3RX4
| Crystal Structure of Human Aldose Reductase complexed with Sulindac Sulfide | Descriptor: | 2-[(3Z)-6-fluoranyl-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]ethanoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Zheng, X, Chen, J, Luo, H, Hu, X. | Deposit date: | 2011-05-10 | Release date: | 2011-11-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The molecular basis for inhibition of sulindac and its metabolites towards human aldose reductase. Febs Lett., 586, 2012
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3RX2
| Crystal Structure of Human Aldose Reductase Complexed with Sulindac Sulfone | Descriptor: | 2-[(3Z)-6-fluoranyl-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]ethanoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Zheng, X, Chen, J, Luo, H, Hu, X. | Deposit date: | 2011-05-10 | Release date: | 2011-11-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The molecular basis for inhibition of sulindac and its metabolites towards human aldose reductase Febs Lett., 586, 2012
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3RX3
| Crystal Structure of Human Aldose Reductase Complexed with Sulindac | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [(1Z)-5-fluoro-2-methyl-1-{4-[methylsulfinyl]benzylidene}-1H-inden-3-yl]acetic acid | Authors: | Zheng, X, Chen, J, Luo, H, Hu, X. | Deposit date: | 2011-05-10 | Release date: | 2011-11-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The molecular basis for inhibition of sulindac and its metabolites towards human aldose reductase. Febs Lett., 586, 2012
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3I4P
| Crystal structure of AsnC family transcriptional regulator from Agrobacterium tumefaciens | Descriptor: | ACETATE ION, CALCIUM ION, CHLORIDE ION, ... | Authors: | Cymborowski, M, Chruszcz, M, Luo, H, Xu, X, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2009-07-02 | Release date: | 2009-07-28 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of AsnC family transcriptional regulator from Agrobacterium tumefaciens To be Published
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7E56
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4CSB
| Structure of the Virulence-Associated Protein VapD from the intracellular pathogen Rhodococcus equi. | Descriptor: | VIRULENCE ASSOCIATED PROTEIN VAPD, octyl beta-D-glucopyranoside | Authors: | Whittingham, J.L, Blagova, E.V, Finn, C.E, Luo, H, Miranda-CasoLuengo, R, Turkenburg, J.P, Leech, A.P, Walton, P.H, Meijers, W.G, Wilkinson, A.J. | Deposit date: | 2014-03-06 | Release date: | 2014-04-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of the Virulence-Associated Protein Vapd from the Intracellular Pathogen Rhodococcus Equi. Acta Crystallogr.,Sect.D, 70, 2014
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3S3G
| Crystal Structure of Human Aldose Reductase Complexed with Tolmetin | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Tolmetin | Authors: | Zheng, X, Chen, J, Luo, H, Hu, X. | Deposit date: | 2011-05-18 | Release date: | 2012-04-04 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The molecular basis for inhibition of sulindac and its metabolites towards human aldose reductase. Febs Lett., 586, 2012
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6KVH
| The mutant crystal structure of endo-polygalacturonase (T284A) from Talaromyces leycettanus JCM 12802 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose, endo-polygalacturonase | Authors: | Tu, T, Wang, Z, Luo, H, Yao, B. | Deposit date: | 2019-09-04 | Release date: | 2020-09-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structural Insights into the Mechanisms Underlying the Kinetic Stability of GH28 Endo-Polygalacturonase. J.Agric.Food Chem., 69, 2021
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6VBI
| crystal structure of PDE5 in complex with a non-competitive inhibitor | Descriptor: | (13bS)-4,9-dimethoxy-14-methyl-8,13,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one, cGMP-specific 3',5'-cyclic phosphodiesterase | Authors: | Ke, H, Luo, H.B. | Deposit date: | 2019-12-18 | Release date: | 2021-01-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.30000758 Å) | Cite: | Identification of a novel allosteric pocket and its regulation mechanism To Be Published
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6W4Q
| Crystal structure of full-length tailspike protein 2 (TSP2, ORF211) ) from Escherichia coli O157:H7 bacteriophage CAB120 | Descriptor: | 1,2-ETHANEDIOL, CARBONATE ION, CHLORIDE ION, ... | Authors: | Greenfield, J, Herzberg, O. | Deposit date: | 2020-03-11 | Release date: | 2021-01-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure and function of bacteriophage CBA120 ORF211 (TSP2), the determinant of phage specificity towards E. coli O157:H7. Sci Rep, 10, 2020
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5OFJ
| Crystal structure of N-terminal domain of bifunctional CbXyn10C | Descriptor: | 1,2-ETHANEDIOL, CITRATE ANION, Glycoside hydrolase family 48 | Authors: | Hakulinen, N, Penttinen, L, Rouvinen, J. | Deposit date: | 2017-07-11 | Release date: | 2017-10-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Insights into the roles of non-catalytic residues in the active site of a GH10 xylanase with activity on cellulose. J. Biol. Chem., 292, 2017
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5OFL
