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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
6SMF
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BU of 6smf by Molmil
THE CRYSTAL STRUCTURE OF TYPE II DEHYDROQUINASE FROM ZYMOMONAS MOBILIS
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-dehydroquinate dehydratase, CITRATE ANION, ...
Authors:Lapthorn, A.J, Roszak, A.W.
Deposit date:2019-08-21
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.343 Å)
Cite:Biomacromolecular charge chirality detected using chiral plasmonic nanostructures
Nanoscale Horiz., 2020
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
5CLP
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BU of 5clp by Molmil
Crystal Structure of CK2alpha with 3,4-dichlorophenethylamine bound
Descriptor: 2-(3,4-dichlorophenyl)ethanamine, ACETATE ION, Casein kinase II subunit alpha
Authors:Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M.
Deposit date:2015-07-16
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.684 Å)
Cite:Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
6SME
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BU of 6sme by Molmil
THE CRYSTAL STRUCTURE OF TYPE II DEHYDROQUINASE FROM PROPIONIBACTERIUM ACNES
Descriptor: 3-dehydroquinate dehydratase, GLYCEROL, SULFATE ION
Authors:Lapthorn, A.J, Roszak, A.W.
Deposit date:2019-08-21
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Biomacromolecular charge chirality detected using chiral plasmonic nanostructures
Nanoscale Horiz., 2020
5CSV
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BU of 5csv by Molmil
Crystal Structure of CK2alpha with Compound 6 bound
Descriptor: 3-AMINOBENZOIC ACID, ACETATE ION, Casein kinase II subunit alpha
Authors:Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M.
Deposit date:2015-07-23
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.375 Å)
Cite:Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
5CU4
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BU of 5cu4 by Molmil
Crystal structure of CK2alpha bound to CAM4066
Descriptor: ACETATE ION, Casein kinase II subunit alpha, N-[(2-chlorobiphenyl-4-yl)methyl]-beta-alanyl-N-(3-carboxyphenyl)-beta-alaninamide
Authors:Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M.
Deposit date:2015-07-24
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
5CVG
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BU of 5cvg by Molmil
Crystal Structure of CK2alpha with a novel closed conformation of the aD loop
Descriptor: ACETATE ION, Casein kinase II subunit alpha
Authors:Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M.
Deposit date:2015-07-26
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
5CS6
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BU of 5cs6 by Molmil
Crystal Structure of CK2alpha with Compound 3 bound
Descriptor: 1-(3-chloro-4-propoxyphenyl)methanamine, ACETATE ION, Casein kinase II subunit alpha, ...
Authors:Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M.
Deposit date:2015-07-23
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
5CU6
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BU of 5cu6 by Molmil
Crystal Structure of CK2alpha
Descriptor: ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha
Authors:Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M.
Deposit date:2015-07-24
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 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
5CSP
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BU of 5csp by Molmil
Crystal Structure of CK2alpha with Compound 5 bound
Descriptor: 2-hydroxy-5-methylbenzoic acid, ACETATE ION, Casein kinase II subunit alpha
Authors:Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M.
Deposit date:2015-07-23
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
5CU3
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BU of 5cu3 by Molmil
Crystal structure of CK2alpha bound to CAM4066
Descriptor: ACETATE ION, Casein kinase II subunit alpha, DIMETHYL SULFOXIDE, ...
Authors:Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M.
Deposit date:2015-07-24
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.787 Å)
Cite:Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
5CSH
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BU of 5csh by Molmil
Crystal Structure of CK2alpha with Compound 4 bound
Descriptor: 1-(2-chlorobiphenyl-4-yl)methanamine, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M.
Deposit date:2015-07-23
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
5CVF
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BU of 5cvf by Molmil
Crystal Structure of CK2alpha with Compound 5 bound
Descriptor: 1-[3-chloro-4-(trifluoromethoxy)phenyl]methanamine, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M.
Deposit date:2015-07-26
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
5CVH
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BU of 5cvh by Molmil
Crystal Structure of CK2alpha
Descriptor: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha, ...
Authors:Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M.
Deposit date:2015-07-26
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.848 Å)
Cite:Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
6NMA
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BU of 6nma by Molmil
CryoEM structure of the LbCas12a-crRNA-AcrVA4 complex
Descriptor: AcrVA1, Cpf1, MAGNESIUM ION, ...
Authors:Chang, L, Li, Z, Zhang, H.
Deposit date:2019-01-10
Release date:2019-06-12
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.38 Å)
Cite:Structural Basis for the Inhibition of CRISPR-Cas12a by Anti-CRISPR Proteins.
Cell Host Microbe, 25, 2019
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
6NME
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BU of 6nme by Molmil
Structure of LbCas12a-crRNA
Descriptor: Cpf1, MAGNESIUM ION, crRNA
Authors:Chang, L, Li, Z, Zhang, H.
Deposit date:2019-01-10
Release date:2019-06-12
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (5.67 Å)
Cite:Structural Basis for the Inhibition of CRISPR-Cas12a by Anti-CRISPR Proteins.
Cell Host Microbe, 25, 2019
6NM9
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BU of 6nm9 by Molmil
CryoEM structure of the LbCas12a-crRNA-AcrVA4 dimer
Descriptor: AcrVA4, Cpf1, MAGNESIUM ION, ...
Authors:Chang, L, Li, Z, Zhang, H.
Deposit date:2019-01-10
Release date:2019-06-12
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.38 Å)
Cite:Structural Basis for the Inhibition of CRISPR-Cas12a by Anti-CRISPR Proteins.
Cell Host Microbe, 25, 2019
7ZT0
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BU of 7zt0 by Molmil
Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor
Descriptor: 1-(2-piperazin-1-ylethyl)-5-pyridin-4-yl-indole-2-carboxamide, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Snee, M, Katariya, M, Levy, C, Leys, D.
Deposit date:2022-05-09
Release date:2023-04-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
7ZQR
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BU of 7zqr by Molmil
Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor
Descriptor: 4-(4-methoxyphenyl)pyridine, CHLORIDE ION, GLYCEROL, ...
Authors:Snee, M, Katariya, M, Tunnicliffe, R, Levy, C, Leys, D.
Deposit date:2022-05-02
Release date:2023-04-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
7ZXD
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BU of 7zxd by Molmil
Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor
Descriptor: 1-[1-(2-piperidin-4-ylethyl)-5-pyridin-4-yl-indol-2-yl]butan-1-one, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Snee, M, Katariya, M, Levy, C, Leys, D.
Deposit date:2022-05-20
Release date:2023-04-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023

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