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3WU0
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Crystal structure of phosphorylated ETS-1 DNA binding and autoinhibitory domains (276-441)
分子名称: Protein C-ets-1
著者Shiina, M, Hamada, K, Ogata, K.
登録日2014-04-21
公開日2014-08-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A novel allosteric mechanism on protein-DNA interactions underlying the phosphorylation-dependent regulation of Ets1 target gene expressions.
J.Mol.Biol., 427, 2015
8WRZ
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BU of 8wrz by Molmil
Cry-EM structure of cannabinoid receptor-arrestin 2 complex
分子名称: (6~{a}~{R},9~{R},10~{a}~{R})-9-(hydroxymethyl)-3-(8-isothiocyanato-2-methyl-octan-2-yl)-6,6-dimethyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol, Beta-arrestin-1, Soluble cytochrome b562,Cannabinoid receptor 1, ...
著者Wang, Y.X, Wang, T, Wu, L.J, Hua, T, Liu, Z.J.
登録日2023-10-16
公開日2024-02-28
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Cryo-EM structure of cannabinoid receptor CB1-beta-arrestin complex.
Protein Cell, 15, 2024
7O7B
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BU of 7o7b by Molmil
Solution NMR Structure of the Neh1 Domain of Human Nuclear factor erythroid 2-related factor 2 (NRF2)
分子名称: Isoform 3 of Nuclear factor erythroid 2-related factor 2
著者Brueschweiler, S.
登録日2021-04-13
公開日2021-09-29
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献A Step toward NRF2-DNA Interaction Inhibitors by Fragment-Based NMR Methods.
Chemmedchem, 16, 2021
8VXQ
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BU of 8vxq by Molmil
Cryo-EM structure of phage DEV ejection proteins gp72:gp73
分子名称: N4 gp52-like protein, gp72
著者Iglesias, S.M, Cingolani, G.
登録日2024-02-05
公開日2024-04-03
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Integrative structural analysis of Pseudomonas phage DEV reveals a genome ejection motor.
Res Sq, 2024
5D2D
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BU of 5d2d by Molmil
Crystal structure of human 14-3-3 zeta in complex with CFTR R-domain peptide pS753-pS768
分子名称: 14-3-3 protein zeta/delta, CHLORIDE ION, Cystic fibrosis transmembrane conductance regulator, ...
著者Stevers, L.M, Leysen, S.F.R, Ottmann, C.
登録日2015-08-05
公開日2016-03-16
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Characterization and small-molecule stabilization of the multisite tandem binding between 14-3-3 and the R domain of CFTR.
Proc.Natl.Acad.Sci.USA, 113, 2016
5D3F
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BU of 5d3f by Molmil
Crystal structure of human 14-3-3 zeta in complex with CFTR R-domain peptide pS753-pS768 and stabilizer fusicoccin-A
分子名称: 14-3-3 protein zeta/delta, Cystic fibrosis transmembrane conductance regulator, FUSICOCCIN
著者Stevers, L.M, Leysen, S.F.R, Ottmann, C.
登録日2015-08-06
公開日2016-03-16
最終更新日2019-03-13
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Characterization and small-molecule stabilization of the multisite tandem binding between 14-3-3 and the R domain of CFTR.
Proc.Natl.Acad.Sci.USA, 113, 2016
9BJU
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BU of 9bju by Molmil
Crystal structure of the complex between VHL, ElonginB, ElonginC, and compound 5
分子名称: 1,2-ETHANEDIOL, 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, ACETATE ION, ...
著者Murray, J.M, Wu, H, Fuhrmann, J, Fairbrother, W.J, DiPasquale, A.
登録日2024-04-25
公開日2024-05-29
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Potency-enhanced peptidomimetic VHL ligands with improved oral bioavailability
To Be Published
9BOL
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BU of 9bol by Molmil
Crystal structure of the complex between VHL, ElonginB, ElonginC, and compound 5
分子名称: (4R)-1-[(2S)-2-(4-cyclopropyl-1H-1,2,3-triazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Murray, J.M, Wu, H, Fuhrmann, J, Fairbrother, W.J, DiPasquale, A.
登録日2024-05-03
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Potency-enhanced peptidomimetic VHL ligands with improved oral bioavailability
To Be Published
8ZJV
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BU of 8zjv by Molmil
Crystal Structure of the ERK2 complexed with 5-Iodotubercidin
分子名称: (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Yang, Y, Fu, L, Chen, R, Cheng, H, Sun, X.
登録日2024-05-15
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of the ERK2 complexed with 5-Iodotubercidin
To Be Published
6CU7
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BU of 6cu7 by Molmil
Alpha Synuclein fibril formed by full length protein - Rod Polymorph
分子名称: Alpha-synuclein
著者Li, B, Hatami, A, Ge, P, Murray, K.A, Sheth, P, Zhang, M, Nair, G, Sawaya, M.R, Zhu, C, Broad, M, Shin, W.S, Ye, S, John, V, Eisenberg, D.S, Zhou, Z.H, Jiang, L.
登録日2018-03-23
公開日2018-09-12
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM of full-length alpha-synuclein reveals fibril polymorphs with a common structural kernel.
Nat Commun, 9, 2018
6PG5
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BU of 6pg5 by Molmil
WDR5delta32 bound to benzyl (4-(5-(hydroxymethyl)-1H-imidazol-2-yl)butyl)carbamate
分子名称: SULFATE ION, WD repeat-containing protein 5, benzyl {4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate
著者Dennis, M.L, Peat, T.S.
