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5IBG
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BU of 5ibg by Molmil
Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 25b
Descriptor: 3'-amino-5-[5-amino-3-(4-hydroxyphenyl)-1H-pyrazol-4-yl][1,1'-biphenyl]-2-ol, Cytochrome P450 121 CYP121, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Levy, C.
Deposit date:2016-02-22
Release date:2016-04-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors.
J.Med.Chem., 59, 2016
7QJL
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BU of 7qjl by Molmil
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
7QKE
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BU of 7qke by Molmil
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
7QNN
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BU of 7qnn by Molmil
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
5IBF
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BU of 5ibf by Molmil
Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 19a
Descriptor: 4-(3'-amino[1,1'-biphenyl]-3-yl)-1H-pyrazol-5-amine, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Levy, C.
Deposit date:2016-02-22
Release date:2016-04-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors.
J.Med.Chem., 59, 2016
7QWN
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BU of 7qwn by Molmil
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
5IBI
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BU of 5ibi by Molmil
Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 26a
Descriptor: 4,4'-(5-{[(4-hydroxyphenyl)methyl]amino}-1H-pyrazole-3,4-diyl)diphenol, Cytochrome P450 121 CYP121, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Levy, C.
Deposit date:2016-02-22
Release date:2016-04-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors.
J.Med.Chem., 59, 2016
5IBE
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BU of 5ibe by Molmil
Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 25a
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[5-amino-4-(3'-amino[1,1'-biphenyl]-3-yl)-1H-pyrazol-3-yl]phenol, Mycocyclosin synthase, ...
Authors:Levy, C.
Deposit date:2016-02-22
Release date:2016-04-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.624 Å)
Cite:Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors.
J.Med.Chem., 59, 2016
5IBJ
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BU of 5ibj by Molmil
Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 6
Descriptor: 4-{5-[(4-hydroxyphenyl)amino]-1H-pyrazol-3-yl}phenol, Cytochrome P450 121 CYP121, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Levy, C.
Deposit date:2016-02-22
Release date:2016-04-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors.
J.Med.Chem., 59, 2016
6TGV
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BU of 6tgv by Molmil
Crystal structure of Mycobacterium smegmatis CoaBC in complex with CTP and FMN
Descriptor: 1,2-ETHANEDIOL, CYTIDINE-5'-TRIPHOSPHATE, Coenzyme A biosynthesis bifunctional protein CoaBC, ...
Authors:Mendes, V, Blaszczyk, M, Bryant, O, Cory-Wright, J, Blundell, T.L.
Deposit date:2019-11-18
Release date:2020-11-25
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Inhibiting Mycobacterium tuberculosis CoaBC by targeting an allosteric site.
Nat Commun, 12, 2021
5IBD
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BU of 5ibd by Molmil
Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 24a
Descriptor: 4-(3'-amino[1,1'-biphenyl]-3-yl)-3-(4-methoxyphenyl)-1H-pyrazol-5-amine, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Levy, C.
Deposit date:2016-02-22
Release date:2016-04-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors.
J.Med.Chem., 59, 2016
6G6V
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BU of 6g6v by Molmil
Phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis in complex with 4-(2-carboxybenzoyl)-2-nitrobenzoic acid at 1.9A resolution.
Descriptor: 4-(2-carboxyphenyl)carbonyl-2-nitro-benzoic acid, Phosphopantetheine adenylyltransferase
Authors:Blaszczyk, M, Blundell, T.L.
Deposit date:2018-04-03
Release date:2019-04-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.942 Å)
Cite:Fragment linking applied to the discovery of Mycobacterium tuberculosis phosphopantetheine adenylyltransferase inhibitors
To Be Published
6TH2
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BU of 6th2 by Molmil
Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, CALCIUM ION, ...
Authors:Mendes, V, Blaszczyk, M, Bryant, O, Cory-Wright, J, Blundell, T.L.
Deposit date:2019-11-18
Release date:2020-11-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.844 Å)
Cite:Inhibiting Mycobacterium tuberculosis CoaBC by targeting an allosteric site.
Nat Commun, 12, 2021
6THC
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BU of 6thc by Molmil
Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP and (4-hydroxyphenyl)(2,3,4-trihydroxyphenyl)methanone
Descriptor: (4-hydroxyphenyl)-[2,3,4-tris(oxidanyl)phenyl]methanone, ACETATE ION, CALCIUM ION, ...
Authors:Mendes, V, Blaszczyk, M, Bryant, O, Cory-Wright, J, Blundell, T.L.
