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6JVC
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BU of 6jvc by Molmil
Structure of the Cobalt Protoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan
Descriptor: (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bifunctional cytochrome P450/NADPH--P450 reductase, ...
Authors:Stanfield, J.K, Matsumoto, A, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O.
Deposit date:2019-04-16
Release date:2020-03-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain.
Angew.Chem.Int.Ed.Engl., 59, 2020
6K58
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BU of 6k58 by Molmil
Structure of the CYP102A1 Haem Domain with N-Enanthyl-L-Prolyl-L-Phenylalanine
Descriptor: (2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ...
Authors:Stanfield, J.K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O.
Deposit date:2019-05-28
Release date:2020-03-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain.
Angew.Chem.Int.Ed.Engl., 59, 2020
5K7K
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BU of 5k7k by Molmil
Design and Optimization of Biaryl Ether Aryl Sulfonamides as Selective Inhibitors of NaV1.7: Discovery of Clinical Candidate PF-05089771
Descriptor: 4-[4-chloranyl-2-(1~{H}-pyrazol-4-yl)phenoxy]-3-cyano-~{N}-(1,3-thiazol-2-yl)benzenesulfonamide, Cytochrome P450 2C9, PROTOPORPHYRIN IX CONTAINING FE
Authors:Swain, N, Chrencik, J.
Deposit date:2016-05-26
Release date:2017-06-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of Clinical Candidate 4-[2-(5-Amino-1H-pyrazol-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-1,3-thiazol-4-ylbenzenesulfonamide (PF-05089771): Design and Optimization of Diaryl Ether Aryl Sulfonamides as Selective Inhibitors of NaV1.7.
J. Med. Chem., 60, 2017
3NXU
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BU of 3nxu by Molmil
Crystal structure of human cytochrome P4503A4 bound to an inhibitor ritonavir
Descriptor: Cytochrome P450 3A4, DIMETHYL SULFOXIDE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Sevrioukova, I.F, Poulos, T.L.
Deposit date:2010-07-14
Release date:2010-10-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and mechanism of the complex between cytochrome P4503A4 and ritonavir.
Proc.Natl.Acad.Sci.USA, 107, 2010
3OO3
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BU of 3oo3 by Molmil
Crystal Structure of the Orf6* (CYP165D3) Monooxygenase Involved in Teicoplanin Biosynthesis
Descriptor: Oxy protein, PROTOPORPHYRIN IX CONTAINING FE
Authors:Li, Z, Nair, S.K.
Deposit date:2010-08-30
Release date:2011-01-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of a phenol-coupling P450 monooxygenase involved in teicoplanin biosynthesis.
Proteins, 79, 2011
3L61
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BU of 3l61 by Molmil
Crystal structure of substrate-free P450cam at 200 mM [K+]
Descriptor: Camphor 5-monooxygenase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lee, Y.-T, Wilson, R.F, Rupniewski, I, Goodin, D.B.
Deposit date:2009-12-22
Release date:2010-04-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:P450cam visits an open conformation in the absence of substrate.
Biochemistry, 49, 2010
3OIA
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BU of 3oia by Molmil
Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC1-C8GluEtg-Bio
Descriptor: Camphor 5-monooxygenase, N-{15-oxo-19-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-4,7,10-trioxa-14-azanonadec-1-yl}-N'-(8-{[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl]amino}octyl)pentanediamide, POTASSIUM ION, ...
Authors:Lee, Y.-T, Wilson, R.F, Glazer, E.C, Goodin, D.B.
Deposit date:2010-08-18
Release date:2010-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC1-C8GluEtg-Bio
To be Published
3OL5
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BU of 3ol5 by Molmil
Crystal Structure of Cytochrome P450cam crystallized with a tethered substrate analog 3OH-AdaC1-C8-Dans
Descriptor: (1R,3S,5R,7S)-N-[8-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)octyl]-3-hydroxytricyclo[3.3.1.1~3,7~]decane-1-carboxamide, Camphor 5-monooxygenase, POTASSIUM ION, ...
