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Identification of multiple ligand hotspots on SOS2, compound 2
Descriptor:	4-{[4-(4-methylpiperazin-1-yl)quinazolin-2-yl]amino}phenol, Son of sevenless homolog 2
Authors:	Phan, J, Fesik, S.W.
Deposit date:	2024-05-20
Release date:	2025-02-05
Last modified:	2025-02-26
Method:	X-RAY DIFFRACTION (1.787 Å)
Cite:	Discovery of Small Molecules that Bind to Son of Sevenless 2 (SOS2). J.Med.Chem., 68, 2025

9BVF

Identification of multiple ligand hotspots on SOS2, compound 6
Descriptor:	4-({4-[(3S)-3-methyl-1,4-diazepan-1-yl]quinazolin-2-yl}amino)phenol, DIMETHYL SULFOXIDE, SULFATE ION, ...
Authors:	Phan, J, Fesik, S.W.
Deposit date:	2024-05-20
Release date:	2025-02-05
Last modified:	2025-02-26
Method:	X-RAY DIFFRACTION (1.822 Å)
Cite:	Discovery of Small Molecules that Bind to Son of Sevenless 2 (SOS2). J.Med.Chem., 68, 2025

9OIM

The von Hippel Lindau-ElonginB-ElonginC (VCB) complex with fragment 9
Descriptor:	1-[5-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]-2,3-dihydroindol-1-yl]ethanone, Elongin-B, Elongin-C, ...
Authors:	Amporndanai, K, Katinas, J.M, Chopra, A, Fesik, S.W.
Deposit date:	2025-05-06
Release date:	2025-07-09
Method:	X-RAY DIFFRACTION (2.61 Å)
Cite:	NMR-Based Fragment Screen of the von Hippel-Lindau Elongin C&B Complex Acs Med.Chem.Lett., 2025

9OIO

The von Hippel Lindau-ElonginB-ElonginC (VCB) complex with fragments 9 and 14
Descriptor:	1-[(2-fluorophenyl)methyl]-4-(propan-2-yl)piperazine, 1-[6-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]-2,3-dihydroindol-1-yl]ethanone, DIMETHYL SULFOXIDE, ...
Authors:	Amporndanai, K, Katinas, J.M, Chopra, A, Fesik, S.W.
Deposit date:	2025-05-06
Release date:	2025-07-09
Method:	X-RAY DIFFRACTION (2.3 Å)
Cite:	NMR-Based Fragment Screen of the von Hippel-Lindau Elongin C&B Complex Acs Med.Chem.Lett., 2025

9OIN

The von Hippel Lindau-ElonginB-ElonginC (VCB) complex with fragment 13
Descriptor:	1-(propan-2-yl)-4-[(pyridin-2-yl)methyl]piperazine, Elongin-B, Elongin-C, ...
Authors:	Amporndanai, K, Katinas, J.M, Chopra, A, Fesik, S.W.
Deposit date:	2025-05-06
Release date:	2025-07-09
Method:	X-RAY DIFFRACTION (2.41 Å)
Cite:	NMR-Based Fragment Screen of the von Hippel-Lindau Elongin C&B Complex Acs Med.Chem.Lett., 2025

9OIQ

The von Hippel Lindau-ElonginB-ElonginC (VCB) complex with fragment 15
Descriptor:	2-(5-amino-1H-1,3-benzimidazol-1-yl)ethan-1-ol, Elongin-B, Elongin-C, ...
Authors:	Amporndanai, K, Katinas, J.M, Chopra, A, Fesik, S.W.
Deposit date:	2025-05-06
Release date:	2025-07-09
Method:	X-RAY DIFFRACTION (2.66 Å)
Cite:	NMR-Based Fragment Screen of the von Hippel-Lindau Elongin C&B Complex Acs Med.Chem.Lett., 2025

6U80

Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction
Descriptor:	5-bromo-N-(4-hydroxy[1,1'-biphenyl]-3-yl)-2-methoxybenzene-1-sulfonamide, WD repeat-containing protein 5
Authors:	Zhao, B, Wang, F.
Deposit date:	2019-09-04
Release date:	2019-12-04
Last modified:	2023-10-11
Method:	X-RAY DIFFRACTION (1.55 Å)
Cite:	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

