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5FDX
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BU of 5fdx by Molmil
Structure of DDR1 receptor tyrosine kinase in complex with D2164 inhibitor at 2.65 Angstroms resolution.
Descriptor: 1,2-ETHANEDIOL, 3-[(4-methylpiperazin-1-yl)methyl]-~{N}-[(4~{R})-4-methyl-2-pyrimidin-5-yl-3,4-dihydro-1~{H}-isoquinolin-7-yl]-5-(trifluoromethyl)benzamide, DI(HYDROXYETHYL)ETHER, ...
Authors:Bartual, S.G, Pinkas, D.M, Wang, Z, Ding, K, Mahajan, P, Kupinska, K, Mukhopadhyay, S, Strain-Damerell, C, Chalk, R, Borkowska, O, Talon, R, Kopec, J, Williams, E, Tallant, C, Chaikuad, A, Sorell, F, Newman, J, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
Deposit date:2015-12-16
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure of DDR1 receptor tyrosine kinase in complex with D2164 inhibitor at 2.65 Angstroms resolution.
To Be Published
5O1P
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BU of 5o1p by Molmil
Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase.
Descriptor: 1,2-ETHANEDIOL, Alpha-aminoadipic semialdehyde synthase, mitochondrial, ...
Authors:Kopec, J, Rembeza, E, Pena, I.A, Williams, E, Velupillai, S, Kupinska, K, Strain-Damerell, C, Goubin, S, Talon, R, Collins, P, Krojer, T, Burgess-Brown, N, Arrowsmith, C, Edwards, A, Bountra, C, von Delft, F, Arruda, P, Yue, W.W.
Deposit date:2017-05-18
Release date:2017-06-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase.
To Be Published
8Q34
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BU of 8q34 by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with the ligand ZZ001229a
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(1~{H}-imidazo[4,5-b]pyridin-2-ylmethyl)-3-(3-methyl-1,2-diazirin-3-yl)propanamide
Authors:MacLean, E.M, Gao, Q, Williams, E, Balcomb, B.H, von Delft, F, Bajusz, D, Keeley, A, Abranyi-Balogh, P, Koekemoer, L, Keseru, G.M.
Deposit date:2023-08-03
Release date:2024-02-07
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Mapping protein binding sites by photoreactive fragment pharmacophores
Res Sq, 2023
8QUD
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BU of 8qud by Molmil
Cryo-EM Structure of Human Kv3.1 in Complex with Modulator AUT5
Descriptor: (5R)-5-ethyl-3-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridin-3-yl)imidazolidine-2,4-dione, 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, CHOLESTEROL HEMISUCCINATE, ...
Authors:Chi, G, Mckinley, G, Marsden, B, Pike, A.C.W, Ye, M, Brooke, L.M, Bakshi, S, Lakshminarayana, B, Pilati, N, Marasco, A, Gunthorpe, M, Alvaro, G.S, Large, C.H, Williams, E, Sauer, D.B.
Deposit date:2023-10-16
Release date:2024-04-03
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:The binding and mechanism of a positive allosteric modulator of Kv3 channels.
Nat Commun, 15, 2024
8QUC
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BU of 8quc by Molmil
Cryo-EM Structure of Human Kv3.1 in Complex with Modulator AUT1
Descriptor: (5R)-5-ethyl-3-[6-(3-methoxy-4-methyl-phenoxy)pyridin-3-yl]imidazolidine-2,4-dione, 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, CHOLESTEROL HEMISUCCINATE, ...
Authors:Chi, G, Mckinley, G, Marsden, B, Pike, A.C.W, Ye, M, Brooke, L.M, Bakshi, S, Pilati, N, Marasco, A, Gunthorpe, M, Alvaro, G, Large, C, Lakshminaraya, B, Williams, E, Sauer, D.B.
Deposit date:2023-10-16
Release date:2024-04-03
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:The binding and mechanism of a positive allosteric modulator of Kv3 channels.
Nat Commun, 15, 2024
4CH9
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BU of 4ch9 by Molmil
Crystal structure of the human KLHL3 Kelch domain in complex with a WNK4 peptide
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, KELCH-LIKE PROTEIN 3, ...
Authors:Sorrell, F.J, Schumacher, F.R, Kurz, T, Alessi, D.R, Newman, J, Goubin, S, Chalk, R, Kopec, J, Tallant, C, Williams, E, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
Deposit date:2013-11-29
Release date:2014-01-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structural and Biochemical Characterisation of the Klhl3-Wnk Kinase Interaction Important in Blood Pressure Regulation.
Biochem.J., 460, 2014
4CHB
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BU of 4chb by Molmil
Crystal structure of the human KLHL2 Kelch domain in complex with a WNK4 peptide
Descriptor: 1,2-ETHANEDIOL, DODECAETHYLENE GLYCOL, KELCH-LIKE PROTEIN 2, ...
Authors:Sorrell, F.J, Schumacher, F.R, Kurz, T, Alessi, D.R, Newman, J, Cooper, C.D.O, Canning, P, Kopec, J, Williams, E, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
Deposit date:2013-11-29
Release date:2014-01-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Structural and Biochemical Characterisation of the Klhl3-Wnk Kinase Interaction Important in Blood Pressure Regulation.
Biochem.J., 460, 2014
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數據於2024-05-15公開中

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