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5N16
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BU of 5n16 by Molmil
First Bromodomain (BD1) from Candida albicans Bdf1 bound to a dibenzothiazepinone (compound 1)
Descriptor: 5-cyclopropyl-2-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)benzo[b][1,4]benzothiazepin-6-one, Bromodomain-containing factor 1, GLYCEROL, ...
Authors:Mietton, F, Ferri, E, Champleboux, M, Zala, N, Maubon, D, Zhou, Y, Harbut, M, Spittler, D, Garnaud, C, Courcon, M, Chauvel, M, d'Enfert, C, Kashemirov, B.A, Hull, M, Cornet, M, McKenna, C.E, Govin, J, Petosa, C.
Deposit date:2017-02-05
Release date:2017-05-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Selective BET bromodomain inhibition as an antifungal therapeutic strategy.
Nat Commun, 8, 2017
5N13
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BU of 5n13 by Molmil
Second Bromodomain (BD2) from Candida albicans Bdf1 in the unbound form
Descriptor: Bromodomain-containing factor 1, GLYCEROL
Authors:Mietton, F, Ferri, E, Champlebouxm, M, Zala, N, Maubon, D, Zhou, Y, Harbut, M, Spittler, D, Garnaud, C, Courcon, M, Chauvel, M, d'Enfert, C, Kashemirov, B.A, Hull, M, Cornet, M, McKenna, C.E, Govin, J, Petosa, C.
Deposit date:2017-02-04
Release date:2017-05-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Selective BET bromodomain inhibition as an antifungal therapeutic strategy.
Nat Commun, 8, 2017
5N17
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BU of 5n17 by Molmil
First Bromodomain (BD1) from Candida albicans Bdf1 bound to a dibenzothiazepinone (compound 3)
Descriptor: (2~{S})-~{N}-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)oxolane-2-carboxamide, Bromodomain-containing factor 1, SULFATE ION
Authors:Mietton, F, Ferri, E, Champleboux, M, Zala, N, Maubon, D, Zhou, Y, Harbut, M, Spittler, D, Garnaud, C, Courcon, M, Chauvon, M, d'Enfer, C, Kashemirov, B.A, Hull, M, Cornet, M, McKenna, C.E, Govin, J, Petosa, C.
Deposit date:2017-02-05
Release date:2017-05-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Selective BET bromodomain inhibition as an antifungal therapeutic strategy.
Nat Commun, 8, 2017
5N15
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BU of 5n15 by Molmil
First Bromodomain (BD1) from Candida albicans Bdf1 in the unbound form
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Bromodomain-containing factor 1, GLYCEROL, ...
Authors:Mietton, F, Ferri, E, Champleboux, M, Zala, N, Maubon, D, Zhou, Y, Harbut, M, Spittler, D, Garnaud, C, Courcon, M, Chauvel, M, d'Enfert, C, Kashemirov, B.A, Hull, M, Cornet, M, McKenna, C.E, Govin, J, Petosa, C.
Deposit date:2017-02-05
Release date:2017-05-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Selective BET bromodomain inhibition as an antifungal therapeutic strategy.
Nat Commun, 8, 2017
5N18
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BU of 5n18 by Molmil
Second Bromodomain (BD2) from Candida albicans Bdf1 bound to an imidazopyridine (compound 2)
Descriptor: 4-[8-methyl-3-[(4-methylphenyl)amino]imidazo[1,2-a]pyridin-2-yl]phenol, Bromodomain-containing factor 1, GLYCEROL
Authors:Mietton, F, Ferri, E, Champleboux, M, Zala, N, Maubon, D, Zhou, Y, Harbut, M, Spittler, D, Garnaud, C, Courcon, M, Chauvel, M, d'Enfert, C, Kashemirov, B.A, Hull, M, Cornet, M, McKenna, C.E, Govin, J, Petosa, C.
Deposit date:2017-02-05
Release date:2017-05-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Selective BET bromodomain inhibition as an antifungal therapeutic strategy.
Nat Commun, 8, 2017
3G5H
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BU of 3g5h by Molmil
Crystallographic analysis of cytochrome P450 cyp121
Descriptor: (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Belin, P, Le Du, M.H, Gondry, M.
Deposit date:2009-02-05
Release date:2009-04-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Identification and structural basis of the reaction catalyzed by CYP121, an essential cytochrome P450 in Mycobacterium tuberculosis.
Proc.Natl.Acad.Sci.USA, 106, 2009
3G5F
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BU of 3g5f by Molmil
Crystallographic analysis of cytochrome P450 cyp121
Descriptor: Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Belin, P, Le Du, M.H, Gondry, M.
Deposit date:2009-02-05
Release date:2009-04-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Identification and structural basis of the reaction catalyzed by CYP121, an essential cytochrome P450 in Mycobacterium tuberculosis.
Proc.Natl.Acad.Sci.USA, 106, 2009

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