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9EPZ
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BU of 9epz by Molmil
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3337
分子名称: 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ...
著者Kraemer, A, Greco, F, Knapp, S, Structural Genomics Consortium (SGC)
登録日2024-03-20
公開日2024-05-01
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Synthesis and evaluation of chemical linchpins for highly selective CK2 alpha targeting.
Eur.J.Med.Chem., 276, 2024
9EPW
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BU of 9epw by Molmil
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3336
分子名称: Casein kinase II subunit alpha, SULFATE ION, ~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]-2-[1-(3-methylquinolin-8-yl)sulfonylpiperidin-4-yl]ethanamine
著者Kraemer, A, Greco, F, Knapp, S, Structural Genomics Consortium (SGC)
登録日2024-03-20
公開日2024-05-01
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Synthesis and evaluation of chemical linchpins for highly selective CK2 alpha targeting.
Eur.J.Med.Chem., 276, 2024
9EQ1
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BU of 9eq1 by Molmil
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGJM24
分子名称: 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ...
著者Kraemer, A, Greco, F, Moeckel, J, Knapp, S, Structural Genomics Consortium (SGC)
登録日2024-03-20
公開日2024-05-01
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Synthesis and evaluation of chemical linchpins for highly selective CK2 alpha targeting.
Eur.J.Med.Chem., 276, 2024
8VQX
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BU of 8vqx by Molmil
Structure of SARS-CoV-2 main protease with potent peptide aldehyde inhibitor
分子名称: 1,2-ETHANEDIOL, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER, ...
著者Dougan, D.R, Lane, W.
登録日2024-01-19
公開日2024-08-07
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Exploiting high-energy hydration sites for the discovery of potent peptide aldehyde inhibitors of the SARS-CoV-2 main protease with cellular antiviral activity.
Bioorg.Med.Chem., 103, 2024
7AA9
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Structure of SCOC pT13/pT15 LIR motif bound to GABARAPL1
分子名称: Gamma-aminobutyric acid receptor-associated protein-like 1, pT13/PT15 SCOC LIR
著者Lee, R, Mouilleron, S, Wirth, M, Zhang, W, O Reilly, N, Dhira, J, Tooze, S.
登録日2020-09-03
公開日2021-06-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Phosphorylation of the LIR Domain of SCOC Modulates ATG8 Binding Affinity and Specificity.
J.Mol.Biol., 433, 2021
7AA8
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Structure of SCOC LIR bound to GABARAP
分子名称: Chimera made of SCOC (6-23) + linker (GS) + GABARAP,Gamma-aminobutyric acid receptor-associated protein
著者Lee, R, Mouilleron, S, Wirth, M, Zhang, W, O Reilly, N, Dhira, J, Tooze, S.
登録日2020-09-03
公開日2021-06-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Phosphorylation of the LIR Domain of SCOC Modulates ATG8 Binding Affinity and Specificity.
J.Mol.Biol., 433, 2021
7AA7
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Structure of SCOC pS12/pS18 LIR motif bound to GABARAPL1
分子名称: Gamma-aminobutyric acid receptor-associated protein-like 1, pS12/pS18 SCOC LIR, sulfoacetic acid
著者Lee, R, Mouilleron, S, Wirth, M, Zhang, W, O Reilly, N, Dhira, J, Tooze, S.
登録日2020-09-03
公開日2021-06-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Phosphorylation of the LIR Domain of SCOC Modulates ATG8 Binding Affinity and Specificity.
J.Mol.Biol., 433, 2021
1C94
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REVERSING THE SEQUENCE OF THE GCN4 LEUCINE ZIPPER DOES NOT AFFECT ITS FOLD.
分子名称: RETRO-GCN4 LEUCINE ZIPPER
著者Mittl, P.R.E, Deillon, C.A, Sargent, D, Liu, N, Klauser, S, Thomas, R.M, Gutte, B, Gruetter, M.G.
