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4GTO
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FTase in complex with BMS analogue 14
分子名称: 4-({(3R)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl trifluoromethanesulfonate, DIMETHYL SULFOXIDE, FARNESYL DIPHOSPHATE, ...
著者Guo, Z, Stigter, E.A, Bon, R.S, Waldmann, H, Blankenfeldt, W, Goody, R.S.
登録日2012-08-29
公開日2012-10-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Development of Selective, Potent RabGGTase Inhibitors
J.Med.Chem., 55, 2012
1PGT
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BU of 1pgt by Molmil
CRYSTAL STRUCTURE OF HUMAN GLUTATHIONE S-TRANSFERASE P1-1[V104] COMPLEXED WITH S-HEXYLGLUTATHIONE
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLUTATHIONE S-TRANSFERASE, S-HEXYLGLUTATHIONE
著者Ji, X.
登録日1997-02-17
公開日1997-09-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure and function of the xenobiotic substrate-binding site and location of a potential non-substrate-binding site in a class pi glutathione S-transferase.
Biochemistry, 36, 1997
4GTM
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BU of 4gtm by Molmil
FTase in complex with BMS analogue 11
分子名称: 4-({(3R)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl hexylcarbamate, DIMETHYL SULFOXIDE, FARNESYL DIPHOSPHATE, ...
著者Guo, Z, Stigter, E.A, Bon, R.S, Waldmann, H, Blankenfeldt, W, Goody, R.S.
登録日2012-08-28
公開日2012-10-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Development of Selective, Potent RabGGTase Inhibitors
J.Med.Chem., 55, 2012
4GTP
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BU of 4gtp by Molmil
FTase in complex with BMS analogue 16
分子名称: 5-{(3R)-3-(4-hydroxybenzyl)-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-yl}furan-2-carbaldehyde, DIMETHYL SULFOXIDE, FARNESYL DIPHOSPHATE, ...
著者Guo, Z, Stigter, E.A, Bon, R.S, Waldmann, H, Blankenfeldt, W, Goody, R.S.
登録日2012-08-29
公開日2012-10-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Development of Selective, Potent RabGGTase Inhibitors
J.Med.Chem., 55, 2012
1GSS
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BU of 1gss by Molmil
THREE-DIMENSIONAL STRUCTURE OF CLASS PI GLUTATHIONE S-TRANSFERASE FROM HUMAN PLACENTA IN COMPLEX WITH S-HEXYLGLUTATHIONE AT 2.8 ANGSTROMS RESOLUTION
分子名称: GLUTATHIONE S-TRANSFERASE, L-gamma-glutamyl-S-hexyl-L-cysteinylglycine
著者Reinemer, P, Dirr, H.W, Ladenstein, R, Lobello, M, Federici, G, Huber, R, Parker, M.W.
登録日1992-05-28
公開日1994-01-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Three-dimensional structure of class pi glutathione S-transferase from human placenta in complex with S-hexylglutathione at 2.8 A resolution.
J.Mol.Biol., 227, 1992
4GTR
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BU of 4gtr by Molmil
FTase in complex with BMS analogue 13
分子名称: 4-({(3R)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl diethylcarbamate, DIMETHYL SULFOXIDE, FARNESYL DIPHOSPHATE, ...
著者Guo, Z, Stigter, E.A, Bon, R.S, Waldmann, H, Blankenfeldt, W, Goody, R.S.
登録日2012-08-29
公開日2012-10-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Development of Selective, Potent RabGGTase Inhibitors
J.Med.Chem., 55, 2012
6ALE
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BU of 6ale by Molmil
A V-to-F substitution in SK2 channels causes Ca2+ hypersensitivity and improves locomotion in a C. elegans ALS model
分子名称: (3E)-6,7-dichloro-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one, CALCIUM ION, Calmodulin-2, ...
著者Nam, Y.W, Zhang, M.
登録日2017-08-07
公開日2018-08-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A V-to-F substitution in SK2 channels causes Ca2+hypersensitivity and improves locomotion in a C. elegans ALS model.
Sci Rep, 8, 2018
2J9H
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BU of 2j9h by Molmil
Crystal structure of human glutathione-S-transferase P1-1 cys-free mutant in complex with S-hexylglutathione at 2.4 A resolution
分子名称: GLUTATHIONE S-TRANSFERASE P, S-HEXYLGLUTATHIONE
著者Tars, K, Hegazy, U.M, Hellman, U, Mannervik, B.