6U5Y

Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction
Descriptor:	3-{[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonyl]amino}-5-(1-cyanocyclobutyl)-2-hydroxy-N-methylbenzamide, WD repeat-containing protein 5
Authors:	Zhao, B, Wang, F.
Deposit date:	2019-08-28
Release date:	2019-12-04
Last modified:	2023-10-11
Method:	X-RAY DIFFRACTION (1.532 Å)
Cite:	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

6UIK

Discovery of fragment-inspired heterocyclic benzenesulfonmides as inhibitors of the WDR5-MYC interaction
Descriptor:	5-bromo-3-chloro-N-(1-cyclopentyl-1H-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide, WD repeat domanin 5
Authors:	Zhao, B.
Deposit date:	2019-10-01
Release date:	2020-04-15
Last modified:	2023-10-11
Method:	X-RAY DIFFRACTION (1.6 Å)
Cite:	Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design. J.Med.Chem., 63, 2020

6UIF

Discovery of fragment-inspired heterocyclic benzenesulfonmides as inhibitors of the WDR5-MYC interaction
Descriptor:	4-{[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonyl]amino}-1-cyclopentyl-N-methyl-1H-imidazole-2-carboxamide, WD repeat domain 5
Authors:	Zhao, B.
Deposit date:	2019-09-30
Release date:	2020-04-15
Last modified:	2023-10-11
Method:	X-RAY DIFFRACTION (1.603 Å)
Cite:	Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design. J.Med.Chem., 63, 2020

6UJH

Discovery of fragment-inspired heterocyclic benzenesulfonamides as inhibitors of the WDR5-MYC interaction
Descriptor:	(2R)-2-(4-chlorophenyl)-3-oxobutanenitrile, DIMETHYL SULFOXIDE, SULFATE ION, ...
Authors:	Phan, J, Fesik, S.W.
Deposit date:	2019-10-03
Release date:	2020-04-15
Last modified:	2023-10-11
Method:	X-RAY DIFFRACTION (1.493 Å)
Cite:	Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design. J.Med.Chem., 63, 2020

6U5M

Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction
Descriptor:	5-bromo-2-hydroxy-N-[3-(methylsulfonyl)-5-(pentafluoro-lambda~6~-sulfanyl)phenyl]benzene-1-sulfonamide, WD repeat-containing protein 5
Authors:	Zhao, B, Wang, F.
Deposit date:	2019-08-28
Release date:	2019-12-04
Last modified:	2023-10-11
Method:	X-RAY DIFFRACTION (1.8 Å)
Cite:	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

6U8B

Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction
Descriptor:	3-{[(5-bromo-2-methoxyphenyl)sulfonyl]amino}-5-chloro-2-hydroxybenzoic acid, WD repeat-containing protein 5
Authors:	Zhao, B, Wang, F.
Deposit date:	2019-09-04
Release date:	2019-12-04
Last modified:	2023-10-11
Method:	X-RAY DIFFRACTION (1.261 Å)
Cite:	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

6U6W

Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction
Descriptor:	5-bromo-N-(5-chloro-2-hydroxyphenyl)-2-methoxybenzene-1-sulfonamide, WD repeat-containing protein 5
Authors:	Zhao, B, Wang, F.
Deposit date:	2019-08-30
Release date:	2019-12-04
Last modified:	2023-10-11
Method:	X-RAY DIFFRACTION (1.2 Å)
Cite:	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

6U8L

Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction
Descriptor:	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
Authors:	Zhao, B, Wang, F.
Deposit date:	2019-09-05
Release date:	2019-12-04
Last modified:	2023-10-11
Method:	X-RAY DIFFRACTION (1.57 Å)
Cite:	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

6V9N

Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods
Descriptor:	4-phenoxybenzene-1-sulfonamide, FORMIC ACID, GLYCEROL, ...
Authors:	Phan, J, Fesik, S.W.
Deposit date:	2019-12-13
Release date:	2020-08-26
Last modified:	2024-11-13
Method:	X-RAY DIFFRACTION (1.648 Å)
Cite:	Discovery of Sulfonamide-Derived Agonists of SOS1-Mediated Nucleotide Exchange on RAS Using Fragment-Based Methods. J.Med.Chem., 63, 2020