登録日1999-07-30
公開日2000-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献The retro-GCN4 leucine zipper sequence forms a stable three-dimensional structure.
Proc.Natl.Acad.Sci.USA, 97, 2000
4XX4
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Renin in complex with (4S)-4-isopropyl-4-methyl-6-oxo-1-(3-(2-oxo-4-phenylpyrrolidin-1-yl)benzyl)tetrahydropyrimidin-2(1H)-iminium
分子名称: (2Z,6S)-2-imino-6-methyl-3-{3-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]benzyl}-6-(propan-2-yl)tetrahydropyrimidin-4(1H)-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin
著者Orth, P.
登録日2015-01-29
公開日2015-02-18
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Iminopyrimidinones: a novel pharmacophore for the development of orally active renin inhibitors.
Bioorg. Med. Chem. Lett., 25, 2015
4Y33
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Crystal of NO66 in complex with Ni(II)and N-oxalylglycine (NOG)
分子名称: Bifunctional lysine-specific demethylase and histidyl-hydroxylase NO66, N-OXALYLGLYCINE, NICKEL (II) ION
著者Wang, C, Zhang, Q, Zang, J.
登録日2015-02-10
公開日2015-10-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of the JmjC domain-containing protein NO66 complexed with ribosomal protein Rpl8.
Acta Crystallogr.,Sect.D, 71, 2015
4XX3
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Renin in complex with (S)-1-(3-(benzylcarbamoyl)benzyl)-4-isopropyl-4-methyl-6-oxotetrahydropyrimidin-2(1H)-iminium
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-benzyl-3-{[(2Z,4S)-2-imino-4-methyl-6-oxo-4-(propan-2-yl)tetrahydropyrimidin-1(2H)-yl]methyl}benzamide, Renin
著者Orth, P.
登録日2015-01-29
公開日2015-02-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Iminopyrimidinones: a novel pharmacophore for the development of orally active renin inhibitors.
Bioorg. Med. Chem. Lett., 25, 2015
4Y3O
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BU of 4y3o by Molmil
Crystal structure of Ribosomal oxygenase NO66 in complex with substrate Rpl8 peptide and Ni(II) and cofactor N-oxalyglycine
分子名称: ACETATE ION, Bifunctional lysine-specific demethylase and histidyl-hydroxylase NO66, GLYCEROL, ...
著者Wang, C, Zhang, Q, Zang, J.
登録日2015-02-10
公開日2015-10-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of the JmjC domain-containing protein NO66 complexed with ribosomal protein Rpl8.
Acta Crystallogr.,Sect.D, 71, 2015
6IRG
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BU of 6irg by Molmil
Structure of the human GluN1/GluN2A NMDA receptor in the glutamate/glycine-bound state at pH 6.3, Class II
分子名称: Glutamate receptor ionotropic, NMDA 1, NMDA 2A
著者Zhang, J, Chang, S, Zhang, X, Zhu, S.
登録日2018-11-12
公開日2019-01-16
最終更新日2019-06-05
実験手法ELECTRON MICROSCOPY (5.5 Å)
主引用文献Structural Basis of the Proton Sensitivity of Human GluN1-GluN2A NMDA Receptors
Cell Rep, 25, 2018
6IRA
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Structure of the human GluN1/GluN2A NMDA receptor in the glutamate/glycine-bound state at pH 7.8
分子名称: Glutamate receptor ionotropic, NMDA 1, NMDA 2A
著者Zhang, J, Chang, S, Zhang, X, Zhu, S.
登録日2018-11-12
公開日2019-01-16
最終更新日2019-06-05
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Structural Basis of the Proton Sensitivity of Human GluN1-GluN2A NMDA Receptors
Cell Rep, 25, 2018
6IRH
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Structure of the human GluN1/GluN2A NMDA receptor in the glutamate/glycine-bound state at pH 6.3, Class III
分子名称: Glutamate receptor ionotropic, NMDA 1, NMDA 2A
著者Zhang, J, Chang, S, Zhang, X, Zhu, S.
