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6U8O
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Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction
分子名称: 5-bromo-N-[5-(1-cyanocyclobutyl)-2-hydroxyphenyl]-2-hydroxybenzene-1-sulfonamide, WD repeat-containing protein 5
著者Zhao, B, Wang, F.
登録日2019-09-05
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery and Optimization of Salicylic Acid-Derived Sulfonamide Inhibitors of the WD Repeat-Containing Protein 5-MYC Protein-Protein Interaction.
J.Med.Chem., 62, 2019
6UJ4
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BU of 6uj4 by Molmil
Discovery of fragment-inspired heterocyclic benzenesulfonmides as inhibitors of the WDR5-MYC interaction
分子名称: 5-bromo-3-chloro-N-(1-cyclopentyl-2-methyl-1H-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide, WD repeat domain 5
著者Zhao, B.
登録日2019-10-02
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 63, 2020
6UJL
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BU of 6ujl by Molmil
Discovery of fragment-inspired heterocyclic benzenesulfonamides as inhibitors of the WDR5-MYC interaction
分子名称: 6-methyl-3-(propylsulfanyl)-1,2,4-triazin-5-ol, WD repeat-containing protein 5
著者Phan, J.
登録日2019-10-03
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.599 Å)
主引用文献Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 63, 2020
6UJJ
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BU of 6ujj by Molmil
Discovery of fragment-inspired heterocyclic benzenesulfonamides as inhibitors of the WDR5-MYC interaction
分子名称: 5-[4-(trifluoromethyl)phenyl]-1H-tetrazole, WD repeat-containing protein 5
著者Phan, J.
登録日2019-10-03
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.731 Å)
主引用文献Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 63, 2020
6BEV
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BU of 6bev by Molmil
Human Single Domain Sulfurtranferase TSTD1
分子名称: Thiosulfate sulfurtransferase/rhodanese-like domain-containing protein 1
著者Motl, N, Akey, D.L, Smith, J.L, Banerjee, R.
登録日2017-10-25
公開日2018-01-24
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.043 Å)
主引用文献Thiosulfate sulfurtransferase-like domain-containing 1 protein interacts with thioredoxin.
J. Biol. Chem., 293, 2018
6OSJ
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BU of 6osj by Molmil
Cryo-EM structure of the N-terminally acetylated full length alpha-synuclein fibrils (Ac1-140)
分子名称: Alpha-synuclein
著者Xiaodan, N, Ryan, P.M, Jiansen, J, Jennifer, C.L.
登録日2019-05-01
公開日2019-09-25
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural Insights into alpha-Synuclein Fibril Polymorphism: Effects of Parkinson's Disease-Related C-Terminal Truncations.
J.Mol.Biol., 431, 2019
8GI6
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BU of 8gi6 by Molmil
Crystal structure of RhoA mutant L69R complexed with GDP
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Transforming protein RhoA
著者Chen, X, Qian, X, Chandravanshi, M, Lowy, D.R, Walters, K.J.
登録日2023-03-13
公開日2024-03-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Ras-like GTPases mutant structures
To be published
8GI3
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BU of 8gi3 by Molmil
Crystal structure of RhoA mutant L69P complexed with GDP
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Transforming protein RhoA
著者Chen, X, Qian, X, Chandravanshi, M, Lowy, D.R, Walters, K.J.
登録日2023-03-13
公開日2024-03-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Ras-like GTPases mutants structure
To be published
6OSL
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Cryo-EM structure of the N-terminally acetylated C-terminal Alpha-synuclein truncation Ac1-122
分子名称: Alpha-synuclein
著者Ni, X, McGlinchey, R.P, Jiang, J, Lee, J.C.
登録日2019-05-01
公開日2019-09-25
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural Insights into alpha-Synuclein Fibril Polymorphism: Effects of Parkinson's Disease-Related C-Terminal Truncations.
