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3CFW
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BU of 3cfw by Molmil
L-selectin lectin and EGF domains
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, L-selectin, ...
Authors:Mehta, P, Oganesyan, V, Terzyan, S, Mather, T, McEver, R.P.
Deposit date:2008-03-04
Release date:2008-03-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Glycan Bound to the Selectin Low Affinity State Engages Glu-88 to Stabilize the High Affinity State under Force.
J.Biol.Chem., 292, 2017
6DUM
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BU of 6dum by Molmil
ALDH1A1 N121S in complex with 6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (compound 13g)
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, ...
Authors:Buchman, C.D, Hurley, T.D.
Deposit date:2018-06-21
Release date:2019-05-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Based Optimization of a Novel Class of Aldehyde Dehydrogenase 1A (ALDH1A) Subfamily-Selective Inhibitors as Potential Adjuncts to Ovarian Cancer Chemotherapy.
J.Med.Chem., 61, 2018
3EKR
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BU of 3ekr by Molmil
Dihydroxylphenyl amides as inhibitors of the Hsp90 molecular chaperone
Descriptor: 4-{[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol, Heat shock protein HSP 90-alpha, PHOSPHATE ION
Authors:Gajiwala, K.S.
Deposit date:2008-09-19
Release date:2008-11-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Dihydroxylphenyl amides as inhibitors of the Hsp90 molecular chaperone.
Bioorg.Med.Chem.Lett., 18, 2008
3EKO
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BU of 3eko by Molmil
Dihydroxylphenyl amides as inhibitors of the Hsp90 molecular chaperone
Descriptor: 2-(1H-pyrrol-1-ylcarbonyl)benzene-1,3,5-triol, Heat shock protein HSP 90-alpha, PHOSPHATE ION
Authors:Gajiwala, K.S.
Deposit date:2008-09-19
Release date:2008-11-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Dihydroxylphenyl amides as inhibitors of the Hsp90 molecular chaperone.
Bioorg.Med.Chem.Lett., 18, 2008
3K98
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BU of 3k98 by Molmil
HSP90 N-terminal domain in complex with (1R)-2-(5-chloro-2,4-dihydroxybenzoyl)-N-ethylisoindoline-1-carboxamide
Descriptor: (1R)-2-[(5-chloro-2,4-dihydroxyphenyl)carbonyl]-N-ethyl-2,3-dihydro-1H-isoindole-1-carboxamide, Heat shock protein HSP 90-alpha, PHOSPHATE ION
Authors:Gajiwala, K.S, Davies II, J.F.
Deposit date:2009-10-15
Release date:2010-02-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Dihydroxyphenylisoindoline amides as orally bioavailable inhibitors of the heat shock protein 90 (hsp90) molecular chaperone.
J.Med.Chem., 53, 2010
3K99
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BU of 3k99 by Molmil
HSP90 N-terminal domain in complex with 4-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)benzene-1,3-diol
Descriptor: 4-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)benzene-1,3-diol, Heat shock protein HSP 90-alpha
Authors:Gajiwala, K.S, Davies II, J.F.
Deposit date:2009-10-15
Release date:2010-02-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Dihydroxyphenylisoindoline amides as orally bioavailable inhibitors of the heat shock protein 90 (hsp90) molecular chaperone.
J.Med.Chem., 53, 2010
3K97
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BU of 3k97 by Molmil
HSP90 N-terminal domain in complex with 4-chloro-6-{[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol
Descriptor: 4-chloro-6-{[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol, DIMETHYL SULFOXIDE, Heat shock protein HSP 90-alpha
Authors:Gajiwala, K.S.
Deposit date:2009-10-15
Release date:2010-02-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Dihydroxyphenylisoindoline amides as orally bioavailable inhibitors of the heat shock protein 90 (hsp90) molecular chaperone.
J.Med.Chem., 53, 2010

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