登録日2006-11-08
公開日2006-11-14
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Modulating Catalytic Activity by Unnatural Amino Acid Residues in a Gsh-Binding Loop of Gst P1-1.
J.Mol.Biol., 376, 2008
1KBN
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BU of 1kbn by Molmil
Glutathione transferase mutant
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE, GLYCEROL, ...
著者Rossjohn, J, Parker, M.W.
登録日2001-11-06
公開日2003-11-11
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Glutathione transferase mutant
To be Published
3DD3
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BU of 3dd3 by Molmil
Crystal Structure of the Glutathione Transferase Pi enzyme in complex with the bifunctional inhibitor, Etharapta
分子名称: (eta6-benzene)ruthenium, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE, ...
著者Parker, L.J.
登録日2008-06-05
公開日2009-04-21
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Rational design of an organometallic glutathione transferase inhibitor
Angew.Chem.Int.Ed.Engl., 48, 2009
3CSJ
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BU of 3csj by Molmil
Human glutathione s-transferase p1-1 in complex with chlorambucil
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORAMBUCIL, CHLORIDE ION, ...
著者Parker, L.J.
登録日2008-04-09
公開日2008-07-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The anti-cancer drug chlorambucil as a substrate for the human polymorphic enzyme glutathione transferase P1-1: kinetic properties and crystallographic characterisation of allelic variants.
J.Mol.Biol., 380, 2008
5KCV
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BU of 5kcv by Molmil
Crystal structure of allosteric inhibitor, ARQ 092, in complex with autoinhibited form of AKT1
分子名称: 3-[3-[4-(1-azanylcyclobutyl)phenyl]-5-phenyl-imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine, RAC-alpha serine/threonine-protein kinase
著者Eathiraj, S.
登録日2016-06-07
公開日2016-06-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of 3-(3-(4-(1-Aminocyclobutyl)phenyl)-5-phenyl-3H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine (ARQ 092): An Orally Bioavailable, Selective, and Potent Allosteric AKT Inhibitor.
J.Med.Chem., 59, 2016
2GSS
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BU of 2gss by Molmil
HUMAN GLUTATHIONE S-TRANSFERASE P1-1 IN COMPLEX WITH ETHACRYNIC ACID
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ETHACRYNIC ACID, GLUTATHIONE S-TRANSFERASE P1-1, ...
著者Oakley, A.J, Rossjohn, J, Parker, M.W.
登録日1996-10-29
公開日1997-11-12
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The three-dimensional structure of the human Pi class glutathione transferase P1-1 in complex with the inhibitor ethacrynic acid and its glutathione conjugate.
Biochemistry, 36, 1997
7USZ
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BU of 7usz by Molmil
Human DDAH-1, holo (Zn-bound) form
分子名称: CHLORIDE ION, N(G),N(G)-dimethylarginine dimethylaminohydrolase 1, ZINC ION
著者Smith, C.A, Ghebre, Y.T.
登録日2022-04-26
公開日2022-05-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Esomeprazole covalently interacts with the cardiovascular enzyme dimethylarginine dimethylaminohydrolase: Insights into the cardiovascular risk of proton pump inhibitors.
Biochim Biophys Acta Gen Subj, 1866, 2022
7UT0
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BU of 7ut0 by Molmil
Human DDAH-1, apo form
分子名称: 1,2-ETHANEDIOL, N(G),N(G)-dimethylarginine dimethylaminohydrolase 1
著者Smith, C.A, Ghebre, Y.T.
登録日2022-04-26
公開日2022-05-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Esomeprazole covalently interacts with the cardiovascular enzyme dimethylarginine dimethylaminohydrolase: Insights into the cardiovascular risk of proton pump inhibitors.
Biochim Biophys Acta Gen Subj, 1866, 2022
3DGQ
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BU of 3dgq by Molmil
Crystal structure of the glutathione transferase PI enzyme in complex with the bifunctional inhibitor, etharapta
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者Parker, L.J.
登録日2008-06-15
公開日2009-04-21
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Rational design of an organometallic glutathione transferase inhibitor
Angew.Chem.Int.Ed.Engl., 48, 2009
3GSS
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BU of 3gss by Molmil
HUMAN GLUTATHIONE S-TRANSFERASE P1-1 IN COMPLEX WITH ETHACRYNIC ACID-GLUTATHIONE CONJUGATE
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ETHACRYNIC ACID, GLUTATHIONE, ...
