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5UHV
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BU of 5uhv by Molmil
wild-type NRas bound to GppNHp
分子名称: GLYCEROL, GTPase NRas, MAGNESIUM ION, ...
著者Reid, D, Johnson, C, Salter, S, Mattos, C.
登録日2017-01-12
公開日2017-06-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.672 Å)
主引用文献The small GTPases K-Ras, N-Ras, and H-Ras have distinct biochemical properties determined by allosteric effects.
J. Biol. Chem., 292, 2017
8AYV
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BU of 8ayv by Molmil
Crystal structure of the Malonyl-ACP Decarboxylase MadB from Pseudomonas putida
分子名称: YiiD_C domain-containing protein
著者Zahn, M, Kuatsjah, E, Beckham, G.T, McGeehan, J.E.
登録日2022-09-03
公開日2023-03-01
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.044 Å)
主引用文献Initiation of fatty acid biosynthesis in Pseudomonas putida KT2440.
Metab Eng, 76, 2023
7UPJ
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BU of 7upj by Molmil
HIV-1 PROTEASE/U101935 COMPLEX
分子名称: HIV-1 PROTEASE, N-(3-CYCLOPROPYL(5,6,7,8,9,10-HEXAHYDRO-2-OXO-2H-CYCLOOCTA[B]PYRAN-3-YL)METHYL)PHENYLBENZENSULFONAMIDE
著者Watenpaugh, K.D, Janakiraman, M.N.
登録日1996-12-05
公開日1997-04-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based design of nonpeptidic HIV protease inhibitors: the sulfonamide-substituted cyclooctylpyramones.
J.Med.Chem., 40, 1997
6YCH
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BU of 6ych by Molmil
Crystal structure of GcoA T296A bound to guaiacol
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Aromatic O-demethylase, cytochrome P450 subunit, ...
著者Mallinson, S.J.B, Hinchen, D.J, Ellis, E.S, DuBois, J.L, Beckham, G.T, McGeehan, J.E.
登録日2020-03-18
公開日2021-02-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
6YCK
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BU of 6yck by Molmil
Crystal structure of GcoA T296A bound to p-vanillin
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-hydroxy-3-methoxybenzaldehyde, Aromatic O-demethylase, ...
著者Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E.
登録日2020-03-18
公開日2021-02-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
6YCL
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BU of 6ycl by Molmil
Crystal structure of GcoA T296G bound to p-vanillin
分子名称: 4-hydroxy-3-methoxybenzaldehyde, Aromatic O-demethylase, cytochrome P450 subunit, ...
著者Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E.
登録日2020-03-18
公開日2021-02-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
6YCO
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BU of 6yco by Molmil
Crystal structure of GcoA F169S bound to o-vanillin
分子名称: 2-(hydroxymethyl)-6-methoxy-phenol, Aromatic O-demethylase, cytochrome P450 subunit, ...
著者Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E.
登録日2020-03-18
公開日2021-02-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
6YCP
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BU of 6ycp by Molmil
Crystal structure of GcoA F169V bound to o-vanillin
分子名称: 2-(hydroxymethyl)-6-methoxy-phenol, Aromatic O-demethylase, cytochrome P450 subunit, ...
著者Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E.
登録日2020-03-18
公開日2021-02-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
6YCJ
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BU of 6ycj by Molmil
Crystal structure of GcoA T296S bound to guaiacol
分子名称: Aromatic O-demethylase, cytochrome P450 subunit, Guaiacol, ...
著者Mallinson, S.J.B, Hinchen, D.J, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E.
登録日2020-03-18
公開日2021-02-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
6YCT
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BU of 6yct by Molmil
Crystal structure of GcoA F169A_T296S bound to p-vanillin
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-hydroxy-3-methoxybenzaldehyde, Cytochrome P450, ...
著者Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E.
登録日2020-03-19
公開日2021-02-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
6YCN
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BU of 6ycn by Molmil
Crystal structure of GcoA F169A bound to o-vanillin
分子名称: 2-(hydroxymethyl)-6-methoxy-phenol, Aromatic O-demethylase, cytochrome P450 subunit, ...
著者Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E.
登録日2020-03-18
公開日2021-02-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
6YCM
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BU of 6ycm by Molmil
Crystal structure of GcoA T296S bound to p-vanillin
分子名称: 4-hydroxy-3-methoxybenzaldehyde, Aromatic O-demethylase, cytochrome P450 subunit, ...
著者Mallinson, S.J.B, Hinchen, D.J, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E.
登録日2020-03-18
公開日2021-02-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
6YCI
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BU of 6yci by Molmil
Crystal structure of GcoA T296G bound to guaiacol
分子名称: Aromatic O-demethylase, cytochrome P450 subunit, Guaiacol, ...
著者Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E.
登録日2020-03-18
公開日2021-02-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
6WS4
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BU of 6ws4 by Molmil
Crystal structure of KRAS-G12D/K104Q mutant, GDP-bound
分子名称: 3,3',3''-phosphanetriyltripropanoic acid, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Tran, T.H, Simanshu, D.K.
登録日2020-04-30
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Allosteric regulation of switch-II domain controls KRAS oncogenicity.
