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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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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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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1VZK
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![BU of 1vzk by Molmil](/molmil-images/mine/1vzk) | A Thiophene Based Diamidine Forms a "Super" AT Binding Minor Groove Agent | Descriptor: | 2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}-2-THIENYL)-1H-BENZIMIDAZOLE-6- CARBOXIMIDAMIDE DIHYDROCHLORIDE, 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP *CP*G)-3', MAGNESIUM ION | Authors: | Mallena, S, Lee, M.P.H, Bailly, C, Neidle, S, Kumar, A, Boykin, D.W, Wilson, W.D. | Deposit date: | 2004-05-20 | Release date: | 2004-10-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Thiophene-Based Diamidine Forms a "Super" at Binding Minor Groove Agent J.Am.Chem.Soc., 142, 2004
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6HQQ
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![BU of 6hqq by Molmil](/molmil-images/mine/6hqq) | Crystal structure of GcoA F169A bound to syringol | Descriptor: | 2,6-dimethoxyphenol, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Mallinson, S.J.B, Hinchen, D.J, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2018-09-25 | Release date: | 2019-07-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Enabling microbial syringol conversion through structure-guided protein engineering. Proc.Natl.Acad.Sci.USA, 116, 2019
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6HQN
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![BU of 6hqn by Molmil](/molmil-images/mine/6hqn) | Crystal structure of GcoA F169L bound to guaiacol | Descriptor: | Cytochrome P450, Guaiacol, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Mallinson, S.J.B, Hinchen, D.J, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2018-09-25 | Release date: | 2019-07-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Enabling microbial syringol conversion through structure-guided protein engineering. Proc.Natl.Acad.Sci.USA, 116, 2019
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6HQL
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![BU of 6hql by Molmil](/molmil-images/mine/6hql) | Crystal structure of GcoA F169H bound to guaiacol | Descriptor: | Cytochrome P450, Guaiacol, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Mallinson, S.J.B, Hinchen, D.J, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2018-09-25 | Release date: | 2019-07-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Enabling microbial syringol conversion through structure-guided protein engineering. Proc.Natl.Acad.Sci.USA, 116, 2019
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6HQT
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![BU of 6hqt by Molmil](/molmil-images/mine/6hqt) | Crystal structure of GcoA F169V bound to syringol | Descriptor: | 2,6-dimethoxyphenol, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Mallinson, S.J.B, Hinchen, D.J, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2018-09-25 | Release date: | 2019-07-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Enabling microbial syringol conversion through structure-guided protein engineering. Proc.Natl.Acad.Sci.USA, 116, 2019
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6HQO
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![BU of 6hqo by Molmil](/molmil-images/mine/6hqo) | Crystal structure of GcoA F169S bound to guaiacol | Descriptor: | Cytochrome P450, Guaiacol, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Mallinson, S.J.B, Hinchen, D.J, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2018-09-25 | Release date: | 2019-07-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Enabling microbial syringol conversion through structure-guided protein engineering. Proc.Natl.Acad.Sci.USA, 116, 2019
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6HQM
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![BU of 6hqm by Molmil](/molmil-images/mine/6hqm) | Crystal structure of GcoA F169I bound to guaiacol | Descriptor: | Cytochrome P450, Guaiacol, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Mallinson, S.J.B, Hinchen, D.J, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2018-09-25 | Release date: | 2019-07-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Enabling microbial syringol conversion through structure-guided protein engineering. Proc.Natl.Acad.Sci.USA, 116, 2019
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6HQK