6UOZ

Discovery of fragment-inspired heterocyclic benzenesulfonmides as inhibitors of the WDR5-MYC interaction
Descriptor:	5-bromo-3-chloro-N-[1-cyclopentyl-2-(methylsulfonyl)-1H-imidazol-4-yl]-2-hydroxybenzene-1-sulfonamide, WD repeat domain 5
Authors:	Zhao, B.
Deposit date:	2019-10-16
Release date:	2020-04-15
Last modified:	2023-10-11
Method:	X-RAY DIFFRACTION (1.532 Å)
Cite:	Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design. J.Med.Chem., 63, 2020

6V9M

Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods
Descriptor:	4-fluoro-2-methyl-N-propylbenzene-1-sulfonamide, FORMIC ACID, GLYCEROL, ...
Authors:	Phan, J, Fesik, S.W.
Deposit date:	2019-12-13
Release date:	2020-08-26
Last modified:	2024-11-06
Method:	X-RAY DIFFRACTION (1.648 Å)
Cite:	Discovery of Sulfonamide-Derived Agonists of SOS1-Mediated Nucleotide Exchange on RAS Using Fragment-Based Methods. J.Med.Chem., 63, 2020

6V9L

Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods
Descriptor:	4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide, ACETATE ION, FORMIC ACID, ...
Authors:	Phan, J, Fesik, S.W.
Deposit date:	2019-12-13
Release date:	2020-08-26
Last modified:	2024-10-23
Method:	X-RAY DIFFRACTION (1.698 Å)
Cite:	Discovery of Sulfonamide-Derived Agonists of SOS1-Mediated Nucleotide Exchange on RAS Using Fragment-Based Methods. J.Med.Chem., 63, 2020

6UJ4

Discovery of fragment-inspired heterocyclic benzenesulfonmides as inhibitors of the WDR5-MYC interaction
Descriptor:	5-bromo-3-chloro-N-(1-cyclopentyl-2-methyl-1H-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide, WD repeat domain 5
Authors:	Zhao, B.
Deposit date:	2019-10-02
Release date:	2020-04-15
Last modified:	2023-10-11
Method:	X-RAY DIFFRACTION (1.53 Å)
Cite:	Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design. J.Med.Chem., 63, 2020

6UJL

Discovery of fragment-inspired heterocyclic benzenesulfonamides as inhibitors of the WDR5-MYC interaction
Descriptor:	6-methyl-3-(propylsulfanyl)-1,2,4-triazin-5-ol, WD repeat-containing protein 5
Authors:	Phan, J.
Deposit date:	2019-10-03
Release date:	2020-04-15
Last modified:	2023-10-11
Method:	X-RAY DIFFRACTION (1.599 Å)
Cite:	Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design. J.Med.Chem., 63, 2020

6U8O

Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction
Descriptor:	5-bromo-N-[5-(1-cyanocyclobutyl)-2-hydroxyphenyl]-2-hydroxybenzene-1-sulfonamide, WD repeat-containing protein 5
Authors:	Zhao, B, Wang, F.
Deposit date:	2019-09-05
Release date:	2019-12-04
Last modified:	2023-10-11
Method:	X-RAY DIFFRACTION (1.6 Å)
Cite:	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

6UJJ

Discovery of fragment-inspired heterocyclic benzenesulfonamides as inhibitors of the WDR5-MYC interaction
Descriptor:	5-[4-(trifluoromethyl)phenyl]-1H-tetrazole, WD repeat-containing protein 5
Authors:	Phan, J.
Deposit date:	2019-10-03
Release date:	2020-04-15
Last modified:	2023-10-11
Method:	X-RAY DIFFRACTION (1.731 Å)
Cite:	Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design. J.Med.Chem., 63, 2020

6UHY

WDR5 in complex with Myc site fragment inhibitor
Descriptor:	1-cyclohexyl-1H-benzimidazole-5-carboxylic acid, WDR5
Authors:	Wang, F, Fesik, S.W.
Deposit date:	2019-09-29
Release date:	2020-04-15
Last modified:	2024-03-13
Method:	X-RAY DIFFRACTION (1.26 Å)
Cite:	Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design. J.Med.Chem., 63, 2020

6UHZ

WDR5 in complex with Myc site fragment inhibitor
Descriptor:	1-cyclohexyl-1H-benzotriazole-5-carboxylic acid, WDR5
Authors:	Wang, F, Fesik, S.w.
Deposit date:	2019-09-29
Release date:	2020-04-15
Last modified:	2024-03-13
Method:	X-RAY DIFFRACTION (1.258 Å)
Cite:	Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design. J.Med.Chem., 63, 2020

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