著者Oakley, A.J, Rossjohn, J, Parker, M.W.
登録日1996-10-29
公開日1997-11-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The three-dimensional structure of the human Pi class glutathione transferase P1-1 in complex with the inhibitor ethacrynic acid and its glutathione conjugate.
Biochemistry, 36, 1997
2KQP
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BU of 2kqp by Molmil
NMR Structure of Proinsulin
分子名称: Insulin
著者Yang, Y, Hua, Q.X, Mackin, R.B, Weiss, M.A.
登録日2009-11-12
公開日2010-01-26
最終更新日2021-10-13
実験手法SOLUTION NMR
主引用文献Solution structure of proinsulin: connecting domain flexibility and prohormone processing.
J.Biol.Chem., 285, 2010
6CZQ
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BU of 6czq by Molmil
A V-to-F substitution in SK2 channels causes Ca2+ hypersensitivity and improves locomotion in a C. elegans ALS model
分子名称: CALCIUM ION, Calmodulin-1, SULFATE ION, ...
著者Nam, Y.W, Zhang, M.
登録日2018-04-09
公開日2018-08-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A V-to-F substitution in SK2 channels causes Ca2+hypersensitivity and improves locomotion in a C. elegans ALS model.
Sci Rep, 8, 2018
1MD4
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BU of 1md4 by Molmil
A folding mutant of human class pi glutathione transferase, created by mutating glycine 146 of the wild-type protein to valine
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE, pi glutathione transferase
著者Kong, G.K.-W, Dragani, B, Aceto, A, Cocco, R, Mannervik, B, Stenberg, G, McKinstry, W.J, Polekhina, G, Parker, M.W.
登録日2002-08-06
公開日2002-08-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Contribution of Glycine 146 to a Conserved Folding Module Affecting Stability and Refolding of Human Glutathione Transferase P1-1
J.Biol.Chem., 278, 2003
3GUS
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BU of 3gus by Molmil
Crystal strcture of human Pi class glutathione S-transferase GSTP1-1 in complex with 6-(7-Nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol (NBDHEX)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]hexan-1-ol, GLUTATHIONE, ...
著者Federici, L, Lo Sterzo, C, Di Matteo, A, Scaloni, F, Federici, G, Caccuri, A.M.
登録日2009-03-30
公開日2009-10-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Structural basis for the binding of the anticancer compound 6-(7-nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol to human glutathione s-transferases
Cancer Res., 69, 2009
8XVT
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BU of 8xvt by Molmil
The core subcomplex of human NuA4/TIP60 complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 1, ...
著者Chen, K, Wang, L, Yu, Z, Yu, J, Ren, Y, Wang, Q, Xu, Y.
登録日2024-01-15
公開日2024-07-24
最終更新日2024-07-31
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structure of the human TIP60 complex
To Be Published
4PGT
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BU of 4pgt by Molmil
CRYSTAL STRUCTURE OF HGSTP1-1[V104] COMPLEXED WITH THE GSH CONJUGATE OF (+)-ANTI-BPDE
分子名称: 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), ...
著者Ji, X, Blaszczyk, J.
登録日1999-03-22
公開日1999-09-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
3N9J
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BU of 3n9j by Molmil
Structure of human Glutathione Transferase Pi class in complex with Ethacraplatin
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者Parker, L.J, Parker, M.W.
登録日2010-05-30
公開日2011-05-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Studies of glutathione transferase P1-1 bound to a platinum(IV)-based anticancer compound reveal the molecular basis of its activation.
To be Published
20GS
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BU of 20gs by Molmil
GLUTATHIONE S-TRANSFERASE P1-1 COMPLEXED WITH CIBACRON BLUE
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CIBACRON BLUE, GLUTATHIONE S-TRANSFERASE
著者Oakley, A.J, Lo Bello, M, Nuccetelli, M, Mazzetti, A.P, Parker, M.W.
登録日1997-12-16
公開日1998-12-30
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献The ligandin (non-substrate) binding site of human Pi class glutathione transferase is located in the electrophile binding site (H-site).
J.Mol.Biol., 291, 1999

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