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6UX9
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Crystal Structure Analysis of PIP4K2A
分子名称: N-[4-(5-{(Z)-[(2E)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}pyridin-3-yl)phenyl]methanesulfonamide, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha
著者Seo, H.-S, Dhe-Paganon, S.
登録日2019-11-07
公開日2020-12-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Discovery and Structure-Activity Relationship Study of ( Z )-5-Methylenethiazolidin-4-one Derivatives as Potent and Selective Pan-phosphatidylinositol 5-Phosphate 4-Kinase Inhibitors.
J.Med.Chem., 63, 2020
6BGW
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LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(2-(4,4-difluoropiperidin-1-yl)ethoxy)methyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid(Compound N41)
分子名称: 2-{(S)-(2-chlorophenyl)[2-(4,4-difluoropiperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Horton, J.R, Cheng, X.
登録日2017-10-29
公開日2018-03-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.644 Å)
主引用文献Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
6BH4
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LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 5-(1-(tert-butyl)-1H-pyrazol-4-yl)-6-isopropyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile (Compound N75/CPI-48)
分子名称: 1,2-ETHANEDIOL, 5-(1-tert-butyl-1H-pyrazol-4-yl)-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile, GLYCEROL, ...
著者Horton, J.R, Cheng, X.
登録日2017-10-29
公開日2018-03-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.047 Å)
主引用文献Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
6BH0
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LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR (R)-2-((2-chlorophenyl)(2-(piperidin-1-yl)ethoxy)methyl)-1l2-pyrrolo[3,2-b]pyridine-7-carboxylic acid (Compound N51)
分子名称: 2-{(R)-(2-chlorophenyl)[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, Lysine-specific demethylase 5A, ...
著者Horton, J.R, Cheng, X.
登録日2017-10-29
公開日2018-03-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.985 Å)
主引用文献Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
6BGZ
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LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(2-(1-methyl-1H-imidazol-2-yl)ethoxy)methyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid (Compound N47)
分子名称: 2-{(S)-(2-chlorophenyl)[2-(1-methyl-1H-imidazol-2-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, GLYCEROL, Lysine-specific demethylase 5A, ...
著者Horton, J.R, Cheng, X.
登録日2017-10-29
公開日2018-03-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.688 Å)
主引用文献Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
6BGU
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LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(propoxy)methyl)-1H-pyrrolo[3,2-b]pyridine (Compound N9)
分子名称: 1,2-ETHANEDIOL, 2-[(R)-(2-chlorophenyl)(propoxy)methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, ...
著者Horton, J.R, Cheng, X.
登録日2017-10-29
公開日2018-03-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.684 Å)
主引用文献Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
6BH2
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LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR (R)-N-(1-(3-isopropyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl)cyclopropanecarboxamide (Compound N54)
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Lysine-specific demethylase 5A, ...
著者Horton, J.R, Cheng, X.
登録日2017-10-29
公開日2018-03-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.447 Å)
主引用文献Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
6BH1
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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)
分子名称: 1,2-ETHANEDIOL, 2-{(S)-(2-chlorophenyl)[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, ...
著者Horton, J.R, Cheng, X.
登録日2017-10-29
公開日2018-03-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.932 Å)
主引用文献Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
6BGV
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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)
分子名称: 1,2-ETHANEDIOL, 2-{(S)-(2-chlorophenyl)[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, ...
著者Horton, J.R, Cheng, X.
登録日2017-10-29
公開日2018-03-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.592 Å)
主引用文献Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
6BH5
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BU of 6bh5 by Molmil
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)
分子名称: 1,2-ETHANEDIOL, 2-{(S)-(2-chlorophenyl)[3-(piperidin-1-yl)propoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, GLYCEROL, ...
著者Horton, J.R, Cheng, X.
登録日2017-10-29
公開日2018-03-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.651 Å)
主引用文献Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
6BH3
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LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR (S)-N-(1-(3-isopropyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl)cyclopropanecarboxamide (Compound N55)
分子名称: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Horton, J.R, Cheng, X.
登録日2017-10-29
公開日2018-03-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
6BGY
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BU of 6bgy by Molmil
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)
分子名称: 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, ...
著者Horton, J.R, Cheng, X.
登録日2017-10-29
公開日2018-03-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
6BGX
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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)
分子名称: 1,2-ETHANEDIOL, 2-{(S)-(2-chlorophenyl)[(4,4-difluorocyclohexyl)methoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, GLYCEROL, ...
著者Horton, J.R, Cheng, X.
登録日2017-10-29
公開日2018-03-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.882 Å)
主引用文献Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
8OIX
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BU of 8oix by Molmil
CryoEM structure of 20S Trichomonas vaginalis proteasome in complex with proteasome inhibitor Salinosporamid A
分子名称: (3AR,6R,6AS)-6-((S)-((S)-CYCLOHEX-2-ENYL)(HYDROXY)METHYL)-6A-METHYL-4-OXO-HEXAHYDRO-2H-FURO[3,2-C]PYRROLE-6-CARBALDEHYDE, Family T1, proteasome alpha subunit, ...
著者Silhan, J, Fajtova, P, Boura, E.
登録日2023-03-23
公開日2024-04-10
最終更新日2024-04-17
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献Tv20S proteasome in the complex with marizomib
To Be Published
6QIX
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The crystal structure of Trichuris muris p43
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ...
