7RKW
 
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7RKT
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7RKR
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7REH
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7R8T
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7R8S
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7R3U
 | | Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor | | Descriptor: | 1-[4-(1,2,3-thiadiazol-4-yl)phenyl]methanamine, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Snee, M, Katariya, M, Leys, D, Levy, C. | | Deposit date: | 2022-02-07 | | Release date: | 2023-02-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
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7R1I
 | | Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor | | Descriptor: | CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | | Authors: | Snee, M, Katariya, M, Levy, C, Leys, D. | | Deposit date: | 2022-02-03 | | Release date: | 2023-02-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
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7QWN
 | | Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor | | Descriptor: | CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | | Authors: | Snee, M, Katariya, M, Levy, C, Leys, D. | | Deposit date: | 2022-01-25 | | Release date: | 2023-02-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
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7QQ7
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7QNN
 | | Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with inhibitor (surface entropy reduction mutant) | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Steroid C26-monooxygenase, ethyl 1-(cyclopentylmethyl)-5-pyridin-4-yl-indole-2-carboxylate | | Authors: | Snee, M, Tunnicliffe, R, Leys, D, Levy, C, Katariya, M. | | Deposit date: | 2021-12-21 | | Release date: | 2022-12-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
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7QKE
 | | Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with inhibitor (surface entropy reduction mutant) | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Steroid C26-monooxygenase, ethyl 1-(cyclohexylmethyl)-5-pyridin-4-yl-indole-2-carboxylate | | Authors: | Snee, M, Tunnicliffe, R, Leys, D, Levy, C, Katariya, M. | | Deposit date: | 2021-12-17 | | Release date: | 2022-12-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
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7QJL
 | | Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with an inhibitor | | Descriptor: | ACETATE ION, BROMIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Snee, M, Levy, C, Katariya, M. | | Deposit date: | 2021-12-16 | | Release date: | 2022-12-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
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7QAN
 | | Cytochrome P450 Enzyme AbyV | | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CHLORIDE ION, Cytochrome P450, ... | | Authors: | Parnell, A.E, Back, C.R, Race, P.R. | | Deposit date: | 2021-11-17 | | Release date: | 2022-11-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | The Role of Cytochrome P450 AbyV in the Final Stages of Abyssomicin C Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023
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7Q9E
 | | CYP106A1 | | Descriptor: | COBALT (II) ION, Cytochrome P450, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Carius, Y, Hutter, M, Kiss, F, Bernhardt, R, Lancaster, C.R.D. | | Deposit date: | 2021-11-12 | | Release date: | 2022-10-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural comparison of the cytochrome P450 enzymes CYP106A1 and CYP106A2 provides insight into their differences in steroid conversion.
Febs Lett., 596, 2022
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7Q89
 | | OleP mutant G92W in complex with 6DEB | | Descriptor: | 6-DEOXYERYTHRONOLIDE B, Cytochrome P-450, FORMIC ACID, ... | | Authors: | Savino, C, Montemiglio, L.C, Vallone, B, Exertier, C, Freda, I, Gugole, E. | | Deposit date: | 2021-11-10 | | Release date: | 2022-01-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Point Mutations at a Key Site Alter the Cytochrome P450 OleP Structural Dynamics.
Biomolecules, 12, 2021
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7Q6X
 | | OleP mutant S240Y in complex with 6DEB | | Descriptor: | 6-DEOXYERYTHRONOLIDE B, Cytochrome P-450, FORMIC ACID, ... | | Authors: | Savino, C, Montemiglio, L.C, Vallone, B, Exertier, C, Freda, I, Gugole, E. | | Deposit date: | 2021-11-09 | | Release date: | 2022-01-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Point Mutations at a Key Site Alter the Cytochrome P450 OleP Structural Dynamics.