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![BU of 6hqk by Molmil](/molmil-images/mine/6hqk) | Crystal structure of GcoA F169A bound to guaiacol | Descriptor: | Cytochrome P450, Guaiacol, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Mallinson, S.J.B, Hinchen, D.J, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2018-09-25 | Release date: | 2019-07-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Enabling microbial syringol conversion through structure-guided protein engineering. Proc.Natl.Acad.Sci.USA, 116, 2019
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6HQR
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![BU of 6hqr by Molmil](/molmil-images/mine/6hqr) | Crystal structure of GcoA F169H bound to syringol | Descriptor: | 2,6-dimethoxyphenol, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Mallinson, S.J.B, Hinchen, D.J, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2018-09-25 | Release date: | 2019-07-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Enabling microbial syringol conversion through structure-guided protein engineering. Proc.Natl.Acad.Sci.USA, 116, 2019
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6HQP
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![BU of 6hqp by Molmil](/molmil-images/mine/6hqp) | Crystal structure of GcoA F169V bound to guaiacol | Descriptor: | Cytochrome P450, Guaiacol, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Mallinson, S.J.B, Hinchen, D.J, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2018-09-25 | Release date: | 2019-07-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Enabling microbial syringol conversion through structure-guided protein engineering. Proc.Natl.Acad.Sci.USA, 116, 2019
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6HQS
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![BU of 6hqs by Molmil](/molmil-images/mine/6hqs) | Crystal structure of GcoA F169S bound to syringol | Descriptor: | 2,6-dimethoxyphenol, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Mallinson, S.J.B, Hinchen, D.J, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2018-09-25 | Release date: | 2019-07-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Enabling microbial syringol conversion through structure-guided protein engineering. Proc.Natl.Acad.Sci.USA, 116, 2019
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5OMU
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![BU of 5omu by Molmil](/molmil-images/mine/5omu) | Crystal structure of Amycolatopsis cytochrome P450 GcoA in complex with syringol | Descriptor: | 2,6-dimethoxyphenol, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Mallinson, S.J.B, Johnson, C.W, Neidle, E.L, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2017-08-01 | Release date: | 2018-07-04 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A promiscuous cytochrome P450 aromatic O-demethylase for lignin bioconversion. Nat Commun, 9, 2018
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5OMS
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![BU of 5oms by Molmil](/molmil-images/mine/5oms) | Crystal structure of Amycolatopsis cytochrome P450 GcoA in complex with guaethol. | Descriptor: | 2-ethoxyphenol, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Mallinson, S.J.B, Johnson, C.W, Neidle, E.L, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2017-08-01 | Release date: | 2018-07-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A promiscuous cytochrome P450 aromatic O-demethylase for lignin bioconversion. Nat Commun, 9, 2018
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5OGX
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![BU of 5ogx by Molmil](/molmil-images/mine/5ogx) | Crystal structure of Amycolatopsis cytochrome P450 reductase GcoB. | Descriptor: | BROMIDE ION, Cytochrome P450 reductase, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Mallinson, S.J.B, Johnson, C.W, Neidle, E.L, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2017-07-13 | Release date: | 2018-07-04 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | A promiscuous cytochrome P450 aromatic O-demethylase for lignin bioconversion. Nat Commun, 9, 2018
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5OMR
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![BU of 5omr by Molmil](/molmil-images/mine/5omr) | Crystal structure of Amycolatopsis cytochrome P450 GcoA in complex with vanillin. | Descriptor: | 4-hydroxy-3-methoxybenzaldehyde, GcoA, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Mallinson, S.J.B, Johnson, C.W, Neidle, E.L, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2017-08-01 | Release date: | 2018-07-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | A promiscuous cytochrome P450 aromatic O-demethylase for lignin bioconversion. Nat Commun, 9, 2018
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5NCB
