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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
Descriptor: 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ...
Authors:Kraemer, A, Greco, F, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2024-03-20
Release date:2024-05-01
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (2.65 Å)
Cite: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
Descriptor: Casein kinase II subunit alpha, SULFATE ION, ~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]-2-[1-(3-methylquinolin-8-yl)sulfonylpiperidin-4-yl]ethanamine
Authors:Kraemer, A, Greco, F, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2024-03-20
Release date:2024-05-01
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ...
Authors:Kraemer, A, Greco, F, Moeckel, J, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2024-03-20
Release date:2024-05-01
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (3 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER, ...
Authors:Dougan, D.R, Lane, W.
Deposit date:2024-01-19
Release date:2024-08-07
Method:X-RAY DIFFRACTION (1.35 Å)
Cite: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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BU of 7aa9 by Molmil
Structure of SCOC pT13/pT15 LIR motif bound to GABARAPL1
Descriptor: Gamma-aminobutyric acid receptor-associated protein-like 1, pT13/PT15 SCOC LIR
Authors:Lee, R, Mouilleron, S, Wirth, M, Zhang, W, O Reilly, N, Dhira, J, Tooze, S.
Deposit date:2020-09-03
Release date:2021-06-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Phosphorylation of the LIR Domain of SCOC Modulates ATG8 Binding Affinity and Specificity.
J.Mol.Biol., 433, 2021
7AA8
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BU of 7aa8 by Molmil
Structure of SCOC LIR bound to GABARAP
Descriptor: Chimera made of SCOC (6-23) + linker (GS) + GABARAP,Gamma-aminobutyric acid receptor-associated protein
Authors:Lee, R, Mouilleron, S, Wirth, M, Zhang, W, O Reilly, N, Dhira, J, Tooze, S.
Deposit date:2020-09-03
Release date:2021-06-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Phosphorylation of the LIR Domain of SCOC Modulates ATG8 Binding Affinity and Specificity.
J.Mol.Biol., 433, 2021
7AA7
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BU of 7aa7 by Molmil
Structure of SCOC pS12/pS18 LIR motif bound to GABARAPL1
Descriptor: Gamma-aminobutyric acid receptor-associated protein-like 1, pS12/pS18 SCOC LIR, sulfoacetic acid
Authors:Lee, R, Mouilleron, S, Wirth, M, Zhang, W, O Reilly, N, Dhira, J, Tooze, S.
Deposit date:2020-09-03
Release date:2021-06-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Phosphorylation of the LIR Domain of SCOC Modulates ATG8 Binding Affinity and Specificity.
J.Mol.Biol., 433, 2021
1C94
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BU of 1c94 by Molmil
REVERSING THE SEQUENCE OF THE GCN4 LEUCINE ZIPPER DOES NOT AFFECT ITS FOLD.
Descriptor: RETRO-GCN4 LEUCINE ZIPPER
Authors:Mittl, P.R.E, Deillon, C.A, Sargent, D, Liu, N, Klauser, S, Thomas, R.M, Gutte, B, Gruetter, M.G.
Deposit date:1999-07-30
Release date:2000-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:The retro-GCN4 leucine zipper sequence forms a stable three-dimensional structure.
Proc.Natl.Acad.Sci.USA, 97, 2000
4XX4
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BU of 4xx4 by Molmil
Renin in complex with (4S)-4-isopropyl-4-methyl-6-oxo-1-(3-(2-oxo-4-phenylpyrrolidin-1-yl)benzyl)tetrahydropyrimidin-2(1H)-iminium
Descriptor: (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
Authors:Orth, P.
Deposit date:2015-01-29
Release date:2015-02-18
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Iminopyrimidinones: a novel pharmacophore for the development of orally active renin inhibitors.
Bioorg. Med. Chem. Lett., 25, 2015
4Y33
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BU of 4y33 by Molmil
Crystal of NO66 in complex with Ni(II)and N-oxalylglycine (NOG)
Descriptor: Bifunctional lysine-specific demethylase and histidyl-hydroxylase NO66, N-OXALYLGLYCINE, NICKEL (II) ION
Authors:Wang, C, Zhang, Q, Zang, J.
Deposit date:2015-02-10
Release date:2015-10-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of the JmjC domain-containing protein NO66 complexed with ribosomal protein Rpl8.
Acta Crystallogr.,Sect.D, 71, 2015
4XX3
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BU of 4xx3 by Molmil
Renin in complex with (S)-1-(3-(benzylcarbamoyl)benzyl)-4-isopropyl-4-methyl-6-oxotetrahydropyrimidin-2(1H)-iminium
Descriptor: 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
Authors:Orth, P.
