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PDB: 157 件
6U80
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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-(4-hydroxy[1,1'-biphenyl]-3-yl)-2-methoxybenzene-1-sulfonamide, WD repeat-containing protein 5
著者Zhao, B, Wang, F.
登録日2019-09-04
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.55 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
8E9F
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WD repeat-containing protein 5 complexed with 4-(7-((1H-imidazol-1-yl)methyl)-5-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)-1-oxo-3,4-dihydroisoquinolin-2(1H)-yl)-6-ethyl-N-methylquinoline-8-carboxamide (compound 10)
分子名称: 6-ethyl-4-[(5P)-7-[(1H-imidazol-1-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-oxo-3,4-dihydroisoquinolin-2(1H)-yl]-N-methylquinoline-8-carboxamide, BENZAMIDINE, WD repeat-containing protein 5
著者Rietz, T.A, Fesik, S.W.
登録日2022-08-26
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure-based discovery of potent WD repeat domain 5 inhibitors that demonstrate efficacy and safety in preclinical animal models.
Proc.Natl.Acad.Sci.USA, 120, 2023
7AXQ
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Structure of the cryo-trapped WDR5:CS-VIP8 cocrystal after illumination at 405 nm and 180 K
分子名称: CS-VIP8, WD repeat-containing protein 5
著者Werel, L, Essen, L.-O.
登録日2020-11-10
公開日2021-12-15
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.562 Å)
主引用文献Bistable Photoswitch Allows in Vivo Control of Hematopoiesis.
Acs Cent.Sci., 8, 2022
6U8L
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Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction
分子名称: 3-{[(5-bromo-2-hydroxyphenyl)sulfonyl]amino}-5-cyclopropyl-6-fluoro-2-hydroxybenzoic acid, N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]isoquinolin-1-amine, 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 (1.57 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
3UVM
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Crystal structure of WDR5 in complex with the WDR5-interacting motif of MLL4
分子名称: Histone-lysine N-methyltransferase MLL4, WD repeat-containing protein 5
著者Zhang, P, Lee, H, Brunzelle, J.S, Couture, J.-F.
登録日2011-11-30
公開日2011-12-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献The plasticity of WDR5 peptide-binding cleft enables the binding of the SET1 family of histone methyltransferases.
Nucleic Acids Res., 40, 2012
2H13
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Crystal structure of WDR5/histone H3 complex
分子名称: WD-repeat protein 5, histone H3 lys-4 dimethylated
著者Couture, J.F, Collazo, E, Trievel, R.C.
登録日2006-05-15
公開日2006-07-11
最終更新日2018-02-07
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Molecular recognition of histone H3 by the WD40 protein WDR5.
Nat.Struct.Mol.Biol., 13, 2006
6UJL
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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
6UIK
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Discovery of fragment-inspired heterocyclic benzenesulfonmides as inhibitors of the WDR5-MYC interaction
分子名称: 5-bromo-3-chloro-N-(1-cyclopentyl-1H-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide, WD repeat domanin 5
著者Zhao, B.
登録日2019-10-01
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 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
6DAK
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Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design
分子名称: DIMETHYL SULFOXIDE, N-{[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}benzamide, WD repeat-containing protein 5
著者Phan, J, Fesik, S.W.
登録日2018-05-01
公開日2018-09-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of Potent 2-Aryl-6,7-dihydro-5 H-pyrrolo[1,2- a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J. Med. Chem., 61, 2018
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
7CFP
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Crystal structure of WDR5 in complex with a H3Q5ser peptide
分子名称: H3Q5ser peptide, SEROTONIN, WD repeat-containing protein 5
著者Zhao, J, Zhang, X, Zang, J.
登録日2020-06-27
公開日2021-07-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural insights into the recognition of histone H3Q5 serotonylation by WDR5.
Sci Adv, 7, 2021
7CFQ
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Crystal structure of WDR5 in complex with H3K4me3Q5ser peptide
分子名称: 1,2-ETHANEDIOL, GLYCEROL, H3K4me3Q5ser peptide, ...
著者Zhao, J, Zhang, X, Zang, J.
登録日2020-06-27
公開日2021-07-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural insights into the recognition of histone H3Q5 serotonylation by WDR5.
Sci Adv, 7, 2021
6PG4
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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
6E22
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Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity
分子名称: 3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}-N-[(3,5-dimethoxyphenyl)methyl]-4-fluorobenzamide, SULFATE ION, WD repeat-containing protein 5
著者Phan, J, Fesik, S.W.