Cancer Res., 2023
6WS2
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BU of 6ws2 by Molmil
Crystal structure of KRAS-K104Q mutant, GDP-bound
分子名称: CHLORIDE ION, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Tran, T.H, Simanshu, D.K.
登録日2020-04-30
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Allosteric regulation of switch-II domain controls KRAS oncogenicity.
Cancer Res., 2023
7ON9
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BU of 7on9 by Molmil
Crystal structure of para-hydroxybenzoate-3-hydroxylase PraI
分子名称: 4-hydroxybenzoate 3-monooxygenase (NAD(P)H), FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOIC ACID
著者Zahn, M, McGeehan, J.E.
登録日2021-05-25
公開日2022-01-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Debottlenecking 4-hydroxybenzoate hydroxylation in Pseudomonas putida KT2440 improves muconate productivity from p-coumarate.
Metab Eng, 70, 2022
8AIS
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BU of 8ais by Molmil
Crystal structure of cutinase PsCut from Pseudomonas saudimassiliensis
分子名称: ACETATE ION, Lipase 1
著者Zahn, M, Allen, M.D, Pickford, A.R, McGeehan, J.E.
登録日2022-07-27
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Concentration-Dependent Inhibition of Mesophilic PETases on Poly(ethylene terephthalate) Can Be Eliminated by Enzyme Engineering.
ChemSusChem, 16, 2023
8AIT
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BU of 8ait by Molmil
Crystal structure of cutinase PbauzCut from Pseudomonas bauzanensis
分子名称: Cutinase, SULFATE ION
著者Zahn, M, Allen, M.D, Pickford, A.R, McGeehan, J.E.
登録日2022-07-27
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Concentration-Dependent Inhibition of Mesophilic PETases on Poly(ethylene terephthalate) Can Be Eliminated by Enzyme Engineering.
ChemSusChem, 16, 2023
8AIR
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BU of 8air by Molmil
Crystal structure of cutinase RgCutII from Rhizobacter gummiphilus
分子名称: ACETATE ION, RgCutII
著者Zahn, M, Allen, M.D, Pickford, A.R, McGeehan, J.E.
登録日2022-07-27
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Concentration-Dependent Inhibition of Mesophilic PETases on Poly(ethylene terephthalate) Can Be Eliminated by Enzyme Engineering.
ChemSusChem, 16, 2023
6BOF
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BU of 6bof by Molmil
Crystal structure of KRAS A146T-GDP demonstrating open switch 1 conformation
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE
著者Bera, A.K, Yan, W, Westover, K.D.
登録日2017-11-20
公開日2019-05-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.401 Å)
主引用文献Tissue-Specific Oncogenic Activity of KRASA146T.
Cancer Discov, 9, 2019
1HPO
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BU of 1hpo by Molmil
HIV-1 PROTEASE TRIPLE MUTANT/U103265 COMPLEX
分子名称: 4-CYANO-N-(3-CYCLOPROPYL(5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-2-OXO-CYCLOOCTA[B]PYRAN-3-YL)METHYL)PHENYL BENZENSULFONAMIDE, HIV-1 PROTEASE
著者Watenpaugh, K.D, Janakiraman, M.N.
登録日1996-12-10
公開日1997-04-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-based design of nonpeptidic HIV protease inhibitors: the sulfonamide-substituted cyclooctylpyramones.
J.Med.Chem., 40, 1997
8STN
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BU of 8stn by Molmil
Crystal structure of KRAS-G12D/G75A mutant, GDP-bound
分子名称: CHLORIDE ION, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Tran, T.H, Dharmaiah, S, Simanshu, D.K.
登録日2023-05-10
公開日2023-08-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Allosteric Regulation of Switch-II Domain Controls KRAS Oncogenicity.
Cancer Res., 83, 2023
8STM
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BU of 8stm by Molmil
Crystal structure of KRAS-G75A mutant, GDP-bound
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Tran, T.H, Dharmaiah, S, Simanshu, D.K.
登録日2023-05-10
公開日2023-08-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Allosteric Regulation of Switch-II Domain Controls KRAS Oncogenicity.
Cancer Res., 83, 2023
2RFS
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BU of 2rfs by Molmil
X-ray structure of SU11274 bound to c-Met
分子名称: Hepatocyte growth factor receptor, N-(3-chlorophenyl)-N-methyl-2-oxo-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methyl]-2H-indole-5-sulfonamide
著者Bellon, S.F, Kaplan-Lefko, P, Yang, Y, Zhang, Y, Moriguchi, J, Dussault, I.
登録日2007-10-01
公開日2007-11-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献c-Met inhibitors with novel binding mode show activity against several hereditary papillary renal cell carcinoma-related mutations.
J.Biol.Chem., 283, 2008
2RFN
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BU of 2rfn by Molmil
x-ray structure of c-Met with inhibitor.
分子名称: 2-benzyl-5-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-3-methylpyrimidin-4(3H)-one, Hepatocyte growth factor receptor
著者Bellon, S.F, Kaplan-Lefko, P, Yang, Y, Zhang, Y, Moriguchi, J, Dussault, I.
登録日2007-10-01
公開日2007-11-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献c-Met inhibitors with novel binding mode show activity against several hereditary papillary renal cell carcinoma-related mutations.
J.Biol.Chem., 283, 2008
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