6BH2
 
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6BGV
 | | LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(2-(piperidin-1-yl)ethoxy)methyl)-1l2-pyrrolo[3,2-b]pyridine-7-carboxylic acid (Compound N40) | | Descriptor: | 1,2-ETHANEDIOL, 2-{(S)-(2-chlorophenyl)[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, ... | | Authors: | Horton, J.R, Cheng, X. | | Deposit date: | 2017-10-29 | | Release date: | 2018-03-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.592 Å) | | Cite: | Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
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6BH5
 | | LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(3-(piperidin-1-yl)propoxy)methyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid (Compound N48) | | Descriptor: | 1,2-ETHANEDIOL, 2-{(S)-(2-chlorophenyl)[3-(piperidin-1-yl)propoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, GLYCEROL, ... | | Authors: | Horton, J.R, Cheng, X. | | Deposit date: | 2017-10-29 | | Release date: | 2018-03-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.651 Å) | | Cite: | Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
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6BH1
 | | LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR (S)-2-((2-chlorophenyl)(2-(piperidin-1-yl)ethoxy)methyl)-1l2-pyrrolo[3,2-b]pyridine-7-carboxylic acid (Compound N52) | | Descriptor: | 1,2-ETHANEDIOL, 2-{(S)-(2-chlorophenyl)[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, ... | | Authors: | Horton, J.R, Cheng, X. | | Deposit date: | 2017-10-29 | | Release date: | 2018-03-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.932 Å) | | Cite: | Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
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6BGX
 | | LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)((4,4-difluorocyclohexyl)methoxy)methyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid(Compound N42) | | Descriptor: | 1,2-ETHANEDIOL, 2-{(S)-(2-chlorophenyl)[(4,4-difluorocyclohexyl)methoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, GLYCEROL, ... | | Authors: | Horton, J.R, Cheng, X. | | Deposit date: | 2017-10-29 | | Release date: | 2018-03-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.882 Å) | | Cite: | Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
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6BGY
 | | LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(2-(1-methylpyrrolidin-2-yl)ethoxy)methyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid(Compound 46) | | Descriptor: | 1,2-ETHANEDIOL, 2-[(S)-(2-chlorophenyl){2-[(2R)-1-methylpyrrolidin-2-yl]ethoxy}methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, ... | | Authors: | Horton, J.R, Cheng, X. | | Deposit date: | 2017-10-29 | | Release date: | 2018-03-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
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4RVZ
 | | Crystal structure of tRNA fluorescent labeling enzyme | | Descriptor: | MAGNESIUM ION, N-(4-aminobutyl)-2-azidoacetamide, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | | Authors: | Dong, J, Li, F, Wang, J, Gong, W. | | Deposit date: | 2014-11-29 | | Release date: | 2015-03-11 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | A covalent approach for site-specific RNA labeling in Mammalian cells.
Angew.Chem.Int.Ed.Engl., 54, 2015
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4PGT
 | | CRYSTAL STRUCTURE OF HGSTP1-1[V104] COMPLEXED WITH THE GSH CONJUGATE OF (+)-ANTI-BPDE | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-AMINO-4-[1-(CARBOXYMETHYL-CARBAMOYL)-2-(9-HYDROXY-7,8-DIOXO-7,8,9,10-TETRAHYDRO-BENZO[DEF]CHRYSEN-10-YLSULFANYL)-ETHYLCARBAMOYL]-BUTYRIC ACID, PROTEIN (GLUTATHIONE S-TRANSFERASE), ... | | Authors: | Ji, X, Blaszczyk, J. | | Deposit date: | 1999-03-22 | | Release date: | 1999-09-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure and function of residue 104 and water molecules in the xenobiotic substrate-binding site in human glutathione S-transferase P1-1.
Biochemistry, 38, 1999
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5JCW
 | | Crystal Structure of hGSTP1-1 with Glutathione Adduct of Phenethyl Isothiocyanate | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ... | | Authors: | Kumari, V, Ji, X. | | Deposit date: | 2016-04-15 | | Release date: | 2016-10-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.945 Å) | | Cite: | Irreversible Inhibition of Glutathione S-Transferase by Phenethyl Isothiocyanate (PEITC), a Dietary Cancer Chemopreventive Phytochemical.
Plos One, 11, 2016
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4ZKI
 | | The crystal structure of Histidine Kinase YycG with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Histidine kinase | | Authors: | Cai, Y. | | Deposit date: | 2015-04-30 | | Release date: | 2016-05-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.401 Å) | | Cite: | Conformational dynamics of the essential sensor histidine kinase WalK
Acta Crystallogr D Struct Biol, 73, 2017
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5C93
 | | Histidine kinase with ATP | | Descriptor: | Histidine kinase, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, SULFATE ION | | Authors: | Cai, Y. | | Deposit date: | 2015-06-26 | | Release date: | 2016-07-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.518 Å) | | Cite: | Conformational dynamics of the essential sensor histidine kinase WalK.