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![BU of 5ncb by Molmil](/molmil-images/mine/5ncb) | Crystal structure of Amycolatopsis cytochrome P450 GcoA in complex with guaiacol. | Descriptor: | Cytochrome P450, Guaiacol, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Mallinson, S.J.B, Johnson, C.W, Neidle, E.L, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2017-03-03 | Release date: | 2018-07-04 | Last modified: | 2022-03-30 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | A promiscuous cytochrome P450 aromatic O-demethylase for lignin bioconversion. Nat Commun, 9, 2018
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1OEW
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![BU of 1oew by Molmil](/molmil-images/mine/1oew) | ATOMIC RESOLUTION STRUCTURE OF NATIVE ENDOTHIAPEPSIN | Descriptor: | ENDOTHIAPEPSIN, GLYCEROL, SERINE, ... | Authors: | Coates, L, Erskine, P.T, Mall, S, Gill, R.S, Wood, S.P, Myles, D.A.A, Cooper, J.B. | Deposit date: | 2003-03-31 | Release date: | 2003-04-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (0.9 Å) | Cite: | Atomic Resolution Analysis of the Catalytic Site of an Aspartic Proteinase and an Unexpected Mode of Binding by Short Peptides Protein Sci., 12, 2003
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1OD1
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![BU of 1od1 by Molmil](/molmil-images/mine/1od1) | Endothiapepsin PD135,040 complex | Descriptor: | ENDOTHIAPEPSIN, N~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide, SULFATE ION | Authors: | Coates, L, Erskine, P.T, Mall, S, Gill, R.S, Wood, S.P, Cooper, J.B. | Deposit date: | 2003-02-12 | Release date: | 2003-06-12 | Last modified: | 2012-11-30 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | The Structure of Endothiapepsin Complexed with the Gem-Diol Inhibitor Pd-135,040 at 1.37 A Acta Crystallogr.,Sect.D, 59, 2003
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1OEX
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![BU of 1oex by Molmil](/molmil-images/mine/1oex) | Atomic Resolution Structure of Endothiapepsin in Complex with a Hydroxyethylene Transition State Analogue Inhibitor H261 | Descriptor: | ENDOTHIAPEPSIN, GLYCEROL, INHIBITOR H261, ... | Authors: | Coates, L, Erskine, P.T, Mall, S, Gill, R.S, Wood, S.P, Myles, D.A.A, Cooper, J.B. | Deposit date: | 2003-03-31 | Release date: | 2003-04-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Atomic Resolution Analysis of the Catalytic Site of an Aspartic Proteinase and an Unexpected Mode of Binding by Short Peptides Protein Sci., 12, 2003
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1QGF
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![BU of 1qgf by Molmil](/molmil-images/mine/1qgf) | PORCINE PANCREATIC ELASTASE COMPLEXED WITH (3R, 4S)N-PARA-TOLUENESULPHONYL-3-ETHYL-4-(CARBOXYLIC ACID)PYRROLIDIN-2-ONE | Descriptor: | (2S,3S)-3-FORMYL-2-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID, CALCIUM ION, ELASTASE, ... | Authors: | Wilmouth, R.C, Kassamally, S, Westwood, N.J, Sheppard, R.J, Claridge, T.D.W, Wright, P.A, Pritchard, G.J, Schofield, C.J. | Deposit date: | 1999-04-27 | Release date: | 1999-12-29 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Mechanistic insights into the inhibition of serine proteases by monocyclic lactams. Biochemistry, 38, 1999
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6RPB
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![BU of 6rpb by Molmil](/molmil-images/mine/6rpb) | Crystal structure of the T-cell receptor NYE_S1 bound to HLA A2*01-SLLMWITQV | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ... | Authors: | Coles, C.H, Mulvaney, R, Malla, S, Lloyd, A, Smith, K, Chester, F, Knox, A, Stacey, A.R, Dukes, J, Baston, E, Griffin, S, Vuidepot, A, Jakobsen, B.K, Harper, S. | Deposit date: | 2019-05-14 | Release date: | 2020-01-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | TCRs with Distinct Specificity Profiles Use Different Binding Modes to Engage an Identical Peptide-HLA Complex. J Immunol., 204, 2020
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6RP9
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![BU of 6rp9 by Molmil](/molmil-images/mine/6rp9) | Crystal structure of the T-cell receptor NYE_S3 bound to HLA A2*01-SLLMWITQV | Descriptor: | Beta-2-microglobulin, Cancer/testis antigen 1, HLA class I histocompatibility antigen, ... | Authors: | Coles, C.H, Mulvaney, R, Malla, S, Lloyd, A, Smith, K, Chester, F, Knox, A, Stacey, A.R, Dukes, J, Baston, E, Griffin, S, Vuidepot, A, Jakobsen, B.K, Harper, S. | Deposit date: | 2019-05-14 | Release date: | 2020-01-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.12 Å) | Cite: | TCRs with Distinct Specificity Profiles Use Different Binding Modes to Engage an Identical Peptide-HLA Complex. J Immunol., 204, 2020
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