2VHA
| DEBP | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLUTAMIC ACID, PERIPLASMIC BINDING TRANSPORT PROTEIN | Authors: | Hu, Y.L, Fan, C.-P, Fu, G.S, Zhu, D.Y, Jin, Q, Wang, D.-C. | Deposit date: | 2007-11-20 | Release date: | 2008-07-08 | Last modified: | 2019-05-22 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Crystal Structure of a Glutamate/Aspartate Binding Protein Complexed with a Glutamate Molecule: Structural Basis of Ligand Specificity at Atomic Resolution. J.Mol.Biol., 382, 2008
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8JBZ
| Crystal structure of 3-ketosteroid delta1-dehydrogenase from Rhodococcus erythropolis SQ1 in complex with 4-androstadiene-3,17- dione | Descriptor: | 3-ketosteroid dehydrogenase, 4-ANDROSTENE-3-17-DIONE, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Hu, Y.L, Li, X, Cheng, X.Y, Song, S.K, Su, Z.D. | Deposit date: | 2023-05-10 | Release date: | 2023-05-31 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.079 Å) | Cite: | Crystal structure of 3-ketosteroid delta1-dehydrogenase from Rhodococcus erythropolis SQ1 in complex with 4-androstadiene-3,17- dione To Be Published
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8JOJ
| Crystal structure of 3-ketosteroid delta1-dehydrogenase from Rhodococcus erythropolis SQ1 in complex with 9,11-epoxy-17-hydroxypregn-4-ene-3,20-dione actate | Descriptor: | 3-ketosteroid dehydrogenase, 9,11-epoxy-17-hydroxypregn-4-ene-3,20-dione actate, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Hu, Y.L, Li, X, Cheng, X.Y, Song, S.K, Su, Z.D. | Deposit date: | 2023-06-07 | Release date: | 2023-07-12 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.819 Å) | Cite: | Crystal structure of 3-ketosteroid delta1-dehydrogenase from Rhodococcus erythropolis SQ1 in complex with 9,11-epoxy-17-hydroxypregn-4-ene-3,20-dione actate To Be Published
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8JU4
| Crystal structure of 3-ketosteroid delta1-dehydrogenase from Rhodococcus erythropolis SQ1 in complex with 1,4-androstadiene-3,17- dione | Descriptor: | 3-ketosteroid dehydrogenase, ANDROSTA-1,4-DIENE-3,17-DIONE, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Hu, Y.L, Li, X, Cheng, X.Y, Song, S.K, Su, Z.D. | Deposit date: | 2023-06-24 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of 3-ketosteroid delta1-dehydrogenase from Rhodococcus erythropolis SQ1 in complex with 1,4-androstadiene-3,17- dione To Be Published
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2ZJT
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3GAS
| Crystal Structure of Helicobacter pylori Heme Oxygenase Hugz in Complex with Heme | Descriptor: | 1,2-ETHANEDIOL, AZIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Jiang, F, Hu, Y.L, Guo, Y, Guo, G, Zou, Q.M, Wang, D.C. | Deposit date: | 2009-02-18 | Release date: | 2010-02-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of Helicobacter pylori Heme Oxygenase Hugz in Complex with Heme To be Published
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1B25
| FORMALDEHYDE FERREDOXIN OXIDOREDUCTASE FROM PYROCOCCUS FURIOSUS | Descriptor: | IRON/SULFUR CLUSTER, PROTEIN (FORMALDEHYDE FERREDOXIN OXIDOREDUCTASE), TUNGSTOPTERIN | Authors: | Hu, Y.L, Faham, S, Roy, R, Adams, M.W.W, Rees, D.C. | Deposit date: | 1998-12-04 | Release date: | 1999-03-24 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Formaldehyde ferredoxin oxidoreductase from Pyrococcus furiosus: the 1.85 A resolution crystal structure and its mechanistic implications. J.Mol.Biol., 286, 1999
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1B4N
| FORMALDEHYDE FERREDOXIN OXIDOREDUCTASE FROM PYROCOCCUS FURIOSUS, COMPLEXED WITH GLUTARATE | Descriptor: | CALCIUM ION, FORMALDEHYDE FERREDOXIN OXIDOREDUCTASE, GLUTARIC ACID, ... | Authors: | Hu, Y.L, Faham, S, Roy, R, Adams, M.W.W, Rees, D.C. | Deposit date: | 1998-12-24 | Release date: | 1999-05-18 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Formaldehyde ferredoxin oxidoreductase from Pyrococcus furiosus: the 1.85 A resolution crystal structure and its mechanistic implications. J.Mol.Biol., 286, 1999
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4TQK
| Structural basis of specific recognition of non-reducing terminal N-acetylglucosamine by an Agrocybe aegerita lection | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Lectin 2 | Authors: | Hu, Y.L, Ren, X.M, Li, D.F, Jiang, S, Lan, X.Q, Sun, H, Wang, D.C. | Deposit date: | 2014-06-11 | Release date: | 2015-06-03 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Basis of Specific Recognition of Non-Reducing Terminal N-Acetylglucosamine by an Agrocybe aegerita Lectin. Plos One, 10, 2015