登録日2018-11-12
公開日2019-01-16
最終更新日2019-06-05
実験手法ELECTRON MICROSCOPY (7.8 Å)
主引用文献Structural Basis of the Proton Sensitivity of Human GluN1-GluN2A NMDA Receptors
Cell Rep, 25, 2018
6IRF
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Structure of the human GluN1/GluN2A NMDA receptor in the glutamate/glycine-bound state at pH 6.3, Class I
分子名称: Glutamate receptor ionotropic, NMDA 1, NMDA 2A
著者Zhang, J, Chang, S, Zhang, X, Zhu, S.
登録日2018-11-12
公開日2019-01-16
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (5.1 Å)
主引用文献Structural Basis of the Proton Sensitivity of Human GluN1-GluN2A NMDA Receptors
Cell Rep, 25, 2018
7OTJ
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BU of 7otj by Molmil
Crystal structure of Pif1 helicase from Candida albicans
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase PIF1, DNA (5'-D(P*TP*TP*TP*TP*TP*T)-3'), ...
著者Rety, S, Xi, X.G.
登録日2021-06-10
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Structural study of the function of Candida Albicans Pif1.
Biochem.Biophys.Res.Commun., 567, 2021
1CT1
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BU of 1ct1 by Molmil
CHOLERA TOXIN B-PENTAMER MUTANT G33R BOUND TO RECEPTOR PENTASACCHARIDE
分子名称: CHLORIDE ION, CHOLERA TOXIN, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-[N-acetyl-alpha-neuraminic acid-(2-3)]beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Merritt, E.A, Hol, W.G.J.
登録日1997-06-03
公開日1997-10-15
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural studies of receptor binding by cholera toxin mutants.
Protein Sci., 6, 1997
8UEL
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BU of 8uel by Molmil
Crystal structure of enolase from Litopenaeus vannamei
分子名称: Enolase, MAGNESIUM ION, PHOSPHOENOLPYRUVATE, ...
著者Chang, X, Zhao, G.
登録日2023-10-01
公開日2023-12-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Characterization and Structural Analyses of Enolase from Shrimp ( Litopenaeus vannamei ).
J.Agric.Food Chem., 71, 2023
8WUA
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BU of 8wua by Molmil
cryo-EM structure of human TMEM63A
分子名称: CSC1-like protein 1
著者Yang, D.
登録日2023-10-20
公開日2024-01-24
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献A monomeric structure of human TMEM63A protein.
Proteins, 92, 2024
6EIV
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DYRK1A in complex with JWD-065
分子名称: Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}-[3-[[4-azanyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]carbonyl]phenyl]propanamide
著者Rothweiler, U.
登録日2017-09-19
公開日2018-08-29
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
6EIR
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DYRK1A in complex with XMD15-27-2
分子名称: Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}-[4-[[4-azanyl-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]carbonyl]phenyl]propanamide
著者Rothweiler, U.
登録日2017-09-19
公開日2018-08-29
最終更新日2021-07-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
6EIQ
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DYRK1A in complex with XMD14-124
分子名称: Dual specificity tyrosine-phosphorylation-regulated kinase 1A, [4-azanyl-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]-phenyl-methanone
著者Rothweiler, U.
登録日2017-09-19
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
6EIP
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DYRK1A in complex with XMD8-62e
分子名称: 4-[[(3~{R},7~{S})-2-cyclopentyl-9-methyl-8-oxidanylidene-2,9,12,14-tetrazatricyclo[8.4.0.0^{3,7}]tetradeca-1(14),10,12-trien-13-yl]amino]benzamide, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Rothweiler, U.
登録日2017-09-19
公開日2018-08-29
最終更新日2018-09-26
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
6EJ4
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DYRK1A in complex with XMD7-112
分子名称: 3-(3-pyridin-3-yl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)aniline, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Rothweiler, U.
登録日2017-09-20
公開日2018-08-29
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018

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