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8EV1
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BU of 8ev1 by Molmil
Dual Modulators
Descriptor: (3aR,4S,9bS)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide, (3aS,4R,9bR)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide, Estrogen Receptor, ...
Authors:Tinivella, A, Nwachukwu, J.C, Angeli, A, Foschi, F, Benatti, A.L, Pinzi, L, Izard, T, Ferraroni, M, Rangarajan, E.S, Christodoulou, M, Passarella, D, Supuran, C, Nettles, K.W, Rastelli, G.
Deposit date:2022-10-19
Release date:2022-12-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Design, synthesis, biological evaluation and crystal structure determination of dual modulators of carbonic anhydrases and estrogen receptors.
Eur.J.Med.Chem., 246, 2022
8EV2
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BU of 8ev2 by Molmil
Dual Modulators
Descriptor: (3aS,4R,9bR)-4-(2-chloro-4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide, (3~{a}~{R},4~{S},9~{b}~{S})-4-(2-chloranyl-4-oxidanyl-phenyl)-2,3,3~{a},4,5,9~{b}-hexahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide, Estrogen receptor, ...
Authors:Tinivella, A, Nwachukwu, J.C, Angeli, A, Foschi, F, Benatti, A.L, Pinzi, L, Izard, T, Ferraroni, M, Rangarajan, E.S, Christodoulou, M, Passarella, D, Supuran, C, Nettles, K.W, Rastelli, G.
Deposit date:2022-10-19
Release date:2022-12-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Design, synthesis, biological evaluation and crystal structure determination of dual modulators of carbonic anhydrases and estrogen receptors.
Eur.J.Med.Chem., 246, 2022
7B0Z
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BU of 7b0z by Molmil
Crystal Structure of human monoamine oxidase B in complex with (E)-3-phenyl-1-(4-(trifluoromethyl)phenyl)prop-2-en-1-one
Descriptor: (E)-3-phenyl-1-(4-(trifluoromethyl)phenyl)prop-2-en-1-one, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Iacovino, L.G, Binda, C.
Deposit date:2020-11-23
Release date:2021-11-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Promising Non-cytotoxic Monosubstituted Chalcones to Target Monoamine Oxidase-B.
Acs Med.Chem.Lett., 12, 2021
7B0V
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BU of 7b0v by Molmil
Crystal Structure of human monoamine oxidase B in complex with (E)-3-phenyl-1-(3-(trifluoromethyl)phenyl)prop-2-en-1-one
Descriptor: (E)-3-phenyl-1-(3-(trifluoromethyl)phenyl)prop-2-en-1-one, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Iacovino, L.G, Binda, C.
Deposit date:2020-11-23
Release date:2021-11-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Promising Non-cytotoxic Monosubstituted Chalcones to Target Monoamine Oxidase-B.
Acs Med.Chem.Lett., 12, 2021

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