4HK9
 
 | | Crystal Structures of Mutant Endo-beta-1,4-xylanase II Complexed with substrate (1.15 A) and Products (1.6 A) | | Descriptor: | Endo-1,4-beta-xylanase 2, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose | | Authors: | Langan, P, Wan, Q, Coates, L, Kovalevsky, A. | | Deposit date: | 2012-10-15 | | Release date: | 2014-01-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | X-ray crystallographic studies of family 11 xylanase Michaelis and product complexes: implications for the catalytic mechanism.
Acta Crystallogr.,Sect.D, 70, 2014
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4HOF
 | | Candida albicans dihydrofolate reductase complexed with NADPH and 5-[3-(2-methoxy-4-phenylphenyl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine (UCP111H) | | Descriptor: | 5-[3-(2-methoxy-4-phenylphenyl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine, Dihydrofolate reductase, GLYCEROL, ... | | Authors: | Paulsen, J.L, Anderson, A.C. | | Deposit date: | 2012-10-22 | | Release date: | 2014-03-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Propargyl-Linked Antifolates are Dual Inhibitors of Candida albicans and Candida glabrata.
J.Med.Chem., 57, 2014
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4HUW
 | | Crystal Structure of H2Db-NPM6T | | Descriptor: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ... | | Authors: | Gras, S, Twist, K.A, Rossjohn, J. | | Deposit date: | 2012-11-04 | | Release date: | 2013-02-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.16 Å) | | Cite: | Preemptive priming readily overcomes structure-based mechanisms of virus escape.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4HWS
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4HW6
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4HZC
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4I1V
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3FCO
 | | Crystal Structure of 11beta-Hydroxysteroid Dehydrogenase 1 (11b-HSD1) in Complex with Benzamide Inhibitor | | Descriptor: | Corticosteroid 11-beta-dehydrogenase isozyme 1, N-cyclopropyl-N-(cis-4-cyclopropyl-4-hydroxycyclohexyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Wang, Z, Sudom, A, Walker, N.P. | | Deposit date: | 2008-11-21 | | Release date: | 2009-12-01 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Optimization of novel di-substituted cyclohexylbenzamide derivatives as potent 11 beta-HSD1 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
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3FBA
 | | Crystal structure of 2C-methyl-D-erythritol 2,4-clycodiphosphate synthase complexed with ligand | | Descriptor: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, GERANYL DIPHOSPHATE, GLYCEROL, ... | | Authors: | Hunter, W.N, Ramsden, N.L. | | Deposit date: | 2008-11-19 | | Release date: | 2009-08-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | A structure-based approach to ligand discovery for 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase: a target for antimicrobial therapy
J.Med.Chem., 52, 2009
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4I5H
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4I71
 | | Crystal structure of the Trypanosoma brucei Inosine-Adenosine-Guanosine nucleoside hydrolase in complex with a trypanocidal compound | | Descriptor: | (2R,3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-2-(hydroxymethyl)pyrrolidine-3,4-diol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | | Authors: | Giannese, F, Degano, M. | | Deposit date: | 2012-11-30 | | Release date: | 2013-08-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Structures of purine nucleosidase from Trypanosoma brucei bound to isozyme-specific trypanocidals and a novel metalorganic inhibitor
Acta Crystallogr.,Sect.D, 69, 2013
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4I7E
 | | Crystal Structure of the Bacillus stearothermophilus Phosphofructokinase Mutant D12A in Complex with PEP | | Descriptor: | 6-phosphofructokinase, PHOSPHOENOLPYRUVATE | | Authors: | Mosser, R, Reddy, M, Bruning, J.B, Sacchettini, J.C, Reinhart, G.D. | | Deposit date: | 2012-11-30 | | Release date: | 2013-07-31 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Redefining the Role of the Quaternary Shift in Bacillus stearothermophilus Phosphofructokinase.
Biochemistry, 52, 2013
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4I8K
 | | Bovine trypsin at 0.85 resolution | | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | | Authors: | Dauter, Z, Liebschner, D, Dauter, M, Brzuszkiewicz, A. | | Deposit date: | 2012-12-03 | | Release date: | 2012-12-19 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (0.85 Å) | | Cite: | On the reproducibility of protein crystal structures: five atomic resolution structures of trypsin.