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4TQJ
| Structural basis of specific recognition of non-reducing terminal N-acetylglucosamine by an Agrocybe aegerita lection | Descriptor: | Lectin 2 | Authors: | Hu, Y.L, Ren, X.M, Li, D.F, Jiang, S, Lan, X.Q, Sun, H, Wang, D.C. | Deposit date: | 2014-06-11 | Release date: | 2015-06-03 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis of Specific Recognition of Non-Reducing Terminal N-Acetylglucosamine by an Agrocybe aegerita Lectin. Plos One, 10, 2015
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4TQM
| Structural basis of specific recognition of non-reducing terminal N-acetylglucosamine by an Agrocybe aegerita lection | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lectin 2 | Authors: | Hu, Y.L, Ren, X.M, Li, D.F, Jiang, S, Lan, X.Q, Sun, H, Wang, D.C. | Deposit date: | 2014-06-11 | Release date: | 2015-06-03 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis of Specific Recognition of Non-Reducing Terminal N-Acetylglucosamine by an Agrocybe aegerita Lectin. Plos One, 10, 2015
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8KCZ
| Crystal structure of 3-ketosteroid delta1-dehydrogenase from Rhodococcus erythropolis SQ1 in complex with 1,4-androstadiene-3,17- dione | Descriptor: | 3-ketosteroid dehydrogenase, ANDROSTA-1,4-DIENE-3,17-DIONE, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Hu, Y.L, Li, X, Cheng, X.Y, Song, S.K, Su, Z.D. | Deposit date: | 2023-08-08 | Release date: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of 3-ketosteroid delta1-dehydrogenase from Rhodococcus erythropolis SQ1 in complex with 1,4-androstadiene-3,17- dione To Be Published
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4WWP
| Crystal structure of human PI3K-gamma in complex with pyridinylquinoline inhibitor N-{(1S)-1-[8-chloro-2-(2-methylpyridin-3-yl)quinolin-3-yl]ethyl}-9H-purin-6-amine | Descriptor: | GLYCEROL, N-{(1S)-1-[8-chloro-2-(2-methylpyridin-3-yl)quinolin-3-yl]ethyl}-9H-purin-6-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, ... | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | Deposit date: | 2014-11-11 | Release date: | 2014-12-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery and in Vivo Evaluation of (S)-N-(1-(7-Fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine (AMG319) and Related PI3K delta Inhibitors for Inflammation and Autoimmune Disease. J.Med.Chem., 58, 2015
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4WWN
| Crystal structure of human PI3K-gamma in complex with (S)-N-(1-(7-fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine AMG319 inhibitor | Descriptor: | N-{(1S)-1-[7-fluoro-2-(pyridin-2-yl)quinolin-3-yl]ethyl}-9H-purin-6-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | Deposit date: | 2014-11-11 | Release date: | 2014-12-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery and in Vivo Evaluation of (S)-N-(1-(7-Fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine (AMG319) and Related PI3K delta Inhibitors for Inflammation and Autoimmune Disease. J.Med.Chem., 58, 2015
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4WWO
| Crystal structure of human PI3K-gamma in complex with phenylquinoline inhibitor N-{(1S)-1-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl}-9H-purin-6-amine | Descriptor: | N-{(1S)-1-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl}-9H-purin-6-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | Deposit date: | 2014-11-11 | Release date: | 2014-12-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery and in Vivo Evaluation of (S)-N-(1-(7-Fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine (AMG319) and Related PI3K delta Inhibitors for Inflammation and Autoimmune Disease. J.Med.Chem., 58, 2015
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5EDS
| Crystal structure of human PI3K-gamma in complex with benzimidazole inhibitor 5 | Descriptor: | 4-azanyl-6-[[(1~{S})-1-[6-fluoranyl-1-(3-methylsulfonylphenyl)benzimidazol-2-yl]ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | Deposit date: | 2015-10-21 | Release date: | 2015-12-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery, Optimization, and in Vivo Evaluation of Benzimidazole Derivatives AM-8508 and AM-9635 as Potent and Selective PI3K delta Inhibitors. J.Med.Chem., 59, 2016
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3VYO
| Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase LdtMt2 N140 truncation mutant (resideus 140-408) | Descriptor: | Probable conserved lipoprotein LPPS | Authors: | Li, W.J, Li, D.F, Bi, L.J, Wang, D.C. | Deposit date: | 2012-09-30 | Release date: | 2013-06-19 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of L,D-transpeptidase LdtMt2 in complex with meropenem reveals the mechanism of carbapenem against Mycobacterium tuberculosis Cell Res., 23, 2013
