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4LI5
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BU of 4li5 by Molmil
EGFR-K IN COMPLEX WITH N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-4-methoxy-phenyl] Prop-2-enamide
分子名称: Epidermal growth factor receptor, N-(3-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-4-methoxyphenyl)propanamide, SODIUM ION
著者Debreczeni, J.E, Seiffert, G.B, Kiefersauer, R, Augustin, M, Nagel, S, Ward, R, Anderton, M, Ashton, S, Bethel, P, Box, M, Butterworth, S, Colclough, N, Chroley, C, Chuaqui, C, Cross, D, Eberlein, C, Finlay, R, Hill, G, Grist, M, Klinowska, T, Lane, C, Martin, S, Orme, J, Smith, P, Wang, F, Waring, M.
登録日2013-07-02
公開日2013-08-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Structure- and Reactivity-Based Development of Covalent Inhibitors of the Activating and Gatekeeper Mutant Forms of the Epidermal Growth Factor Receptor (EGFR).
J.Med.Chem., 56, 2013
4GV1
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BU of 4gv1 by Molmil
PKB alpha in complex with AZD5363
分子名称: 4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide, GLYCEROL, RAC-alpha serine/threonine-protein kinase
著者Addie, M, Ballard, P, Bird, G, Buttar, D, Currie, G, Davies, B, Debreczeni, J, Dry, H, Dudley, P, Greenwood, R, Hatter, G, Jestel, A, Johnson, P.D, Kettle, J.G, Lane, C, Lamont, G, Leach, A, Luke, R.W.A, Ogilvie, D, Page, K, Pass, M, Steinbacher, S, Steuber, H, Pearson, S, Ruston, L.
登録日2012-08-30
公開日2013-02-27
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Discovery of 4-Amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (AZD5363), an Orally Bioavailable, Potent Inhibitor of Akt Kinases.
J.Med.Chem., 56, 2013
6ZRE
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BU of 6zre by Molmil
Deciphering the role of the channel constrictions in the opening mechanism of MexAB-OprM efflux pump from Pseudomonas aeruginosa
分子名称: Outer membrane protein OprM, PALMITIC ACID, SULFATE ION, ...
著者Ntsogo Enguene, Y.V, Monlezun, L, Ma, M, Garnier, C, Lascombe, M.B, Salem, M, Guenard, S, Plesiat, P, Llanes, C, Phan, G, Broutin, I.
登録日2020-07-13
公開日2021-07-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Deciphering the role of OprM constrictions in the opening mechanism of the MexAB-OprM efflux pump from Pseudomonas aeruginosa.
To Be Published
7AKZ
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BU of 7akz by Molmil
Deciphering the role of the channel constrictions in the opening mechanism of MexAB-OprM efflux pump from Pseudomonas aeruginosa
分子名称: Outer membrane protein OprM, PALMITIC ACID, octyl beta-D-glucopyranoside
著者Ntsogo Enguene, V.Y, Monlezun, L, Ma, M, Garnier, C, Lascombe, M.B, Salem, M, Guenard, S, Plesiat, P, Llanes, C, Phan, G, Broutin, I.
登録日2020-10-02
公開日2022-04-13
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Deciphering the role of the channel constrictions in the opening mechanism of MexAB-OprM efflux pump from Pseudomonas aeruginosa
To Be Published
7AUX
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BU of 7aux by Molmil
Crystal structure of OXA-48 beta-lactamase in the complex with the inhbitor ID2
分子名称: 6-(4-carboxyphenyl)-3-(4-ethylphenyl)-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxylic acid, Beta-lactamase, CHLORIDE ION
著者Pochetti, G, Montanari, R, Capelli, D, Garofalo, B, Ombrato, R.
登録日2020-11-03
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Discovery of Novel Chemical Series of OXA-48 beta-Lactamase Inhibitors by High-Throughput Screening.
Pharmaceuticals, 14, 2021
7AW5
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Crystal structure of OXA-48 beta-lactamase in the complex with the inhibitor ID3
分子名称: 4-[(~{E})-[3-(4-chlorophenyl)-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl]iminomethyl]benzoic acid, Beta-lactamase, CHLORIDE ION
著者Pochetti, G, Montanari, R, Capelli, D, Garofalo, B, Ombrato, R.
登録日2020-11-06
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Discovery of Novel Chemical Series of OXA-48 beta-Lactamase Inhibitors by High-Throughput Screening.
Pharmaceuticals, 14, 2021

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件を2024-11-06に公開中

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