5UHV
 
 | | wild-type NRas bound to GppNHp | | Descriptor: | GLYCEROL, GTPase NRas, MAGNESIUM ION, ... | | Authors: | Reid, D, Johnson, C, Salter, S, Mattos, C. | | Deposit date: | 2017-01-12 | | Release date: | 2017-06-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.672 Å) | | Cite: | The small GTPases K-Ras, N-Ras, and H-Ras have distinct biochemical properties determined by allosteric effects.
J. Biol. Chem., 292, 2017
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8AYV
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7UPJ
 | | HIV-1 PROTEASE/U101935 COMPLEX | | Descriptor: | HIV-1 PROTEASE, N-(3-CYCLOPROPYL(5,6,7,8,9,10-HEXAHYDRO-2-OXO-2H-CYCLOOCTA[B]PYRAN-3-YL)METHYL)PHENYLBENZENSULFONAMIDE | | Authors: | Watenpaugh, K.D, Janakiraman, M.N. | | Deposit date: | 1996-12-05 | | Release date: | 1997-04-21 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-based design of nonpeptidic HIV protease inhibitors: the sulfonamide-substituted cyclooctylpyramones.
J.Med.Chem., 40, 1997
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6YCH
 | | Crystal structure of GcoA T296A bound to guaiacol | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Aromatic O-demethylase, cytochrome P450 subunit, ... | | Authors: | Mallinson, S.J.B, Hinchen, D.J, Ellis, E.S, DuBois, J.L, Beckham, G.T, McGeehan, J.E. | | Deposit date: | 2020-03-18 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
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6YCK
 | | Crystal structure of GcoA T296A bound to p-vanillin | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-hydroxy-3-methoxybenzaldehyde, Aromatic O-demethylase, ... | | Authors: | Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E. | | Deposit date: | 2020-03-18 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
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6YCL
 | | Crystal structure of GcoA T296G bound to p-vanillin | | Descriptor: | 4-hydroxy-3-methoxybenzaldehyde, Aromatic O-demethylase, cytochrome P450 subunit, ... | | Authors: | Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E. | | Deposit date: | 2020-03-18 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
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6YCO
 | | Crystal structure of GcoA F169S bound to o-vanillin | | Descriptor: | 2-(hydroxymethyl)-6-methoxy-phenol, Aromatic O-demethylase, cytochrome P450 subunit, ... | | Authors: | Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E. | | Deposit date: | 2020-03-18 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
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6YCP
 | | Crystal structure of GcoA F169V bound to o-vanillin | | Descriptor: | 2-(hydroxymethyl)-6-methoxy-phenol, Aromatic O-demethylase, cytochrome P450 subunit, ... | | Authors: | Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E. | | Deposit date: | 2020-03-18 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
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6YCJ
 | | Crystal structure of GcoA T296S bound to guaiacol | | Descriptor: | Aromatic O-demethylase, cytochrome P450 subunit, Guaiacol, ... | | Authors: | Mallinson, S.J.B, Hinchen, D.J, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E. | | Deposit date: | 2020-03-18 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
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6YCT
 | | Crystal structure of GcoA F169A_T296S bound to p-vanillin | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-hydroxy-3-methoxybenzaldehyde, Cytochrome P450, ... | | Authors: | Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E. | | Deposit date: | 2020-03-19 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
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6YCN
 | | Crystal structure of GcoA F169A bound to o-vanillin | | Descriptor: | 2-(hydroxymethyl)-6-methoxy-phenol, Aromatic O-demethylase, cytochrome P450 subunit, ... | | Authors: | Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E. | | Deposit date: | 2020-03-18 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
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6YCM
 | | Crystal structure of GcoA T296S bound to p-vanillin | | Descriptor: | 4-hydroxy-3-methoxybenzaldehyde, Aromatic O-demethylase, cytochrome P450 subunit, ... | | Authors: | Mallinson, S.J.B, Hinchen, D.J, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E. | | Deposit date: | 2020-03-18 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
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6YCI
 | | Crystal structure of GcoA T296G bound to guaiacol | | Descriptor: | Aromatic O-demethylase, cytochrome P450 subunit, Guaiacol, ... | | Authors: | Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E. | | Deposit date: | 2020-03-18 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
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6WS4
 | | Crystal structure of KRAS-G12D/K104Q mutant, GDP-bound | | Descriptor: | 3,3',3''-phosphanetriyltripropanoic acid, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Tran, T.H, Simanshu, D.K. | | Deposit date: | 2020-04-30 | | Release date: | 2021-11-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Allosteric regulation of switch-II domain controls KRAS oncogenicity.