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3VYN
| Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase LdtMt2 N55 truncation mutant (resideus 55-408) | Descriptor: | Probable conserved lipoprotein LPPS | Authors: | Li, W.J, Li, D.F, Bi, L.J, Wang, D.C. | Deposit date: | 2012-09-30 | Release date: | 2013-06-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of L,D-transpeptidase LdtMt2 in complex with meropenem reveals the mechanism of carbapenem against Mycobacterium tuberculosis Cell Res., 23, 2013
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3VYP
| Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase LdtMt2-N140 adduct with meropenem | Descriptor: | (2S,3R,4S)-4-{[(3S,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, GLYCEROL, Probable conserved lipoprotein LPPS | Authors: | Li, W.J, Li, D.F, Bi, L.J, Wang, D.C. | Deposit date: | 2012-09-30 | Release date: | 2013-06-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of L,D-transpeptidase LdtMt2 in complex with meropenem reveals the mechanism of carbapenem against Mycobacterium tuberculosis Cell Res., 23, 2013
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4FJZ
| Crystal structure of PI3K-gamma in complex with pyrrolo-pyridine inhibitor 63 | Descriptor: | 1'-[7-fluoro-3-methyl-2-(pyridin-2-yl)quinolin-4-yl]-6'-(morpholin-4-yl)-1',2,2',3,5,6-hexahydrospiro[pyran-4,3'-pyrrolo[3,2-b]pyridine], Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | Deposit date: | 2012-06-12 | Release date: | 2012-10-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Discovery and in Vivo Evaluation of Dual PI3K-beta/delta inhibitors J.Med.Chem., 55, 2012
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4FJY
| Crystal structure of PI3K-gamma in complex with quinoline-indoline inhibitor 24f | Descriptor: | 4-[3,3-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1H-indol-1-yl]-7-fluoro-3-methyl-2-(pyridin-3-yl)quinoline, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | Deposit date: | 2012-06-12 | Release date: | 2012-10-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery and in Vivo Evaluation of Dual PI3K-beta/delta inhibitors J.Med.Chem., 55, 2012
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7BRS
| E.coli beta-galactosidase (E537Q) in complex with fluorescent probe KSA02 | Descriptor: | 8-[2-[(E)-2-[4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]ethenyl]-3,3-dimethyl-indol-1-ium-1-yl]octanoic acid, Beta-galactosidase, DIMETHYL SULFOXIDE, ... | Authors: | Chen, X, Hu, Y.L, Gao, Y, Yuan, R, Guo, Y. | Deposit date: | 2020-03-30 | Release date: | 2021-03-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Two-Dimensional Design Strategy to Construct Smart Fluorescent Probes for the Precise Tracking of Senescence. Angew.Chem.Int.Ed.Engl., 60, 2021
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6KUZ
| E.coli beta-galactosidase (E537Q) in complex with fluorescent probe KSL01 | Descriptor: | 3-(1,3-benzothiazol-2-yl)-2-[[4-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]methoxy]-5-methyl-benzaldehyde, Beta-galactosidase, DIMETHYL SULFOXIDE, ... | Authors: | Chen, X, Hu, Y.L, Li, X.K, Guo, Y, Li, J. | Deposit date: | 2019-09-03 | Release date: | 2020-07-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | First-generation species-selective chemical probes for fluorescence imaging of human senescence-associated beta-galactosidase. Chem Sci, 11, 2020
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7BTK
| E.coli beta-galactosidase (E537Q) in complex with fluorescent probe KSA01 | Descriptor: | 4-[[2-[(E)-2-[4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]ethenyl]-3,3-dimethyl-2H-indol-1-yl]methyl]benzoic acid, Beta-galactosidase, DIMETHYL SULFOXIDE, ... | Authors: | Chen, X, Hu, Y.L, Liu, Q.M, Gao, Y, Yuan, R, Guo, Y. | Deposit date: | 2020-04-01 | Release date: | 2021-03-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Two-Dimensional Design Strategy to Construct Smart Fluorescent Probes for the Precise Tracking of Senescence. Angew.Chem.Int.Ed.Engl., 60, 2021
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8KC6
| X-ray structure of 3-alpha-(Or 20-beta)-hydroxysteroid dehydrogenase | Descriptor: | 3-alpha-(Or 20-beta)-hydroxysteroid dehydrogenase | Authors: | Song, S.K, Lv, D.Q, Cheng, X.Y, Ma, Q.Q, Hu, Y.L, Su, Z.D. | Deposit date: | 2023-08-06 | Release date: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | X-ray structure of 3-alpha-(Or 20-beta)-hydroxysteroid dehydrogenase To Be Published
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