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8J64
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BU of 8j64 by Molmil
Crystal structure of Toxoplasma gondii MIC2-M2AP complex
Descriptor: MIC2-associated protein, Micronemal protein MIC2
Authors:Zhang, S, Wang, F.F, Zhang, D.J, Song, G.J, Springer, T.A.
Deposit date:2023-04-24
Release date:2023-08-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insights into MIC2 recognition by MIC2-associated protein in Toxoplasma gondii.
Commun Biol, 6, 2023
7YO8
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BU of 7yo8 by Molmil
Crystal structure of fission yeast Hfl1 LIR fused to human GABARAPL2
Descriptor: Transmembrane protein 184 homolog C30D11.06c,Gamma-aminobutyric acid receptor-associated protein-like 2
Authors:Yamasaki, A, Noda, N.N.
Deposit date:2022-08-01
Release date:2022-11-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.805 Å)
Cite:Development of new tools to study membrane-anchored mammalian Atg8 proteins.
Autophagy, 19, 2023
7YO9
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BU of 7yo9 by Molmil
Crystal structure of fusion protein of human TP53INP2 LIR and human GABARAP
Descriptor: ISOPROPYL ALCOHOL, PHOSPHATE ION, Tumor protein p53-inducible nuclear protein 2,Gamma-aminobutyric acid receptor-associated protein
Authors:Yamasaki, A, Noda, N.N.
Deposit date:2022-08-01
Release date:2022-11-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Development of new tools to study membrane-anchored mammalian Atg8 proteins.
Autophagy, 19, 2023
5T31
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BU of 5t31 by Molmil
Exploiting an Asp-Glu switch in Glycogen Synthase Kinase 3 to design paralog selective inhibitors for use in acute myeloid leukemia
Descriptor: (4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta
Authors:Stein, A.J, Holson, E.B, Wagner, F.F, Cambell, A.J.
Deposit date:2016-08-24
Release date:2018-02-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Exploiting an Asp-Glu "switch" in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia.
Sci Transl Med, 10, 2018
4ZO1
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BU of 4zo1 by Molmil
Crystal Structure of the T3-bound TR-beta Ligand-binding Domain in complex with RXR-alpha
Descriptor: 3,5,3'TRIIODOTHYRONINE, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha, ...
Authors:Bruning, J.B, Kojetin, D.J, Matta-Camacho, E, Hughes, T.S, Srinivasan, S, Nwachukwu, J.C, Cavett, V, Nowak, J, Chalmers, M.J, Marciano, D.P, Kamenecka, T.M, Rance, M, Shulman, A.I, Mangelsdorf, D.J, Griffin, P.R, Nettles, K.W.
Deposit date:2015-05-05
Release date:2015-09-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.221 Å)
Cite:Structural mechanism for signal transduction in RXR nuclear receptor heterodimers.
Nat Commun, 6, 2015
3B5R
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BU of 3b5r by Molmil
Crystal structure of the androgen receptor ligand binding domain in complex with SARM C-31
Descriptor: (2S)-3-(4-chloro-3-fluorophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide, Androgen receptor
Authors:Bohl, C.E, Miller, D.D, Dalton, J.T.
Deposit date:2007-10-26
Release date:2008-09-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Effect of B-ring substitution pattern on binding mode of propionamide selective androgen receptor modulators
Bioorg.Med.Chem.Lett., 18, 2008
3B66
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BU of 3b66 by Molmil
Crystal structure of the androgen receptor ligand binding domain in complex with SARM S-21
Descriptor: 4-{[(1R,2S)-1,2-dihydroxy-2-methyl-3-(4-nitrophenoxy)propyl]amino}-2-(trifluoromethyl)benzonitrile, Androgen receptor
Authors:Bohl, C.E, Miller, D.D, Dalton, J.T.
Deposit date:2007-10-27
Release date:2008-09-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Effect of B-ring substitution pattern on binding mode of propionamide selective androgen receptor modulators
Bioorg.Med.Chem.Lett., 18, 2008
3B67
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BU of 3b67 by Molmil
Crystal structure of the androgen receptor ligand binding domain in complex with SARM C-23
Descriptor: (2S)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-(pentafluorophenoxy)propanamide, Androgen receptor
Authors:Bohl, C.E, Miller, D.D, Dalton, J.T.
Deposit date:2007-10-27
Release date:2008-09-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Effect of B-ring substitution pattern on binding mode of propionamide selective androgen receptor modulators
Bioorg.Med.Chem.Lett., 18, 2008
3B65
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BU of 3b65 by Molmil
Crystal structure of the androgen receptor ligand binding domain in complex with SARM S-24
Descriptor: (2S)-N-(4-cyano-3-iodophenyl)-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide, Androgen receptor
Authors:Bohl, C.E, Miller, D.D, Dalton, J.T.
Deposit date:2007-10-27
Release date:2008-09-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Effect of B-ring substitution pattern on binding mode of propionamide selective androgen receptor modulators
Bioorg.Med.Chem.Lett., 18, 2008
3B68
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BU of 3b68 by Molmil
Crystal structure of the androgen receptor ligand binding domain in complex with SARM S-4
Descriptor: (2S)-3-[4-(acetylamino)phenoxy]-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide, Androgen receptor
Authors:Bohl, C.E, Miller, D.D, Dalton, J.T.