J.Mol.Biol., 431, 2019
8F1G
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BU of 8f1g by Molmil
Crystal structure of human WDR5 in complex with compound WM662
分子名称: (2S)-2-({(2S)-3-(3'-chloro[1,1'-biphenyl]-4-yl)-1-oxo-1-[(1H-tetrazol-5-yl)amino]propan-2-yl}oxy)propanoic acid, GLYCEROL, SULFATE ION, ...
著者Liu, H.
登録日2022-11-05
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Discovery of Potent Small-Molecule Inhibitors of WDR5-MYC Interaction.
Acs Chem.Biol., 18, 2023
2GRO
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BU of 2gro by Molmil
Crystal Structure of human RanGAP1-Ubc9-N85Q
分子名称: Ran GTPase-activating protein 1, Ubiquitin-conjugating enzyme E2 I
著者Yunus, A.A, Lima, C.D.
登録日2006-04-24
公開日2006-05-30
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Lysine activation and functional analysis of E2-mediated conjugation in the SUMO pathway.
Nat.Struct.Mol.Biol., 13, 2006
2GRN
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BU of 2grn by Molmil
Crystal Structure of human RanGAP1-Ubc9
分子名称: Ran GTPase-activating protein 1, Ubiquitin-conjugating enzyme E2 I
著者Yunus, A.A, Lima, C.D.
登録日2006-04-24
公開日2006-05-30
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Lysine activation and functional analysis of E2-mediated conjugation in the SUMO pathway.
Nat.Struct.Mol.Biol., 13, 2006
7N1R
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BU of 7n1r by Molmil
A novel and unique ATP hydrolysis to AMP by a human Hsp70 BiP
分子名称: ADENOSINE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, Endoplasmic reticulum chaperone BiP, ...
著者Yang, J, Musayev, F, Liu, Q.
登録日2021-05-28
公開日2022-01-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献A novel and unique ATP hydrolysis to AMP by a human Hsp70 Binding immunoglobin protein (BiP).
Protein Sci., 31, 2022
4LL1
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BU of 4ll1 by Molmil
The structure of the TRX and TXNIP complex
分子名称: Thioredoxin, Thioredoxin-interacting protein
著者Hwang, J, Kim, M.H.
登録日2013-07-09
公開日2014-02-05
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The structural basis for the negative regulation of thioredoxin by thioredoxin-interacting protein
Nat Commun, 5, 2014
6PES
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BU of 6pes by Molmil
Cryo-EM structure of alpha-synuclein H50Q Wide Fibril
分子名称: Alpha-synuclein
著者Boyer, D.R, Li, B, Sawaya, M.R, Jiang, L, Eisenberg, D.S.
登録日2019-06-20
公開日2019-11-27
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structures of fibrils formed by alpha-synuclein hereditary disease mutant H50Q reveal new polymorphs.
Nat.Struct.Mol.Biol., 26, 2019
2GRQ
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BU of 2grq by Molmil
Crystal Structure of human RanGAP1-Ubc9-D127A
分子名称: Ran GTPase-activating protein 1, Ubiquitin-conjugating enzyme E2 I
著者Yunus, A.A, Lima, C.D.
登録日2006-04-24
公開日2006-05-30
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Lysine activation and functional analysis of E2-mediated conjugation in the SUMO pathway.
Nat.Struct.Mol.Biol., 13, 2006
4Q0X
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BU of 4q0x by Molmil
Crystal structure of non-neutralizing antibody in complex with Epitope II of HCV E2
分子名称: Envelope glycoprotein E2, mAb 12 heavy chain, mAb 12 light chain
著者Deng, L, Zhang, P.
登録日2014-04-02
公開日2014-07-09
最終更新日2014-08-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discrete conformations of epitope II on the hepatitis C virus E2 protein for antibody-mediated neutralization and nonneutralization.
