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6HD6
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BU of 6hd6 by Molmil
ABL1 IN COMPLEX WITH COMPOUND6 AND IMATINIB (STI-571)
Descriptor: 3-(morpholin-4-ylmethyl)-~{N}-[4-(trifluoromethyloxy)phenyl]benzamide, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, CHLORIDE ION, ...
Authors:Cowan-Jacob, S.W.
Deposit date:2018-08-17
Release date:2018-09-12
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of Asciminib (ABL001), an Allosteric Inhibitor of the Tyrosine Kinase Activity of BCR-ABL1.
J. Med. Chem., 61, 2018
5T92
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BU of 5t92 by Molmil
ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH (2E)-3-{4-[(1R)-2-(4-fluorophenyl)-6-hydroxy-1-methy l-1,2,3,4- tetrahydroisoquinolin-1-yl]phenyl}prop-2-enoic acid
Descriptor: (2E)-3-{4-[(1R)-2-(4-fluorophenyl)-6-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]phenyl}prop-2-enoic acid, Estrogen receptor
Authors:Kirby, C, Baird, J.
Deposit date:2016-09-09
Release date:2017-03-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Discovery of an Acrylic Acid Based Tetrahydroisoquinoline as an Orally Bioavailable Selective Estrogen Receptor Degrader for ER alpha + Breast Cancer.
J. Med. Chem., 60, 2017
5T97
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BU of 5t97 by Molmil
ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH (2E)-3-(4-{(1R)-6-hydroxy-1-methyl-2-[4-(propan-2 -yl)phenyl]-1,2,3,4- tetrahydroisoquinolin-1-yl}phenyl)prop-2-enoic acid
Descriptor: (2E)-3-(4-{(1R)-6-hydroxy-1-methyl-2-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}phenyl)prop-2-enoic acid, Estrogen receptor
Authors:Kirby, C.A, Baird, J.
Deposit date:2016-09-09
Release date:2017-03-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Discovery of an Acrylic Acid Based Tetrahydroisoquinoline as an Orally Bioavailable Selective Estrogen Receptor Degrader for ER alpha + Breast Cancer.
J. Med. Chem., 60, 2017
2F8W
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BU of 2f8w by Molmil
Crystal structure of d(CACGTG)2
Descriptor: 1,3-DIAMINOPROPANE, 5'-D(*CP*AP*CP*GP*TP*G)-3', SPERMINE
Authors:Narayana, N, Shamala, N, Ganesh, K.N, Viswamitra, M.A.
Deposit date:2005-12-04
Release date:2006-01-31
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Interaction between the Z-Type DNA Duplex and 1,3-Propanediamine: Crystal Structure of d(CACGTG)2 at 1.2 A Resolution
Biochemistry, 45, 2006
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