otwinowski, Z, Leung, D.W, Amarasinghe, G.K. | Deposit date: | 2012-08-07 | Release date: | 2012-11-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Structural basis for Marburg virus VP35-mediated immune evasion mechanisms. Proc.Natl.Acad.Sci.USA, 109, 2012
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7O0E
| Crystal structure of GH30 (mutant E188A) complexed with aldotriuronic acid from Thermothelomyces thermophila. | Descriptor: | 1,2-ETHANEDIOL, 4-O-methyl-alpha-D-glucopyranuronic acid-(1-2)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, DI(HYDROXYETHYL)ETHER, ... | Authors: | Dimarogona, M, Kosinas, C, Feiler, C, Weiss, M.S, Topakas, E, Nikolaivits, E. | Deposit date: | 2021-03-26 | Release date: | 2021-09-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Unique features of the bifunctional GH30 from Thermothelomyces thermophila revealed by structural and mutational studies Carbohydrate Polymers, 273, 2021
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4GI4
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6VNF
| JAK2 JH1 in complex with MA9-086 | Descriptor: | N~4~-[1-(tert-butylsulfonyl)-2,3-dihydro-1H-indol-6-yl]-N~2~-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine, Tyrosine-protein kinase JAK2 | Authors: | Davis, R.R, Schonbrunn, E. | Deposit date: | 2020-01-29 | Release date: | 2021-02-17 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof. J.Med.Chem., 64, 2021
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5A4D
| Crystal structure of the chloroplastic gamma-ketol reductase from Arabidopsis thaliana bound to 13KOTE and NADP | Descriptor: | (13-oxo-9(Z),11(E),15(Z)-octadecatrienoic acid), NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PUTATIVE QUINONE-OXIDOREDUCTASE HOMOLOG, ... | Authors: | Mas-y-mas, S, Curien, G, Giustini, C, Rolland, N, Ferrer, J.L, Cobessi, D. | Deposit date: | 2015-06-08 | Release date: | 2016-09-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.807 Å) | Cite: | Crystal Structure of the Chloroplastic Oxoene Reductase ceQORH from Arabidopsis thaliana. Front Plant Sci, 8, 2017
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6VNB
| JAK2 JH1 in complex with BL2-084 | Descriptor: | (3S)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile, Tyrosine-protein kinase JAK2 | Authors: | Davis, R.R, Schonbrunn, E. | Deposit date: | 2020-01-29 | Release date: | 2021-02-17 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof. J.Med.Chem., 64, 2021
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1PHG
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4XGM
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3EGK
| KNOBLE Inhibitor | Descriptor: | Hirudin variant-1, SODIUM ION, Thrombin heavy chain, ... | Authors: | Baum, B, Heine, A, Klebe, G, Muenzel, M. | Deposit date: | 2008-09-10 | Release date: | 2008-09-30 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | KNOBLE: a knowledge-based approach for the design and synthesis of readily accessible small-molecule chemical probes to test protein binding Angew.Chem.Int.Ed.Engl., 46, 2007
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6VNE
| JAK2 JH1 in complex with Fedratinib | Descriptor: | N-tert-butyl-3-{[5-methyl-2-({4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide, Tyrosine-protein kinase JAK2 | Authors: | Davis, R.R, Schonbrunn, E. | Deposit date: | 2020-01-29 | Release date: | 2021-02-17 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof. J.Med.Chem., 64, 2021
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2W9P
| Crystal Structure of Potato Multicystatin | Descriptor: | MULTICYSTATIN | Authors: | Nissen, M.S, Kumar, G.N, Youn, B, Knowles, D.B, Lam, K.S, Ballinger, W.J, Knowles, N.R, Kang, C. | Deposit date: | 2009-01-28 | Release date: | 2010-02-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Characterization of Solanum Tuberosum Multicystatin and its Structural Comparison with Other Cystatins. Plant Cell, 21, 2009
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7O8B
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4XOP
| Tailspike protein double mutant D339N/E372Q of E. coli bacteriophage HK620 in complex with hexasaccharide | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, SODIUM ION, ... | Authors: | Gohlke, U, Broeker, N.K, Heinemann, U, Seckler, R, Barbirz, S. | Deposit date: | 2015-01-16 | Release date: | 2016-01-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Enthalpic cost of water removal from a hydrophobic glucose binding cavity on HK620 tailspike protein. to be published
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6VN8
| JAK2 JH1 in complex with baricitinib | Descriptor: | Baricitinib, Tyrosine-protein kinase JAK2 | Authors: | Davis, R.R, Schonbrunn, E. | Deposit date: | 2020-01-29 | Release date: | 2021-02-17 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof. J.Med.Chem., 64, 2021
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4FYW
| E. coli Aspartate Transcarbamoylase complexed with CTP | Descriptor: | Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, CYTIDINE-5'-TRIPHOSPHATE, ... | Authors: | Cockrell, G.M, Kantrowitz, E.R. | Deposit date: | 2012-07-05 | Release date: | 2012-10-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Metal Ion Involvement in the Allosteric Mechanism of Escherichia coli Aspartate Transcarbamoylase. Biochemistry, 51, 2012
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6VNJ
| JAK2 JH1 in complex with PN4-014 | Descriptor: | 3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile, Tyrosine-protein kinase JAK2 | Authors: | Davis, R.R, Schonbrunn, E. | Deposit date: | 2020-01-29 | Release date: | 2021-02-17 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof. J.Med.Chem., 64, 2021
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