Authors:Lee, Y.-T, Wilson, R.F, Glazer, E.C, Goodin, D.B.
Deposit date:2010-08-25
Release date:2010-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal Structure of Cytochrome P450cam crystallized with a tethered substrate analog 3OH-AdaC1-C8-Dans
To be Published
3L63
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BU of 3l63 by Molmil
Crystal structure of camphor-bound P450cam at low [K+]
Descriptor: CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ...
Authors:Lee, Y.-T, Wilson, R.F, Rupniewski, I, Goodin, D.B.
Deposit date:2009-12-22
Release date:2010-04-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:P450cam visits an open conformation in the absence of substrate.
Biochemistry, 49, 2010
5KDY
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BU of 5kdy by Molmil
The crystal structure of the D251N mutant of CYP199A4 in complex with 4-methoxybenzoate
Descriptor: 4-METHOXYBENZOIC ACID, CHLORIDE ION, Cytochrome P450, ...
Authors:Coleman, T, Bruning, J.B, Bell, S.G.
Deposit date:2016-06-08
Release date:2018-02-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.589 Å)
Cite:The crystal structure of the D251N mutant of CYP199A4 in complex with 4-methoxybenzoate
To Be Published
3LXI
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BU of 3lxi by Molmil
Crystal Structure of Camphor-Bound CYP101D1
Descriptor: CAMPHOR, Cytochrome P450, PHOSPHATE ION, ...
Authors:Yang, W, Bell, S.G, Wang, H, Bartlam, M, Wong, L.L, Rao, Z.
Deposit date:2010-02-25
Release date:2010-06-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Molecular characterization of a class I P450 electron transfer system from Novosphingobium aromaticivorans DSM12444
J.Biol.Chem., 285, 2010
3P6M
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BU of 3p6m by Molmil
Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC1-C8-Dans
Descriptor: ADAMANTANE-1-CARBOXYLIC ACID-5-DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO-OCTYL-AMIDE, Camphor 5-monooxygenase, POTASSIUM ION, ...
Authors:Lee, Y.-T, Wilson, R.F, Glazer, E.C, Goodin, D.B.
Deposit date:2010-10-11
Release date:2010-11-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC1-C8-Dans
To be Published
3P6N
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BU of 3p6n by Molmil
Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC1-C8-Dans
Descriptor: ADAMANTANE-1-CARBOXYLIC ACID-5-DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO-OCTYL-AMIDE, Camphor 5-monooxygenase, POTASSIUM ION, ...
Authors:Lee, Y.-T, Wilson, R.F, Glazer, E.C, Goodin, D.B.
Deposit date:2010-10-11
Release date:2010-11-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC1-C8-Dans
To be Published
3LC4
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BU of 3lc4 by Molmil
Human Cytochrome P450 2E1 in Complex with Omega-Imidazolyl-Dodecanoic Acid
Descriptor: 12-(1H-imidazol-1-yl)dodecanoic acid, Cytochrome P450 2E1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Scott, E.E, Porubsky, P.R.
Deposit date:2010-01-09
Release date:2010-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Human cytochrome P450 2E1 structures with fatty acid analogs reveal a previously unobserved binding mode.
J.Biol.Chem., 285, 2010
3P6R
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BU of 3p6r by Molmil
Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog 3OH-AdaC1-Etg-Boc
Descriptor: CHLORIDE ION, Camphor 5-monooxygenase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lee, Y.-T, Wilson, R.F, Glazer, E.C, Goodin, D.B.
Deposit date:2010-10-11
Release date:2010-11-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog 3OH-AdaC1-Etg-Boc
To be Published
6K3Q
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BU of 6k3q by Molmil
Crystal Structure of P450BM3 with N-(3-cyclohexylpropanoyl)-L-prolyl-L-phenylalanine
Descriptor: (2S)-2-[[(2S)-1-(3-cyclohexylpropanoyl)pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ...
Authors:Shoji, O, Yonemura, K.