登録日2018-07-10
公開日2019-03-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6UIF
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BU of 6uif by Molmil
Discovery of fragment-inspired heterocyclic benzenesulfonmides as inhibitors of the WDR5-MYC interaction
分子名称: 4-{[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonyl]amino}-1-cyclopentyl-N-methyl-1H-imidazole-2-carboxamide, WD repeat domain 5
著者Zhao, B.
登録日2019-09-30
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.603 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
6DAI
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Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design
分子名称: 6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1-methylindoline, DIMETHYL SULFOXIDE, WD repeat-containing protein 5
著者Phan, J, Fesik, S.W.
登録日2018-05-01
公開日2018-09-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Discovery of Potent 2-Aryl-6,7-dihydro-5 H-pyrrolo[1,2- a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J. Med. Chem., 61, 2018
5VFC
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WDR5 bound to inhibitor MM-589
分子名称: 1,2-ETHANEDIOL, N-{(3R,6S,9S,12R)-6-ethyl-12-methyl-9-[3-(N'-methylcarbamimidamido)propyl]-2,5,8,11-tetraoxo-3-phenyl-1,4,7,10-tetraazacyclotetradecan-12-yl}-2-methylpropanamide, SULFATE ION, ...
著者Stuckey, J.A.
登録日2017-04-07
公開日2017-06-28
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Discovery of a Highly Potent, Cell-Permeable Macrocyclic Peptidomimetic (MM-589) Targeting the WD Repeat Domain 5 Protein (WDR5)-Mixed Lineage Leukemia (MLL) Protein-Protein Interaction.
J. Med. Chem., 60, 2017
6OI3
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Crystal structure of human WDR5 in complex with monomethyl H3R2 peptide
分子名称: GLYCEROL, Monomethyl H3R2 peptide, SULFATE ION, ...
著者Lorton, B.M, Harijan, R.K, Burgos, E, Bonanno, J.B, Almo, S.C, Shechter, D.
登録日2019-04-08
公開日2020-04-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献A Binary Arginine Methylation Switch on Histone H3 Arginine 2 Regulates Its Interaction with WDR5.
Biochemistry, 59, 2020
6E23
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Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-[(3,4-dichlorophenyl)methyl]-3-(6-fluoro-2-methylpyridin-3-yl)-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}benzamide, WD repeat-containing protein 5
著者Phan, J, Fesik, S.W.
登録日2018-07-10
公開日2019-03-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
4IA9
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Crystal structure of human WD REPEAT DOMAIN 5 in complex with 2-chloro-4-fluoro-3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide
分子名称: 1,2-ETHANEDIOL, 2-chloro-4-fluoro-3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide, UNKNOWN ATOM OR ION, ...
著者Dong, A, Dombrovski, L, Bolshan, Y, Getlik, M, Tempel, W, Kuznetsova, E, Wasney, G.A, Hajian, T, Poda, G, Nguyen, K.T, Schapira, M, Brown, P.J, Al-awar, R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Smil, D, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC)
登録日2012-12-06
公開日2012-12-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Synthesis, Optimization, and Evaluation of Novel Small Molecules as Antagonists of WDR5-MLL Interaction.
ACS Med Chem Lett, 4, 2013
6PG8
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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
6PG6
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WDR5delta23 bound to N-(4-(5-(hydroxymethyl)-1H-imidazol-2-yl)butyl)acetamide
分子名称: CHLORIDE ION, N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}acetamide, SULFATE ION, ...
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 (1.68 Å)
主引用文献Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
7AXU
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Structure of WDR5:CS-VIP8 cocrystal after illumination in situ
分子名称: WD repeat-containing protein 5
著者Werel, L, Essen, L.-O.
登録日2020-11-10
公開日2021-11-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Bistable Photoswitch Allows in Vivo Control of Hematopoiesis.
Acs Cent.Sci., 8, 2022
6OI2
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Crystal structure of human WDR5 in complex with symmetric dimethyl-L-arginine
分子名称: GLYCEROL, N3, N4-DIMETHYLARGININE, ...
著者Lorton, B.M, Harijan, R.K, Burgos, E, Bonanno, J.B, Almo, S.C, Shechter, D.
登録日2019-04-08
公開日2020-04-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献A Binary Arginine Methylation Switch on Histone H3 Arginine 2 Regulates Its Interaction with WDR5.
Biochemistry, 59, 2020
6OI1
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Crystal structure of human WDR5 in complex with monomethyl L-arginine
分子名称: (2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]pentanoic acid, GLYCEROL, SULFATE ION, ...
著者Lorton, B.M, Harijan, R.K, Burgos, E, Bonanno, J.B, Almo, S.C, Shechter, D.
登録日2019-04-08
公開日2020-04-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献A Binary Arginine Methylation Switch on Histone H3 Arginine 2 Regulates Its Interaction with WDR5.
Biochemistry, 59, 2020

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