著者Levy, C.W.
登録日2019-01-21
公開日2019-06-12
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The major secreted protein of the whipworm parasite tethers to matrix and inhibits interleukin-13 function.
Nat Commun, 10, 2019
5W8J
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BU of 5w8j by Molmil
Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 29
分子名称: 2-{3-(3,4-difluorophenyl)-5-hydroxy-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Lukacs, C.M, Moulin, A.
登録日2017-06-21
公開日2018-01-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).
J. Med. Chem., 60, 2017
8P0T
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BU of 8p0t by Molmil
CryoEM structure of 20S Trichomonas vaginalis proteasome in complex with proteasome inhibitor CP-17
分子名称: Family T1, proteasome alpha subunit, threonine peptidase, ...
著者Silhan, J, Boura, E, Fajtova, P.
登録日2023-05-10
公開日2024-05-22
実験手法ELECTRON MICROSCOPY (2.65 Å)
主引用文献Tv20S proteasome in the complex with marizomib
To Be Published
6ZHC
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BU of 6zhc by Molmil
PROTAC6 mediated complex of VHL:EloB:EloC and Bcl-xL
分子名称: 1,2-ETHANEDIOL, 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]-5-[3-[4-[3-[2-[2-[2-[2-[2-[3-[[(2~{S})-3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ynyl]phenoxy]propyl]-1,3-thiazole-4-carboxylic acid, Bcl-2-like protein 1, ...
著者Chung, C.
登録日2020-06-22
公開日2020-08-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Structural Insights into PROTAC-Mediated Degradation of Bcl-xL.
Acs Chem.Biol., 15, 2020
6Q0D
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CRYSTAL STRUCTURE OF LDHA IN COMPLEX WITH COMPOUND NCGC00384414-01 AT 2.05 A RESOLUTION
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-{3-[3-(cyclopentylethynyl)-4-fluorophenyl]-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, GLYCEROL, ...
著者Dranow, D.M, Davies, D.R.
登録日2019-08-01
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Pyrazole-Based Lactate Dehydrogenase Inhibitors with Optimized Cell Activity and Pharmacokinetic Properties.
J.Med.Chem., 63, 2020
6Q13
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CRYSTAL STRUCTURE OF LDHA IN COMPLEX WITH COMPOUND NCGC00420737-09 AT 2.00 A RESOLUTION
分子名称: 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-[5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-3-{3-[(5-methylthiophen-2-yl)ethynyl]phenyl}-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid, ...
著者Davies, D.R, Dranow, D.M.
登録日2019-08-02
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Pyrazole-Based Lactate Dehydrogenase Inhibitors with Optimized Cell Activity and Pharmacokinetic Properties.
J.Med.Chem., 63, 2020
6RLV
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BU of 6rlv by Molmil
Trypanosoma brucei Seryl-tRNA Synthetase in Complex with 5'-O-(N-(L-seryl)-sulfamoyl)N3-methyluridine
分子名称: 5'-O-(N-(L-seryl)-sulfamoyl)N3-methyluridine, GLYCEROL, MALONATE ION, ...
著者Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D.
登録日2019-05-02
公開日2020-01-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases.
Acs Chem.Biol., 15, 2020
6RLU
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BU of 6rlu by Molmil
Trypanosoma brucei Seryl-tRNA Synthetase in Complex with 5'-O-(N-(L-seryl)-sulfamoyl)cytidine
分子名称: 5'-O-(N-(L-seryl)-sulfamoyl)cytidine, GLYCEROL, MALONATE ION, ...
著者Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D.
登録日2019-05-02
公開日2020-01-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases.
Acs Chem.Biol., 15, 2020
3K5K
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BU of 3k5k by Molmil
Discovery of a 2,4-Diamino-7-aminoalkoxy-quinazoline as a Potent Inhibitor of Histone Lysine Methyltransferase, G9a
分子名称: 7-[3-(dimethylamino)propoxy]-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine, CHLORIDE ION, Histone-lysine N-methyltransferase, ...
著者Dong, A, Wasney, G.A, Liu, F, Chen, X, Allali-Hassani, A, Senisterra, G, Chau, I, Bountra, C, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Frye, S.V, Bochkarev, A, Brown, P.J, Jin, J, Vedadi, M, Structural Genomics Consortium (SGC)
登録日2009-10-07
公開日2009-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of a 2,4-diamino-7-aminoalkoxyquinazoline as a potent and selective inhibitor of histone lysine methyltransferase G9a.
J.Med.Chem., 52, 2009
6RLT
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BU of 6rlt by Molmil
Trypanosoma brucei Seryl-tRNA Synthetase in Complex with 5'-O-(N-(L-seryl)-Sulfamoyl)uridine
分子名称: 5'-O-(N-(L-seryl)-Sulfamoyl)uridine, GLYCEROL, MALONATE ION, ...
著者Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D.
登録日2019-05-02
公開日2020-01-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases.
Acs Chem.Biol., 15, 2020
6S30
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Crystal Structure of Seryl-tRNA Synthetase from Klebsiella pneumoniae
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Serine--tRNA ligase
著者Pang, L, De Graef, S, Weeks, S.D, Strelkov, S.V.
登録日2019-06-23
公開日2020-01-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases.
Acs Chem.Biol., 15, 2020

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