Biomolecules, 12, 2021
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7Q6R
 | | OleP mutant E89Y in complex with 6DEB | | Descriptor: | 6-DEOXYERYTHRONOLIDE B, Cytochrome P-450, FORMIC ACID, ... | | Authors: | Savino, C, Montemiglio, L.C, Vallone, B, Exertier, C, Freda, I, Gugole, E. | | Deposit date: | 2021-11-09 | | Release date: | 2022-01-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Point Mutations at a Key Site Alter the Cytochrome P450 OleP Structural Dynamics.
Biomolecules, 12, 2021
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7PQ1
 | | Ligand-free crystal structure of a staphylococcal orthologue of CYP134A1 | | Descriptor: | Cytochrome P450 protein, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Snee, M, Levy, C, Leys, D, Katariya, M, Munro, A.W. | | Deposit date: | 2021-09-15 | | Release date: | 2022-09-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with Cyclo-L-leucyl-L-leucine
To Be Published
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7P6L
 | | Heme domain of CYP505A30, a fungal hydroxylase from Myceliophthora thermophila, bound to dodecanoic acid | | Descriptor: | Bifunctional cytochrome P450/NADPH--P450 reductase, LAURIC ACID, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Opperman, D.J, Aschenbrenner, J.C, Tolmie, C, Ebrecht, A.C. | | Deposit date: | 2021-07-16 | | Release date: | 2022-02-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Structure of the fungal hydroxylase, CYP505A30, and rational transfer of mutation data from CYP102A1 to alter regioselectivity
Catalysis Science And Technology, 11, 2021
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7P5T
 | | Structure of CYP142 from Mycobacterium tuberculosis in complex with inhibitor MEK216 | | Descriptor: | BROMIDE ION, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Snee, M, Kavanagh, M, Tunnicliffe, R, McLean, K, Levy, C, Munro, A. | | Deposit date: | 2021-07-14 | | Release date: | 2022-11-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structure of CYP142 from Mycobacterium tuberculosis in complex with inhibitor MEK216
To Be Published
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7OW9
 | | Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with Cyclo-L-leucyl-L-leucine | | Descriptor: | (3S,6S)-3,6-bis(2-methylpropyl)piperazine-2,5-dione, CYPX, NITRATE ION, ... | | Authors: | Snee, M, Levy, C, Leys, D, Katariya, M, Munro, A.W. | | Deposit date: | 2021-06-17 | | Release date: | 2021-08-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with Cyclo-L-leucyl-L-leucine
To Be Published
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7OQ6
 | | Crystal structure of cytochrome P450 Sas16 from Streptomyces asterosporus | | Descriptor: | Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, THIOCYANATE ION | | Authors: | Zhang, L, Zhang, S, Bechthold, A, Einsle, O. | | Deposit date: | 2021-06-02 | | Release date: | 2022-06-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | P450-mediated dehydrotyrosine formation during WS9326 biosynthesis proceeds via dehydrogenation of a specific acylated dipeptide substrate.
Acta Pharm Sin B, 13, 2023
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7NQO
 | | Mycobacterium tuberculosis Cytochrome P450 CYP121 in complex with lead compound 21 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[4-[2-(5-bromanyl-1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine, CHLORIDE ION, ... | | Authors: | Selvam, I.R. | | Deposit date: | 2021-03-01 | | Release date: | 2022-02-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A new strategy for hit generation: Novel in cellulo active inhibitors of CYP121A1 from Mycobacterium tuberculosis via a combined X-ray crystallographic and phenotypic screening approach (XP screen).
Eur.J.Med.Chem., 230, 2022
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7NQN
 | | Mycobacterium tuberculosis Cytochrome P450 CYP121 in complex with lead compound 14 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[4-[2-(1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine, CHLORIDE ION, ... | | Authors: | Selvam, I.R. | | Deposit date: | 2021-03-01 | | Release date: | 2022-02-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A new strategy for hit generation: Novel in cellulo active inhibitors of CYP121A1 from Mycobacterium tuberculosis via a combined X-ray crystallographic and phenotypic screening approach (XP screen).
Eur.J.Med.Chem., 230, 2022
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