登録日2019-06-24
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
6PGB
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BU of 6pgb by Molmil
WDR5delta32 bound to N-(4-(5-(hydroxymethyl)-1H-imidazol-2-yl)butyl)-2-phenylacetamide
分子名称: N-{4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}-2-phenylacetamide, SULFATE ION, WD repeat-containing protein 5
著者Dennis, M.L, Peat, T.S.
登録日2019-06-24
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
6PG3
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BU of 6pg3 by Molmil
WDR5delta23 bound to (2-butyl-1H-imidazol-4-yl)methanol
分子名称: (2-butyl-1H-imidazol-4-yl)methanol, WD repeat-containing protein 5
著者Dennis, M.L, Peat, T.S.
登録日2019-06-24
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
8X3R
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BU of 8x3r by Molmil
Crystal structure of human WDR5 in complex with WDR5
分子名称: WD repeat-containing protein 5
著者Liu, Y, Huang, X.
登録日2023-11-14
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献The NTE domain of PTEN alpha / beta promotes cancer progression by interacting with WDR5 via its SSSRRSS motif.
Cell Death Dis, 15, 2024
6P7X
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BU of 6p7x by Molmil
Structure of the K. lactis CBF3 core - Ndc10 D1D2 complex
分子名称: Cep3, Ctf13, Ndc10, ...
著者Lee, P.D, Wei, H, Tan, D, Harrison, S.C.
登録日2019-06-06
公開日2019-09-18
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Structure of the Centromere Binding Factor 3 Complex from Kluyveromyces lactis.
J.Mol.Biol., 431, 2019
8X77
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BU of 8x77 by Molmil
Enterovirus proteinase with host factor
分子名称: 2A protein, Actin-histidine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Gao, X, Cui, S.
登録日2023-11-23
公開日2024-05-29
実験手法X-RAY DIFFRACTION (3.52 Å)
主引用文献The EV71 2A protease occupies the central cleft of SETD3 and disrupts SETD3-actin interaction.
Nat Commun, 15, 2024
8X3S
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BU of 8x3s by Molmil
Crystal structure of human WDR5 in complex with PTEN
分子名称: Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN, WD repeat-containing protein 5
著者Liu, Y, Huang, X, Shang, X.
登録日2023-11-14
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献The NTE domain of PTEN alpha / beta promotes cancer progression by interacting with WDR5 via its SSSRRSS motif.
Cell Death Dis, 15, 2024
8X8Q
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BU of 8x8q by Molmil
Structure of enterovirus protease in complex host factor
分子名称: 2A protein (Fragment), Actin-histidine N-methyltransferase, ZINC ION
著者Gao, X, Cui, S.
登録日2023-11-28
公開日2024-05-29
実験手法ELECTRON MICROSCOPY (3.14 Å)
主引用文献The EV71 2A protease occupies the central cleft of SETD3 and disrupts SETD3-actin interaction.
Nat Commun, 15, 2024
6PG8
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BU of 6pg8 by Molmil
WDR5delta23 bound to (2-(3-phenylpropyl)-1H-imidazol-4-yl)methanol
分子名称: CHLORIDE ION, SULFATE ION, WD repeat-containing protein 5, ...
著者Dennis, M.L, Peat, T.S.
登録日2019-06-24
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
6PG4
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BU of 6pg4 by Molmil
WDR5delta32 bound to (2-methyl-1H-imidazol-4-yl)methanol
分子名称: (2-methyl-1H-imidazol-4-yl)methanol, SULFATE ION, WD repeat-containing protein 5
著者Dennis, M.L, Peat, T.S.
登録日2019-06-24
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
6PG9
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WDR5delta23 bound to N-(4-(5-(hydroxymethyl)-1H-imidazol-2-yl)butyl)benzamide
分子名称: N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}benzamide, WD repeat-containing protein 5
著者Dennis, M.L, Peat, T.S.
登録日2019-06-24
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
6PGA
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BU of 6pga by Molmil
WDR5delta32 bound to methyl (4-(4-(hydroxymethyl)-1H-imidazol-2-yl)butyl)carbamate
分子名称: SULFATE ION, WD repeat-containing protein 5, methyl {4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate
著者Dennis, M.L, Peat, T.S.
登録日2019-06-24
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
8VXE
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BU of 8vxe by Molmil
Structure of p38 alpha (Mitogen-activated protein kinase 14) complexed with inhibitor 6
分子名称: (4M)-4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine, Mitogen-activated protein kinase 14
著者Blaesse, M, Steinbacher, S, Shaffer, P.L, Sharma, S, Thompson, A.A.
登録日2024-02-04
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure-Based Optimization of Selective and Brain Penetrant CK1 delta Inhibitors for the Treatment of Circadian Disruptions.
Acs Med.Chem.Lett., 15, 2024
2VTS
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Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
分子名称: 5-[(4-AMINOCYCLOHEXYL)AMINO]-7-(PROPAN-2-YLAMINO)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE, CELL DIVISION PROTEIN KINASE 2
著者Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
登録日2008-05-15
公開日2008-08-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
1JWH
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BU of 1jwh by Molmil
Crystal Structure of Human Protein Kinase CK2 Holoenzyme
分子名称: Casein kinase II beta chain, Casein kinase II, alpha chain, ...
著者Niefind, K, Guerra, B, Ermakowa, I, Issinger, O.G.
登録日2001-09-04
公開日2002-03-04
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal structure of human protein kinase CK2: insights into basic properties of the CK2 holoenzyme.
EMBO J., 20, 2001

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