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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
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
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
8R6M
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BU of 8r6m by Molmil
Crystal structure of Candida glabrata Bdf1 bromodomain 2 bound to I-BET151
Descriptor: 7-(3,5-DIMETHYL-1,2-OXAZOL-4-YL)-8-METHOXY-1-[(1R)-1-(PYRIDIN-2-YL)ETHYL]-1H,2H,3H-IMIDAZO[4,5-C]QUINOLIN-2-ONE, Candida glabrata strain CBS138 chromosome C complete sequence, GLYCEROL, ...
Authors:Petosa, C, Wei, K, McKenna, C.E, Govin, J.
Deposit date:2023-11-22
Release date:2024-10-30
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Humanized Candida and NanoBiT Assays Expedite Discovery of Bdf1 Bromodomain Inhibitors With Antifungal Potential.
Adv Sci, 12, 2025
8R6K
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BU of 8r6k by Molmil
Crystal structure of Candida glabrata Bdf1 bromodomain 1 bound to a phenyltriazine ligand
Descriptor: 6-methyl-~{N}-[(5-methylfuran-2-yl)methyl]-3-(4-methylphenyl)-1,2,4-triazin-5-amine, Candida glabrata strain CBS138 chromosome C complete sequence, PHOSPHATE ION, ...
Authors:Petosa, C, Wei, K, McKenna, C.E, Govin, J.
Deposit date:2023-11-22
Release date:2024-10-30
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Humanized Candida and NanoBiT Assays Expedite Discovery of Bdf1 Bromodomain Inhibitors With Antifungal Potential.
Adv Sci, 12, 2025
8R6L
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BU of 8r6l by Molmil
Crystal structure of Candida glabrata Bdf1 bromodomain 2 in the unbound state
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, Candida glabrata strain CBS138 chromosome C complete sequence, ...
Authors:Petosa, C, Wei, K, McKenna, C.E, Govin, J.
Deposit date:2023-11-22
Release date:2024-10-30
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Humanized Candida and NanoBiT Assays Expedite Discovery of Bdf1 Bromodomain Inhibitors With Antifungal Potential.
Adv Sci, 12, 2025
8R6N
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BU of 8r6n by Molmil
Crystal structure of Candida glabrata Bdf1 bromodomain 2 bound to a pyridoindole ligand
Descriptor: 2-ethanoyl-~{N}-(4-morpholin-4-ylphenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide, Candida glabrata strain CBS138 chromosome C complete sequence
Authors:Petosa, C, Wei, K, McKenna, C.E, Govin, J.
Deposit date:2023-11-22
Release date:2024-10-30
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Humanized Candida and NanoBiT Assays Expedite Discovery of Bdf1 Bromodomain Inhibitors With Antifungal Potential.
Adv Sci, 12, 2025
8R6J
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BU of 8r6j by Molmil
Crystal structure of Candida glabrata Bdf1 bromodomain 1 bound to a pyrazole ligand
Descriptor: 2-methyl-~{N}-[[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]pyrazole-3-carboxamide, Candida glabrata strain CBS138 chromosome C complete sequence, SULFATE ION
Authors:Petosa, C, Wei, K, McKenna, C.E, Govin, J.
Deposit date:2023-11-22
Release date:2024-10-30
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Humanized Candida and NanoBiT Assays Expedite Discovery of Bdf1 Bromodomain Inhibitors With Antifungal Potential.
Adv Sci, 12, 2025
8R6I
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BU of 8r6i by Molmil
Crystal structure of Candida glabrata Bdf1 bromodomain 1 in the unbound state
Descriptor: Candida glabrata strain CBS138 chromosome C complete sequence
Authors:Petosa, C, Wei, K, McKenna, C.E, Govin, J.
Deposit date:2023-11-22
Release date:2024-10-30
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Humanized Candida and NanoBiT Assays Expedite Discovery of Bdf1 Bromodomain Inhibitors With Antifungal Potential.
Adv Sci, 12, 2025

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