Deposit date:2019-05-21
Release date:2020-05-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Systematic Evolution of Decoy Molecules for the Highly Efficient Hydroxylation of Benzene and Small Alkanes Catalyzed by Wild-Type Cytochrome P450BM3
Acs Catalysis, 10, 2020
3P6Q
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BU of 3p6q by Molmil
Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC2-Etg-Boc
Descriptor: CHLORIDE ION, Camphor 5-monooxygenase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lee, Y.-T, Wilson, R.F, Glazer, E.C, Goodin, D.B.
Deposit date:2010-10-11
Release date:2010-11-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC2-Etg-Boc
To be Published
6K9S
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BU of 6k9s by Molmil
Structure of the Carbonylruthenium Mesoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan
Descriptor: (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, CARBON MONOXIDE, ...
Authors:Stanfield, J.K, Omura, K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O.
Deposit date:2019-06-17
Release date:2020-03-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain.
Angew.Chem.Int.Ed.Engl., 59, 2020
3LD6
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BU of 3ld6 by Molmil
Crystal structure of human lanosterol 14alpha-demethylase (CYP51) in complex with ketoconazole
Descriptor: 1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), Lanosterol 14-alpha demethylase, ...
Authors:Strushkevich, N, Tempel, W, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2010-01-12
Release date:2010-02-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis of human CYP51 inhibition by antifungal azoles.
J.Mol.Biol., 397, 2010
6K24
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BU of 6k24 by Molmil
Structure of the Rhodium Mesoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan
Descriptor: (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ...
Authors:Stanfield, J.K, Matsumoto, A, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O.
Deposit date:2019-05-13
Release date:2020-03-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain.
Angew.Chem.Int.Ed.Engl., 59, 2020
6JZS
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BU of 6jzs by Molmil
Structure of the Manganese Protoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan in complex with Pyridine
Descriptor: (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, ...
Authors:Stanfield, J.K, Omura, K, Matsumoto, A, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O.
Deposit date:2019-05-03
Release date:2020-03-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain.
Angew.Chem.Int.Ed.Engl., 59, 2020
3P3X
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BU of 3p3x by Molmil
Crystal Structure of the Cytochrome P450 Monooxygenase AurH (nterm-AurH-I) from Streptomyces Thioluteus
Descriptor: CHLORIDE ION, Cytochrome P450, GLYCEROL, ...
Authors:Zocher, G, Richter, M.E.A, Mueller, U, Hertweck, C.
Deposit date:2010-10-05
Release date:2011-02-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural fine-tuning of a multifunctional cytochrome p450 monooxygenase.
J.Am.Chem.Soc., 133, 2011
3P6P
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BU of 3p6p by Molmil
Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC1-C6-Bio
Descriptor: (3S,5S,7S)-N-[6-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexyl]tricyclo[3.3.1.1~3,7~]decane-1-carboxamide, Camphor 5-monooxygenase, POTASSIUM ION, ...
Authors:Lee, Y.-T, Wilson, R.F, Glazer, E.C, Goodin, D.B.
Deposit date:2010-10-11
Release date:2010-11-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC1-C6-Bio
To be Published
3P3Z
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BU of 3p3z by Molmil
Crystal Structure of the Cytochrome P450 Monooxygenase AurH from Streptomyces Thioluteus in Complex with Ancymidol
Descriptor: (S)-cyclopropyl(4-methoxyphenyl)pyrimidin-5-ylmethanol, CHLORIDE ION, Cytochrome P450, ...
Authors:Zocher, G, Richter, M.E.A, Mueller, U, Hertweck, C.
Deposit date:2010-10-05
Release date:2011-02-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural fine-tuning of a multifunctional cytochrome p450 monooxygenase.
J.Am.Chem.Soc., 133, 2011
3P6W
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BU of 3p6w by Molmil
Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC3-Etg-Boc
Descriptor: Camphor 5-monooxygenase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lee, Y.-T, Wilson, R.F, Glazer, E.C, Goodin, D.B.
Deposit date:2010-10-11
Release date:2010-11-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC3-Etg-Boc
To be Published

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