Deposit date:2007-10-27
Release date:2008-09-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Effect of B-ring substitution pattern on binding mode of propionamide selective androgen receptor modulators
Bioorg.Med.Chem.Lett., 18, 2008
4PKU
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BU of 4pku by Molmil
Anthrax toxin lethal factor with bound small molecule inhibitor 15
Descriptor: Lethal factor, N~2~-(3-aminobenzyl)-N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-D-alaninamide, ZINC ION
Authors:Maize, K.M, De la Mora, T, Finzel, B.C.
Deposit date:2014-05-15
Release date:2014-11-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Anthrax toxin lethal factor domain 3 is highly mobile and responsive to ligand binding.
Acta Crystallogr.,Sect.D, 70, 2014
4PKS
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BU of 4pks by Molmil
Anthrax toxin lethal factor with bound small molecule inhibitor 11
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Lethal factor, ...
Authors:Maize, K.M, De la Mora, T, Finzel, B.C.
Deposit date:2014-05-15
Release date:2014-11-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Anthrax toxin lethal factor domain 3 is highly mobile and responsive to ligand binding.
Acta Crystallogr.,Sect.D, 70, 2014
5SWW
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BU of 5sww by Molmil
Crystal Structure of Human APOBEC3A complexed with ssDNA
Descriptor: DNA 15-Mer, DNA dC->dU-editing enzyme APOBEC-3A, GLYCEROL, ...
Authors:Shi, K, Banerjee, S, Kurahashi, K, Aihara, H.
Deposit date:2016-08-09
Release date:2016-12-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.151 Å)
Cite:Structural basis for targeted DNA cytosine deamination and mutagenesis by APOBEC3A and APOBEC3B.
Nat. Struct. Mol. Biol., 24, 2017
4PKW
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BU of 4pkw by Molmil
Anthrax toxin lethal factor with bound small molecule inhibitor GM6001
Descriptor: 1,2-ETHANEDIOL, 3-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-TRP-METHYLAMIDE, GLYCEROL, ...
Authors:Maize, K.M, De la Mora, T, Finzel, B.C.
Deposit date:2014-05-15
Release date:2014-11-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Anthrax toxin lethal factor domain 3 is highly mobile and responsive to ligand binding.
Acta Crystallogr.,Sect.D, 70, 2014
4PKV
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BU of 4pkv by Molmil
Anthrax toxin lethal factor with bound small molecule inhibitor 16
Descriptor: Lethal factor, N~2~-[4-(aminomethyl)benzyl]-N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-D-alaninamide, ZINC ION
Authors:Maize, K.M, Finzel, B.C.
Deposit date:2014-05-15
Release date:2014-11-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Anthrax toxin lethal factor domain 3 is highly mobile and responsive to ligand binding.
Acta Crystallogr.,Sect.D, 70, 2014
4PKQ
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BU of 4pkq by Molmil
Anthrax toxin lethal factor with bound zinc
Descriptor: 1,2-ETHANEDIOL, Lethal factor, TRIETHYLENE GLYCOL, ...
Authors:Maize, K.M, Finzel, B.C.
Deposit date:2014-05-15
Release date:2014-11-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Anthrax toxin lethal factor domain 3 is highly mobile and responsive to ligand binding.
Acta Crystallogr.,Sect.D, 70, 2014
4PKR
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BU of 4pkr by Molmil
Anthrax toxin lethal factor with bound small molecule inhibitor 10
Descriptor: CHLORIDE ION, GLYCEROL, Lethal factor, ...
Authors:Maize, K.M, De la Mora, T, Finzel, B.C.
Deposit date:2014-05-15
Release date:2014-11-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Anthrax toxin lethal factor domain 3 is highly mobile and responsive to ligand binding.
Acta Crystallogr.,Sect.D, 70, 2014
4PKT
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BU of 4pkt by Molmil
Anthrax toxin lethal factor with bound small molecule inhibitor 13
Descriptor: Lethal factor, N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-N~2~-(4-nitrobenzyl)-D-alaninamide, ZINC ION
Authors:Maize, K.M, De la Mora, T, Finzel, B.C.
Deposit date:2014-05-15
Release date:2014-11-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Anthrax toxin lethal factor domain 3 is highly mobile and responsive to ligand binding.
Acta Crystallogr.,Sect.D, 70, 2014
5TD5
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BU of 5td5 by Molmil
Crystal Structure of Human APOBEC3B variant complexed with ssDNA
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DNA (5'-D(P*TP*TP*CP*AP*T)-3'), ...
Authors:Shi, K, Banerjee, S, Kurahashi, K, Aihara, H.
Deposit date:2016-09-16
Release date:2016-12-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.718 Å)
Cite:Structural basis for targeted DNA cytosine deamination and mutagenesis by APOBEC3A and APOBEC3B.
Nat. Struct. Mol. Biol., 24, 2017
1K4W
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BU of 1k4w by Molmil
X-ray structure of the orphan nuclear receptor ROR beta ligand-binding domain in the active conformation
Descriptor: Nuclear receptor ROR-beta, STEARIC ACID, steroid receptor coactivator-1
Authors:Stehlin, C, Wurtz, J.M, Steinmetz, A, Greiner, E, Schuele, R, Moras, D, Renaud, J.P.
Deposit date:2001-10-09
Release date:2002-04-09
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray structure of the orphan nuclear receptor RORbeta ligand-binding domain in the active conformation.
EMBO J., 20, 2001
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