Cancer Res., 2023
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6WS2
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7ON9
 | | Crystal structure of para-hydroxybenzoate-3-hydroxylase PraI | | Descriptor: | 4-hydroxybenzoate 3-monooxygenase (NAD(P)H), FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOIC ACID | | Authors: | Zahn, M, McGeehan, J.E. | | Deposit date: | 2021-05-25 | | Release date: | 2022-01-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Debottlenecking 4-hydroxybenzoate hydroxylation in Pseudomonas putida KT2440 improves muconate productivity from p-coumarate.
Metab Eng, 70, 2022
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8AIS
 | | Crystal structure of cutinase PsCut from Pseudomonas saudimassiliensis | | Descriptor: | ACETATE ION, Lipase 1 | | Authors: | Zahn, M, Allen, M.D, Pickford, A.R, McGeehan, J.E. | | Deposit date: | 2022-07-27 | | Release date: | 2023-03-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Concentration-Dependent Inhibition of Mesophilic PETases on Poly(ethylene terephthalate) Can Be Eliminated by Enzyme Engineering.
ChemSusChem, 16, 2023
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8AIT
 | | Crystal structure of cutinase PbauzCut from Pseudomonas bauzanensis | | Descriptor: | Cutinase, SULFATE ION | | Authors: | Zahn, M, Allen, M.D, Pickford, A.R, McGeehan, J.E. | | Deposit date: | 2022-07-27 | | Release date: | 2023-03-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Concentration-Dependent Inhibition of Mesophilic PETases on Poly(ethylene terephthalate) Can Be Eliminated by Enzyme Engineering.
ChemSusChem, 16, 2023
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8AIR
 | | Crystal structure of cutinase RgCutII from Rhizobacter gummiphilus | | Descriptor: | ACETATE ION, RgCutII | | Authors: | Zahn, M, Allen, M.D, Pickford, A.R, McGeehan, J.E. | | Deposit date: | 2022-07-27 | | Release date: | 2023-03-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Concentration-Dependent Inhibition of Mesophilic PETases on Poly(ethylene terephthalate) Can Be Eliminated by Enzyme Engineering.
ChemSusChem, 16, 2023
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6BOF
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1HPO
 | | HIV-1 PROTEASE TRIPLE MUTANT/U103265 COMPLEX | | Descriptor: | 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 | | Authors: | Watenpaugh, K.D, Janakiraman, M.N. | | Deposit date: | 1996-12-10 | | Release date: | 1997-04-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-based design of nonpeptidic HIV protease inhibitors: the sulfonamide-substituted cyclooctylpyramones.
J.Med.Chem., 40, 1997
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8STN
 | | Crystal structure of KRAS-G12D/G75A mutant, GDP-bound | | Descriptor: | CHLORIDE ION, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Tran, T.H, Dharmaiah, S, Simanshu, D.K. | | Deposit date: | 2023-05-10 | | Release date: | 2023-08-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Allosteric Regulation of Switch-II Domain Controls KRAS Oncogenicity.
Cancer Res., 83, 2023
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8STM
 | | Crystal structure of KRAS-G75A mutant, GDP-bound | | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | | Authors: | Tran, T.H, Dharmaiah, S, Simanshu, D.K. | | Deposit date: | 2023-05-10 | | Release date: | 2023-08-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Allosteric Regulation of Switch-II Domain Controls KRAS Oncogenicity.
Cancer Res., 83, 2023
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2RFS
 | | X-ray structure of SU11274 bound to c-Met | | Descriptor: | 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 | | Authors: | Bellon, S.F, Kaplan-Lefko, P, Yang, Y, Zhang, Y, Moriguchi, J, Dussault, I. | | Deposit date: | 2007-10-01 | | Release date: | 2007-11-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | 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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2RFN
 | | x-ray structure of c-Met with inhibitor. | | Descriptor: | 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 | | Authors: | Bellon, S.F, Kaplan-Lefko, P, Yang, Y, Zhang, Y, Moriguchi, J, Dussault, I. | | Deposit date: | 2007-10-01 | | Release date: | 2007-11-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | 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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