Deposit date:2015-01-29
Release date:2015-02-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: ACETATE ION, Bifunctional lysine-specific demethylase and histidyl-hydroxylase NO66, GLYCEROL, ...
Authors:Wang, C, Zhang, Q, Zang, J.
Deposit date:2015-02-10
Release date:2015-10-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: Glutamate receptor ionotropic, NMDA 1, NMDA 2A
Authors:Zhang, J, Chang, S, Zhang, X, Zhu, S.
Deposit date:2018-11-12
Release date:2019-01-16
Last modified:2019-06-05
Method:ELECTRON MICROSCOPY (5.5 Å)
Cite:Structural Basis of the Proton Sensitivity of Human GluN1-GluN2A NMDA Receptors
Cell Rep, 25, 2018
6IRA
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BU of 6ira by Molmil
Structure of the human GluN1/GluN2A NMDA receptor in the glutamate/glycine-bound state at pH 7.8
Descriptor: Glutamate receptor ionotropic, NMDA 1, NMDA 2A
Authors:Zhang, J, Chang, S, Zhang, X, Zhu, S.
Deposit date:2018-11-12
Release date:2019-01-16
Last modified:2019-06-05
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Structural Basis of the Proton Sensitivity of Human GluN1-GluN2A NMDA Receptors
Cell Rep, 25, 2018
6IRH
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BU of 6irh by Molmil
Structure of the human GluN1/GluN2A NMDA receptor in the glutamate/glycine-bound state at pH 6.3, Class III
Descriptor: Glutamate receptor ionotropic, NMDA 1, NMDA 2A
Authors:Zhang, J, Chang, S, Zhang, X, Zhu, S.
Deposit date:2018-11-12
Release date:2019-01-16
Last modified:2019-06-05
Method:ELECTRON MICROSCOPY (7.8 Å)
Cite:Structural Basis of the Proton Sensitivity of Human GluN1-GluN2A NMDA Receptors
Cell Rep, 25, 2018
6IRF
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BU of 6irf by Molmil
Structure of the human GluN1/GluN2A NMDA receptor in the glutamate/glycine-bound state at pH 6.3, Class I
Descriptor: Glutamate receptor ionotropic, NMDA 1, NMDA 2A
Authors:Zhang, J, Chang, S, Zhang, X, Zhu, S.
Deposit date:2018-11-12
Release date:2019-01-16
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (5.1 Å)
Cite: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
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase PIF1, DNA (5'-D(P*TP*TP*TP*TP*TP*T)-3'), ...
Authors:Rety, S, Xi, X.G.
Deposit date:2021-06-10
Release date:2021-07-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.58 Å)
Cite: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
Descriptor: 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
Authors:Merritt, E.A, Hol, W.G.J.
Deposit date:1997-06-03
Release date:1997-10-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: Enolase, MAGNESIUM ION, PHOSPHOENOLPYRUVATE, ...
Authors:Chang, X, Zhao, G.
Deposit date:2023-10-01
Release date:2023-12-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.49 Å)
Cite: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
Descriptor: CSC1-like protein 1
Authors:Yang, D.
Deposit date:2023-10-20
Release date:2024-01-24
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:A monomeric structure of human TMEM63A protein.
Proteins, 92, 2024
6EIV
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BU of 6eiv by Molmil
DYRK1A in complex with JWD-065
Descriptor: 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
Authors:Rothweiler, U.
Deposit date:2017-09-19
Release date:2018-08-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
6EIR
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BU of 6eir by Molmil
DYRK1A in complex with XMD15-27-2
Descriptor: 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
Authors:Rothweiler, U.
Deposit date:2017-09-19
Release date:2018-08-29
Last modified:2021-07-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
6EIQ
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BU of 6eiq by Molmil
DYRK1A in complex with XMD14-124
Descriptor: 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
Authors:Rothweiler, U.
Deposit date:2017-09-19
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
6EIP
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BU of 6eip by Molmil
DYRK1A in complex with XMD8-62e
Descriptor: 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
Authors:Rothweiler, U.
Deposit date:2017-09-19
Release date:2018-08-29
Last modified:2018-09-26
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
6EJ4
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BU of 6ej4 by Molmil
DYRK1A in complex with XMD7-112
Descriptor: 3-(3-pyridin-3-yl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)aniline, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
Authors:Rothweiler, U.
Deposit date:2017-09-20
Release date:2018-08-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018

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数据于2024-10-16公开中

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