Deposit date:2019-11-19
Release date:2020-11-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.033 Å)
Cite:Inhibiting Mycobacterium tuberculosis CoaBC by targeting an allosteric site.
Nat Commun, 12, 2021
7R1I
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BU of 7r1i by Molmil
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
7R3U
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BU of 7r3u by Molmil
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
8FD2
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BU of 8fd2 by Molmil
Cryo-EM structure of Cascade complex in type I-B CAST system
Descriptor: A Type I-B CRISPR-associated protein Cas5, RNA, Type I-B CRISPR-associated protein Cas11, ...
Authors:Chang, L, Wang, S.
Deposit date:2022-12-01
Release date:2023-08-09
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (3.65 Å)
Cite:Molecular mechanism for Tn7-like transposon recruitment by a type I-B CRISPR effector.
Cell, 186, 2023
8FCJ
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BU of 8fcj by Molmil
Cryo-EM structure of Cascade-DNA (P23) complex in type I-B CAST system
Descriptor: Non-target DNA strand, RNA, Target DNA strand, ...
Authors:Chang, L, Wang, S.
Deposit date:2022-12-01
Release date:2023-08-09
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (2.83 Å)
Cite:Molecular mechanism for Tn7-like transposon recruitment by a type I-B CRISPR effector.
Cell, 186, 2023
8FCX
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BU of 8fcx by Molmil
Cryo-EM structure of TnsC oligomer in type I-B CAST system
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, TnsC
Authors:Chang, L, Wang, S.
Deposit date:2022-12-01
Release date:2023-08-09
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Molecular mechanism for Tn7-like transposon recruitment by a type I-B CRISPR effector.
Cell, 186, 2023
8FCU
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BU of 8fcu by Molmil
Cryo-EM structure of Cascade-DNA-TniQ-TnsC complex in type I-B CAST system
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Non-target DNA strand, ...
Authors:Chang, L, Wang, S.
Deposit date:2022-12-01
Release date:2023-08-09
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (3.19 Å)
Cite:Molecular mechanism for Tn7-like transposon recruitment by a type I-B CRISPR effector.
Cell, 186, 2023
8FCW
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BU of 8fcw by Molmil
Cryo-EM structure of TnsC-DNA complex in type I-B CAST system
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DNA (60-MER), MAGNESIUM ION, ...
Authors:Chang, L, Wang, S.
Deposit date:2022-12-01
Release date:2023-08-09
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (2.87 Å)
Cite:Molecular mechanism for Tn7-like transposon recruitment by a type I-B CRISPR effector.
Cell, 186, 2023
8FF4
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BU of 8ff4 by Molmil
Cryo-EM structure of Cascade-DNA-TniQ-TnsC complex (composite) in type I-B CAST system
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Non-target DNA strand, ...
Authors:Chang, L, Wang, S.
Deposit date:2022-12-07
Release date:2023-08-09
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Molecular mechanism for Tn7-like transposon recruitment by a type I-B CRISPR effector.
Cell, 186, 2023
8FD3
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BU of 8fd3 by Molmil
Cryo-EM structure of Cascade-PAM complex in type I-B CAST system
Descriptor: Non-target DNA strand, RNA, Target DNA strand, ...
Authors:Chang, L, Wang, S.
Deposit date:2022-12-01
Release date:2023-08-09
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Molecular mechanism for Tn7-like transposon recruitment by a type I-B CRISPR effector.
Cell, 186, 2023
8FCV
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BU of 8fcv by Molmil
Cryo-EM structure of TnsC-TniQ-DNA complex in type I-B CAST system
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DNA (60-MER), MAGNESIUM ION, ...
Authors:Chang, L, Wang, S.
Deposit date:2022-12-01
Release date:2023-08-09
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Molecular mechanism for Tn7-like transposon recruitment by a type I-B CRISPR effector.
Cell, 186, 2023
8FF5
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BU of 8ff5 by Molmil
Cryo-EM structure of Cascade-DNA-fullRloop in type I-B CAST system
Descriptor: Non-target DNA strand, Nostoc sp. 'Peltigera membranacea cyanobiont' 210A, RNA, ...
Authors:Chang, L, Wang, S.
Deposit date:2022-12-07
Release date:2023-08-09
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (3.13 Å)
Cite:Molecular mechanism for Tn7-like transposon recruitment by a type I-B CRISPR effector.
Cell, 186, 2023

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PDB entries from 2024-10-09

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