Proc.Natl.Acad.Sci.USA, 111, 2014
2GRR
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BU of 2grr by Molmil
Crystal Structure of human RanGAP1-Ubc9-D127S
分子名称: Ran GTPase-activating protein 1, Ubiquitin-conjugating enzyme E2 I
著者Yunus, A.A, Lima, C.D.
登録日2006-04-24
公開日2006-05-30
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Lysine activation and functional analysis of E2-mediated conjugation in the SUMO pathway.
Nat.Struct.Mol.Biol., 13, 2006
2M4H
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BU of 2m4h by Molmil
Solution structure of the Core Domain (10-76) of the Feline Calicivirus VPg protein
分子名称: Feline Calicivirus VPg protein
著者Kwok, R.N, Leen, E.N, Birtley, J.R, Prater, S.N, Simpson, P.J, Curry, S, Matthews, S, Marchant, J.
登録日2013-02-05
公開日2013-03-27
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structures of the Compact Helical Core Domains of Feline Calicivirus and Murine Norovirus VPg Proteins.
J.Virol., 87, 2013
1L8Y
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BU of 1l8y by Molmil
Solution structure of HMG box 5 in human upstream binding factor
分子名称: upstream binding factor 1
著者Yang, W, Xu, Y, Wu, J, Zeng, W, Shi, Y.
登録日2002-03-22
公開日2002-06-05
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure and DNA binding property of the fifth HMG box domain in comparison with the first HMG box domain in human upstream binding factor
Biochemistry, 42, 2003
8F93
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BU of 8f93 by Molmil
WDR5 covalently modified at Y228 by (R)-2-SF
分子名称: 3-ethynyl-5-{[(3R)-4-{1-[(2-methoxyphenyl)methyl]-1H-benzimidazole-5-carbonyl}-3-methylpiperazin-1-yl]methyl}benzene-1-sulfonyl fluoride, CHLORIDE ION, GLYCEROL, ...
著者Taunton, J, Craven, G.B, Chen, Y.
登録日2022-11-23
公開日2023-05-31
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Direct mapping of ligandable tyrosines and lysines in cells with chiral sulfonyl fluoride probes.
Nat.Chem., 15, 2023
1L8Z
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BU of 1l8z by Molmil
Solution structure of HMG box 5 in human upstream binding factor
分子名称: upstream binding factor 1
著者Yang, W, Xu, Y, Wu, J, Zeng, W, Shi, Y.
登録日2002-03-22
公開日2002-06-05
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure and DNA binding property of the fifth HMG box domain in comparison with the first HMG box domain in human upstream binding factor
Biochemistry, 42, 2003
6UOZ
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BU of 6uoz by Molmil
Discovery of fragment-inspired heterocyclic benzenesulfonmides as inhibitors of the WDR5-MYC interaction
分子名称: 5-bromo-3-chloro-N-[1-cyclopentyl-2-(methylsulfonyl)-1H-imidazol-4-yl]-2-hydroxybenzene-1-sulfonamide, WD repeat domain 5
著者Zhao, B.
登録日2019-10-16
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.532 Å)
主引用文献Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 63, 2020
5Y81
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BU of 5y81 by Molmil
NuA4 TEEAA sub-complex
分子名称: Actin, Actin-related protein 4, Chromatin modification-related protein EAF1, ...
著者Wang, X, Cai, G.
登録日2017-08-18
公開日2018-04-18
最終更新日2019-11-06
実験手法ELECTRON MICROSCOPY (4.7 Å)
主引用文献Architecture of the Saccharomyces cerevisiae NuA4/TIP60 complex
Nat Commun, 9, 2018
5TUU
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BU of 5tuu by Molmil
Crystal structure of the E2F4-DP1 coiled coil and marked-box domains
分子名称: GLYCEROL, Transcription factor DP1, Transcription factor E2F4
著者Liban, T.J, Rubin, S.M, Tripathi, S.M.
登録日2016-11-07
公開日2017-05-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.251 Å)
主引用文献Conservation and divergence of C-terminal domain structure in the retinoblastoma protein family.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017

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