7KMR
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7UPJ
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![BU of 7upj by Molmil](/molmil-images/mine/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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8AYV
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![BU of 8ayv by Molmil](/molmil-images/mine/8ayv) | |
6WS4
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![BU of 6ws4 by Molmil](/molmil-images/mine/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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8AIT
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![BU of 8ait by Molmil](/molmil-images/mine/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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8AIS
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![BU of 8ais by Molmil](/molmil-images/mine/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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8AIR
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![BU of 8air by Molmil](/molmil-images/mine/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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6YCH
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![BU of 6ych by Molmil](/molmil-images/mine/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
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![BU of 6yck by Molmil](/molmil-images/mine/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
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![BU of 6ycl by Molmil](/molmil-images/mine/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
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![BU of 6yco by Molmil](/molmil-images/mine/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
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![BU of 6ycp by Molmil](/molmil-images/mine/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
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![BU of 6ycj by Molmil](/molmil-images/mine/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
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![BU of 6yct by Molmil](/molmil-images/mine/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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6YCM
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![BU of 6ycm by Molmil](/molmil-images/mine/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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6YCN
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![BU of 6ycn by Molmil](/molmil-images/mine/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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6YCI
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![BU of 6yci by Molmil](/molmil-images/mine/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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6BOF
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![BU of 6bof by Molmil](/molmil-images/mine/6bof) | |
7ON9
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![BU of 7on9 by Molmil](/molmil-images/mine/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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1HPO
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![BU of 1hpo by Molmil](/molmil-images/mine/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
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![BU of 8stn by Molmil](/molmil-images/mine/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
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![BU of 8stm by Molmil](/molmil-images/mine/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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2RFN
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![BU of 2rfn by Molmil](/molmil-images/mine/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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2RFS
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![BU of 2rfs by Molmil](/molmil-images/mine/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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