Acta Crystallogr.,Sect.D, 69, 2013
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4HI8
 | | Structure of integrin-linked kinase ankyrin repeat domain in complex with PINCH1 LIM1 domain collected at high energy, wavelength 0.32800 | | Descriptor: | Integrin-linked protein kinase, LIM and senescent cell antigen-like-containing domain protein 1, PHOSPHATE ION, ... | | Authors: | Stiegler, A.L, Jakoncic, J, Stojanoff, V, Chiswell, B.P, Calderwood, D.A, Boggon, T.J. | | Deposit date: | 2012-10-11 | | Release date: | 2013-12-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.203 Å) | | Cite: | Structure of integrin-linked kinase ankyrin repeat domain in complex with PINCH1 LIM1 domain collected at high energy, wavelength 0.32800
To be Published
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4I94
 | | Structure of BSK8 in complex with AMP-PNP | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Probable serine/threonine-protein kinase At5g41260 | | Authors: | Gruetter, C, Rauh, D. | | Deposit date: | 2012-12-04 | | Release date: | 2013-08-14 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Characterization of the RLCK Family Member BSK8: A Pseudokinase with an Unprecedented Architecture
J.Mol.Biol., 425, 2013
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4HJK
 | | U7Ub7 Disulfide variant | | Descriptor: | PHOSPHATE ION, Ubiquitin | | Authors: | Murray, J.M, Rouge, L. | | Deposit date: | 2012-10-12 | | Release date: | 2012-11-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.784 Å) | | Cite: | Potent and selective inhibitors of USP7/HAUSP activity by protein conformational stabilization
to be published
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4HLE
 | | Compound 21 (1-alkyl-substituted 1,2,4-triazoles) | | Descriptor: | 2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-4,5-dihydrothieno[3,2-d][1]benzoxepine-8-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | | Authors: | Murray, J.M, Rouge, L, Wu, P. | | Deposit date: | 2012-10-16 | | Release date: | 2013-01-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Cis-Amide isosteric replacement in thienobenzoxepin inhibitors of PI3-kinase.
Bioorg.Med.Chem.Lett., 23, 2013
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3FNV
 | | Crystal Structure of Miner1: The Redox-active 2Fe-2S Protein Causative in Wolfram Syndrome 2 | | Descriptor: | CDGSH iron sulfur domain-containing protein 2, FE2/S2 (INORGANIC) CLUSTER | | Authors: | Conlan, A.R, Axelrod, H.L, Cohen, A.E, Abresch, E.C, Yee, D, Zuris, J, Nechushtai, R, Jennings, P.A, Paddock, M.L. | | Deposit date: | 2008-12-26 | | Release date: | 2009-08-18 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of Miner1: The redox-active 2Fe-2S protein causative in Wolfram Syndrome 2.
J.Mol.Biol., 392, 2009
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3EYA
 | | Structural basis for membrane binding and catalytic activation of the peripheral membrane enzyme pyruvate oxidase from Escherichia coli | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Neumann, P, Weidner, A, Pech, A, Stubbs, M.T, Tittmann, K. | | Deposit date: | 2008-10-20 | | Release date: | 2008-11-04 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for membrane binding and catalytic activation of the peripheral membrane enzyme pyruvate oxidase from Escherichia coli.
Proc.Natl.Acad.Sci.USA, 105, 2008
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4HS9
 | | Methanol tolerant mutant of the Proteus mirabilis lipase | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Korman, T.P. | | Deposit date: | 2012-10-29 | | Release date: | 2013-05-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Dieselzymes: development of a stable and methanol tolerant lipase for biodiesel production by directed evolution.
Biotechnol Biofuels, 6, 2013
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4HXN
 | | Brd4 Bromodomain 1 complex with 4-(2-FLUOROPHENYL)-1,3-THIAZOL-2(3H)-ONE inhibitor | | Descriptor: | 4-(2-fluorophenyl)-1,3-thiazol-2(3H)-one, Bromodomain-containing protein 4 | | Authors: | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | | Deposit date: | 2012-11-12 | | Release date: | 2013-04-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013
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4I08
 | | Crystal structure of beta-ketoacyl-acyl carrier protein reductase (FabG) from Vibrio cholerae in complex with NADPH | | Descriptor: | 1,2-ETHANEDIOL, 3-oxoacyl-[acyl-carrier-protein] reductase FabG, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Hou, J, Chruszcz, M, Zheng, H, Osinski, T, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-11-16 | | Release date: | 2012-12-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.063 Å) | | Cite: | Dissecting the Structural Elements for the Activation of beta-Ketoacyl-(Acyl Carrier Protein) Reductase from Vibrio cholerae.
J.Bacteriol., 198, 2015
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4I36
 | | Crystal Structure of the Bacillus stearothermophilus Phosphofructokinase Mutant D12A | | Descriptor: | 6-phosphofructokinase | | Authors: | Mosser, R, Reddy, M, Bruning, J.B, Sacchettini, J.C, Reinhart, G.D. | | Deposit date: | 2012-11-25 | | Release date: | 2013-07-31 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Redefining the Role of the Quaternary Shift in Bacillus stearothermophilus Phosphofructokinase.
Biochemistry, 52, 2013
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4I59
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4I5U
 | | Crystal structure of a fungal chimeric cellobiohydrolase Cel6A | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Chimeric cel6A, ... | | Authors: | Arnold, F.H, Wu, I. | | Deposit date: | 2012-11-29 | | Release date: | 2013-04-03 | | Last modified: | 2017-08-09 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | Engineered thermostable fungal Cel6A and Cel7A cellobiohydrolases hydrolyze cellulose efficiently at elevated temperatures.
Biotechnol.Bioeng., 110, 2013
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