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6SP1
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BU of 6sp1 by Molmil
KEAP1 IN COMPLEX WITH COMPOUND 6
Descriptor: (1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclohexane-1-carboxylic acid, ACETATE ION, Kelch-like ECH-associated protein 1
Authors:Ontoria, J.M, Biancofiore, I, Fezzardi, P, Torrente de Haro, E, Colarusso, S, Bianchi, E, Andreini, M, Patsilinakos, A, Summa, V, Pacifici, R, Munoz-Sanjuan, I, Park, L, Bresciani, A, Dominguez, C, Toledo-Sherman, L, Harper, S.
Deposit date:2019-08-30
Release date:2020-06-03
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Combined Peptide and Small-Molecule Approach toward Nonacidic THIQ Inhibitors of the KEAP1/NRF2 Interaction.
Acs Med.Chem.Lett., 11, 2020
6SP4
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BU of 6sp4 by Molmil
KEAP1 IN COMPLEX WITH COMPOUND 23
Descriptor: (1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclobutane-1-carboxamide, Kelch-like ECH-associated protein 1
Authors:Ontoria, J.M, Biancofiore, I, Fezzardi, P, Torrente de Haro, E, Colarusso, S, Bianchi, E, Andreini, M, Patsilinakos, A, Summa, V, Pacifici, R, Munoz-Sanjuan, I, Park, L, Bresciani, A, Dominguez, C, Toledo-Sherman, L, Harper, S.
Deposit date:2019-08-30
Release date:2020-06-03
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Combined Peptide and Small-Molecule Approach toward Nonacidic THIQ Inhibitors of the KEAP1/NRF2 Interaction.
Acs Med.Chem.Lett., 11, 2020
6GOU
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BU of 6gou by Molmil
Development of Alkyl Glycerone Phosphate Synthase Inhibitors: Complex with Inhibitor 2I
Descriptor: (3~{S})-3-[2,6-bis(fluoranyl)phenyl]-~{N}-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)methyl]butanamide, Alkyldihydroxyacetonephosphate synthase, peroxisomal, ...
Authors:Mattevi, A, Piano, V.
Deposit date:2018-06-04
Release date:2019-01-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Development of alkyl glycerone phosphate synthase inhibitors: Structure-activity relationship and effects on ether lipids and epithelial-mesenchymal transition in cancer cells.
Eur J Med Chem, 163, 2018
7YYF
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BU of 7yyf by Molmil
Orthorombic crystal structure of YTHDF1 YTH domain (G459N mutant) form II
Descriptor: YTH domain-containing family protein 1
Authors:Dalle Vedove, A, Cazzanelli, G, Lolli, G.
Deposit date:2022-02-17
Release date:2023-03-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Pliability in the m 6 A-Binding Region Extends Druggability of YTH Domains.
J.Chem.Inf.Model., 2024
7YYJ
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BU of 7yyj by Molmil
Tetragonal crystal structure of YTHDF1 YTH domain (544AVV546 mutant)
Descriptor: 1,2-ETHANEDIOL, THIOCYANATE ION, YTH domain-containing family protein 1
Authors:Dalle Vedove, A, Cazzanelli, G, Lolli, G.
Deposit date:2022-02-18
Release date:2023-03-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Pliability in the m 6 A-Binding Region Extends Druggability of YTH Domains.
J.Chem.Inf.Model., 2024
7YZ8
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BU of 7yz8 by Molmil
Triclinic crystal structure of YTHDF1 YTH domain (544AVV546 mutant)
Descriptor: THIOCYANATE ION, YTH domain-containing family protein 1
Authors:Dalle Vedove, A, Cazzanelli, G, Lolli, G.
Deposit date:2022-02-19
Release date:2023-03-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Pliability in the m 6 A-Binding Region Extends Druggability of YTH Domains.
J.Chem.Inf.Model., 2024
7YYE
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BU of 7yye by Molmil
Orthorombic crystal structure of YTHDF1 YTH domain (G459N mutant) form I
Descriptor: 1,2-ETHANEDIOL, MALONIC ACID, YTH domain-containing family protein 1
Authors:Dalle Vedove, A, Cazzanelli, G, Lolli, G.
Deposit date:2022-02-17
Release date:2023-03-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Pliability in the m 6 A-Binding Region Extends Druggability of YTH Domains.
J.Chem.Inf.Model., 2024

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PDB entries from 2024-07-10

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