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4J53
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BU of 4j53 by Molmil
Crystal structure of PLK1 in complex with TAK-960
分子名称: 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-2-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide, ACETATE ION, Serine/threonine-protein kinase PLK1, ...
著者Hosfield, D.J, Skene, R.J.
登録日2013-02-07
公開日2013-05-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of TAK-960: An orally available small molecule inhibitor of polo-like kinase 1 (PLK1).
Bioorg.Med.Chem.Lett., 23, 2013
7UVB
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BU of 7uvb by Molmil
CRYSTAL STRUCTURE OF CARBONMONOXY HEMOGLOBIN S (LIGANDED SICKLE CELL HEMOGLOBIN) COMPLEXED WITH GBT021601
分子名称: 2-hydroxy-6-({(3S)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]morpholin-3-yl}methoxy)benzaldehyde, FORMYL GROUP, Hemoglobin subunit alpha, ...
著者Partridge, J.R, Kaya, E, Xu, Q, Li, Z, Strutt, S.C, Cathers, B.E.
登録日2022-04-29
公開日2023-04-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献GBT021601 improves red blood cell health and the pathophysiology of sickle cell disease in a murine model.
Br.J.Haematol., 202, 2023
8GMN
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BU of 8gmn by Molmil
Crystal structure of human C1s in complex with inhibitor
分子名称: Complement C1s subcomponent, SULFATE ION, [4-(1-aminophthalazin-6-yl)piperazin-1-yl](2-methylphenyl)methanone
著者Dougan, D.R, Lane, W.
登録日2023-03-26
公開日2023-05-17
最終更新日2023-05-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of a Novel Series of Potent, Selective, Orally Available, and Brain-Penetrable C1s Inhibitors for Modulation of the Complement Pathway.
J.Med.Chem., 66, 2023
6W4Z
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BU of 6w4z by Molmil
Galectin-8N terminal domain in complex with Methyl 3-O-[3-O-benzyloxy]-malonyl-beta-D-galactopyranoside
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Galectin-8, ...
著者Patel, B, Kishor, C, Blanchard, H.
登録日2020-03-12
公開日2020-09-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Rational Design and Synthesis of Methyl-beta-d-galactomalonyl Phenyl Esters as Potent Galectin-8 N Antagonists.
J.Med.Chem., 63, 2020
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件を2024-07-31に公開中

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