| Crystal structure of CbXyn10C variant E140Q/E248Q complexed with cellohexaose | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Glycoside hydrolase family 48, SULFATE ION, ... | Authors: | Hakulinen, N, Penttinen, L, Rouvinen, J. | Deposit date: | 2017-07-11 | Release date: | 2017-10-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.871 Å) | Cite: | Insights into the roles of non-catalytic residues in the active site of a GH10 xylanase with activity on cellulose. J. Biol. Chem., 292, 2017
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5OFK
| Crystal structure of CbXyn10C variant E140Q/E248Q complexed with xyloheptaose | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Glycoside hydrolase family 48, PIPERAZINE-N,N'-BIS(2-ETHANESULFONIC ACID), ... | Authors: | Hakulinen, N, Penttinen, L, Rouvinen, J, Tu, T. | Deposit date: | 2017-07-11 | Release date: | 2017-10-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Insights into the roles of non-catalytic residues in the active site of a GH10 xylanase with activity on cellulose. J. Biol. Chem., 292, 2017
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8RPO
| BFL1 in complex with a reversible covalent ligand | Descriptor: | (~{E})-2-cyano-3-(2-dimethylphosphorylphenyl)-~{N}-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]prop-2-enamide, Bcl-2-related protein A1 | Authors: | Hargreaves, D. | Deposit date: | 2024-01-16 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (1.791 Å) | Cite: | Identification and Evaluation of Reversible Covalent Binders to Cys55 of Bfl-1 from a DNA-Encoded Chemical Library Screen. Acs Med.Chem.Lett., 15, 2024
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6NW9
| CRYSTAL STRUCTURE OF A TAILSPIKE PROTEIN 3 (TSP3, ORF212) FROM ESCHERICHIA COLI O157:H7 BACTERIOPHAGE CBA120 | Descriptor: | 1,2-ETHANEDIOL, CARBONATE ION, CHLORIDE ION, ... | Authors: | Greenfield, J.Y, Herzberg, O. | Deposit date: | 2019-02-06 | Release date: | 2019-06-05 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure and tailspike glycosidase machinery of ORF212 from E. coli O157:H7 phage CBA120 (TSP3). Sci Rep, 9, 2019
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3ICC
| Crystal structure of a putative 3-oxoacyl-(acyl carrier protein) reductase from Bacillus anthracis at 1.87 A resolution | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Hou, J, Chruszcz, M, Zheng, H, Cymborowski, M, Luo, H.-B, Skarina, T, Gordon, S, Savchenko, A, Edwards, A.M, Anderson, W, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-07-17 | Release date: | 2009-07-28 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structure of a short-chain dehydrogenase/reductase from Bacillus anthracis. Acta Crystallogr.,Sect.F, 68, 2012
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4MD6
| Crystal structure of PDE5 in complex with inhibitor 5R | Descriptor: | 3-(4-hydroxybenzyl)-1-(thiophen-2-yl)chromeno[2,3-c]pyrrol-9(2H)-one, MAGNESIUM ION, SULFATE ION, ... | Authors: | Cui, W, Huang, M, Shao, Y, Luo, H. | Deposit date: | 2013-08-22 | Release date: | 2014-07-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of 3-(4-hydroxybenzyl)-1-(thiophen-2-yl)chromeno[2,3-c]pyrrol-9(2H)-one as a phosphodiesterase-5 inhibitor and its complex crystal structure. Biochem Pharmacol, 89, 2014
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5D4Y
| A psychrophilic glycoside hydrolase family 10 endo-beta-1,4-xylanase | Descriptor: | beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, xylanase | Authors: | Zheng, Y, Guo, R.T. | Deposit date: | 2015-08-10 | Release date: | 2016-02-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural insight into potential cold adaptation mechanism through a psychrophilic glycoside hydrolase family 10 endo-beta-1,4-xylanase. J.Struct.Biol., 193, 2016
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5GUJ
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8AHH
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8AHG
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8AHE
| PAC-FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery | Descriptor: | SULFATE ION, UDP-N-acetylglucosamine 2-epimerase, ~{N},5-dimethyl-1-phenyl-pyrazole-4-sulfonamide | Authors: | Baker, L.M, Murray, J.B, Hubbard, R.E. | Deposit date: | 2022-07-21 | Release date: | 2022-09-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.108 Å) | Cite: | PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery. Rsc Med Chem, 13, 2022
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8AHF
| PAC-FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery | Descriptor: | (2~{R},4~{S})-4-[bis(fluoranyl)methoxy]-~{N}-methyl-1-(2~{H}-pyrazolo[4,3-b]pyridin-6-ylcarbonyl)pyrrolidine-2-carboxamide, SULFATE ION, UDP-N-acetylglucosamine 2-epimerase | Authors: | Baker, L.M, Murray, J.B, Hubbard, R.E. | Deposit date: | 2022-07-21 | Release date: | 2022-09-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.271 Å) | Cite: | PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery. Rsc Med Chem, 13, 2022
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8AHI
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5AY7
| A psychrophilic glycoside hydrolase family 10 endo-beta-1,4-xylanase | Descriptor: | xylanase | Authors: | Zheng, Y, Li, Y, Liu, W, Guo, R.T. | Deposit date: | 2015-08-10 | Release date: | 2016-02-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural insight into potential cold adaptation mechanism through a psychrophilic glycoside hydrolase family 10 endo-beta-1,4-xylanase. J.Struct.Biol., 193, 2016
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