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5O4A
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BU of 5o4a by Molmil
Human FGF in complex with a covalent inhibitor
Descriptor: Fibroblast growth factor receptor 1, GLYCEROL, SULFATE ION, ...
Authors:Debreczeni, J, Breed, J, Mukherjee, H, Aquila, B, Kaiser, C, Tentarelli, S, Whitty, A, Grimster, N.
Deposit date:2017-05-26
Release date:2018-02-07
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:A study of the reactivity of S(VI)-F containing warheads with nucleophilic amino-acid side chains under physiological conditions.
Org. Biomol. Chem., 15, 2017
5O49
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BU of 5o49 by Molmil
Human FGF in complex with a covalent inhibitor
Descriptor: Fibroblast growth factor receptor 1, SULFATE ION, [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 3-fluorosulfonylbenzoate
Authors:Debreczeni, J, Breed, J, Mukherjee, H, Aquila, B, Kaiser, C, Tentarelli, S, Whitty, A, Grimster, N.
Deposit date:2017-05-26
Release date:2018-02-07
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:A study of the reactivity of S(VI)-F containing warheads with nucleophilic amino-acid side chains under physiological conditions.
Org. Biomol. Chem., 15, 2017
4H58
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BU of 4h58 by Molmil
BRAF in complex with compound 3
Descriptor: CHLORIDE ION, N-(4-{[(2-methoxyethyl)amino]methyl}phenyl)-6-(pyridin-4-yl)quinazolin-2-amine, Serine/threonine-protein kinase B-raf
Authors:Vasbinder, M, Aquila, B, Augustin, M, Chueng, T, Cook, D, Drew, L, Fauber, B, Glossop, S, Godin, R, Grondine, M, Hennessy, E, Johannes, J, Lee, S, Lyne, P, Moertl, M, Omer, C, Palakurthi, S, Pontz, T, Read, J, Sha, L, Shen, M, Steinbacher, S, Wang, H, Wu, A, Ye, M, Bagal, B.
Deposit date:2012-09-18
Release date:2013-02-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Discovery and Optimization of a Novel Series of Potent Mutant B-Raf(V600E) Selective Kinase Inhibitors.
J.Med.Chem., 56, 2013
6RNU
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BU of 6rnu by Molmil
BCL-XL in a complex with a covalent small molecule inhibitor
Descriptor: 4-(4-fluorophenyl)-3-fluorosulfonyl-benzoic acid, BROMIDE ION, Bcl-2-like protein 1
Authors:Hargreaves, D.
Deposit date:2019-05-09
Release date:2019-10-02
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery and optimization of covalent Bcl-xL antagonists.
Bioorg.Med.Chem.Lett., 29, 2019
4BB4
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BU of 4bb4 by Molmil
ephB4 kinase domain inhibitor complex
Descriptor: EPHRIN TYPE-B RECEPTOR 4, MAGNESIUM ION, N-(2-methoxyethyl)-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide
Authors:Read, J, Brassington, C.A, Green, I, McCall, E.J, Valentine, A.L.
Deposit date:2012-09-19
Release date:2013-02-27
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Discovery and Optimization of a Novel Series of Potent Mutant B-Raf V600E Selective Kinase Inhibitors.
J.Med.Chem., 56, 2013

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