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2WD2
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BU of 2wd2 by Molmil
A chimeric microtubule disruptor with efficacy on a taxane resistant cell line
Descriptor: 7-methoxy-2-(3-methoxybenzyl)-1,2,3,4-tetrahydroisoquinolin-6-yl sulfamate, CARBONIC ANHYDRASE 2, FORMIC ACID, ...
Authors:Leese, M.P, Jourdan, F.L, Kimberley, M.R, Cozier, G.E, Regis-Lydi, S, Foster, P.A, Newman, S.P, Thiyagarajan, N, Acharya, K.R, Ferrandis, E, Purohit, A, Reed, M.J, Potter, B.V.L.
Deposit date:2009-03-19
Release date:2010-03-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Chimeric Microtubule Disruptors.
Chem.Commun.(Camb.), 46, 2010
3BET
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BU of 3bet by Molmil
Crystal structure of the human carbonic anhydrase II in complex with STX 641 at 1.85 angstroms resolution
Descriptor: (17beta)-17-(cyanomethyl)-2-methoxyestra-1(10),2,4-trien-3-yl sulfamate, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Di Fiore, A, De Simone, G.
Deposit date:2007-11-20
Release date:2008-10-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-activity relationships of C-17 cyano-substituted estratrienes as anticancer agents
J.Med.Chem., 51, 2008
3C7P
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BU of 3c7p by Molmil
Crystal structure of human carbonic anhydrase II in complex with STX237
Descriptor: (4aS,4bR,10bS,12aS)-12a-methyl-1,3-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydronaphtho[2,1-f]isoquinolin-8-yl sulfamate, CHLORIDE ION, Carbonic anhydrase 2, ...
Authors:Di Fiore, A, De Simone, G.
Deposit date:2008-02-08
Release date:2009-01-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Anticancer steroid sulfatase inhibitors: synthesis of a potent fluorinated second-generation agent, in vitro and in vivo activities, molecular modeling, and protein crystallography
Mol.Cancer Ther., 7, 2008
2GD8
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BU of 2gd8 by Molmil
Crystal structure analysis of the human carbonic anhydrase II in complex with a 2-substituted estradiol bis-sulfamate
Descriptor: (9BETA,13ALPHA,14BETA,17ALPHA)-2-METHOXYESTRA-1,3,5(10)-TRIENE-3,17-DIYL DISULFAMATE, CHLORIDE ION, Carbonic anhydrase 2, ...
Authors:De Simone, G, Di Fiore, A.
Deposit date:2006-03-15
Release date:2007-02-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:2-substituted estradiol bis-sulfamates, multitargeted antitumor agents: synthesis, in vitro SAR, protein crystallography, and in vivo activity.
J.Med.Chem., 49, 2006

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