Acta Crystallogr D Struct Biol, 73, 2017
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5D4T
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5D4V
 | | HcgC with SAH and a guanylylpyridinol (GP) derivative | | Descriptor: | 5'-O-[(R)-[(3,6-dimethyl-2-oxo-1,2-dihydropyridin-4-yl)oxy](hydroxy)phosphoryl]guanosine, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ... | | Authors: | Fujishiro, T, Ermler, U, Shima, S. | | Deposit date: | 2015-08-09 | | Release date: | 2016-07-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Identification of HcgC as a SAM-Dependent Pyridinol Methyltransferase in [Fe]-Hydrogenase Cofactor Biosynthesis.
Angew.Chem.Int.Ed.Engl., 55, 2016
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5D5T
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5D4U
 | | SAM-bound HcgC from Methanocaldococcus jannaschii | | Descriptor: | S-ADENOSYLMETHIONINE, SULFATE ION, Uncharacterized protein MJ0489 | | Authors: | Fujishiro, T, Ermler, U, Shima, S. | | Deposit date: | 2015-08-09 | | Release date: | 2016-07-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Identification of HcgC as a SAM-Dependent Pyridinol Methyltransferase in [Fe]-Hydrogenase Cofactor Biosynthesis.
Angew.Chem.Int.Ed.Engl., 55, 2016
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5D5O
 | | HcgC from Methanocaldococcus jannaschii | | Descriptor: | SULFATE ION, Uncharacterized protein MJ0489 | | Authors: | Fujishiro, T, Ermler, U, Shima, S. | | Deposit date: | 2015-08-11 | | Release date: | 2016-07-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Identification of HcgC as a SAM-Dependent Pyridinol Methyltransferase in [Fe]-Hydrogenase Cofactor Biosynthesis.
Angew.Chem.Int.Ed.Engl., 55, 2016
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4I5X
 | | Crystal Structure Of AKR1B10 Complexed With NADP+ And Flufenamic acid | | Descriptor: | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Zhang, L, Zheng, X, Chen, S, Zhai, J, Zhang, H, Zhao, Y. | | Deposit date: | 2012-11-29 | | Release date: | 2013-10-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111)
Febs Lett., 587, 2013
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5IFA
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4KYK
 | | Crystal structure of mouse glyoxalase I complexed with indomethacin | | Descriptor: | INDOMETHACIN, Lactoylglutathione lyase, ZINC ION | | Authors: | Zhai, J, Yuan, M, Zhang, L, Chen, Y, Zhang, H, Chen, S, Zhao, Y. | | Deposit date: | 2013-05-29 | | Release date: | 2013-08-07 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Zopolrestat as a human glyoxalase I inhibitor and its structural basis.
Chemmedchem, 8, 2013
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4KYH
 | | Crystal structure of mouse glyoxalase I complexed with zopolrestat | | Descriptor: | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Lactoylglutathione lyase, ZINC ION | | Authors: | Zhai, J, Yuan, M, Zhang, L, Chen, Y, Zhang, H, Chen, S, Zhao, Y. | | Deposit date: | 2013-05-29 | | Release date: | 2013-08-07 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Zopolrestat as a human glyoxalase I inhibitor and its structural basis.
Chemmedchem, 8, 2013
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4R5Y
 | | The complex structure of Braf V600E kinase domain with a novel Braf inhibitor | | Descriptor: | 5-({(1R,1aS,6bR)-1-[5-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl}oxy)-3,4-dihydro-1,8-naphthyridin-2(1H)-one, Serine/threonine-protein kinase B-raf | | Authors: | Feng, Y, Peng, H, Zhang, Y, Liu, Y, Wei, M. | | Deposit date: | 2014-08-22 | | Release date: | 2016-02-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | BGB-283, a Novel RAF Kinase and EGFR Inhibitor, Displays Potent Antitumor Activity in BRAF-Mutated Colorectal Cancers.
Mol.Cancer Ther., 14, 2015
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5YS2
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5YSL
 | | Crystal structure of antibody 1H1 Fab | | Descriptor: | 1H1 heavy chain, 1H1 light chain | | Authors: | Hu, X.L, Yang, F.L. | | Deposit date: | 2017-11-14 | | Release date: | 2017-12-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Two classes of protective antibodies against Pseudorabies virus variant glycoprotein B: Implications for vaccine design.
PLoS Pathog., 13, 2017
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5Z54
 | | Crystal structure of a cyclase Hpiu5 from Fischerella sp. ATCC 43239 in complex with cyclo-L-Arg-D-Pro | | Descriptor: | 12-epi-hapalindole C/U synthase, CALCIUM ION, amino({3-[(3S,8aS)-1,4-dioxooctahydropyrrolo[1,2-a]pyrazin-3-yl]propyl}amino)methaniminium | | Authors: | Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2018-01-17 | | Release date: | 2018-12-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
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5YVK
 | | Crystal structure of a cyclase Famc1 from Fischerella ambigua UTEX 1903 | | Descriptor: | CALCIUM ION, amino({3-[(3S,8aS)-1,4-dioxooctahydropyrrolo[1,2-a]pyrazin-3-yl]propyl}amino)methaniminium, cyclase | | Authors: | Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2017-11-26 | | Release date: | 2018-11-07 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.292 Å) | | Cite: | The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
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