PDB: 8717 resultsInfo pagesStatus searchChemie searchBIRD

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6UFX	WD repeat-containing protein 5 complexed with N-[(3,5-dimethoxyphenyl)methyl]-4'-fluoro-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-2'-methyl[1,1'-biphenyl]-3-carboxamide (compound 13) Descriptor: N-[(3,5-dimethoxyphenyl)methyl]-4'-fluoro-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-2'-methyl[1,1'-biphenyl]-3-carboxamide, WD repeat-containing protein 5 Authors: Rietz, T.A, Fesik, S.W, Zhao, B. Deposit date: 2019-09-25 Release date: 2020-01-01 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.015 Å) Cite: Discovery and Structure-Based Optimization of Potent and Selective WD Repeat Domain 5 (WDR5) Inhibitors Containing a Dihydroisoquinolinone Bicyclic Core. J.Med.Chem., 63, 2020
6UCS	Discovery and Structure-Based optimization of potent and selective WDR5 inhibitors containing a dihydroisoquinolinone bicyclic core Descriptor: 2-amino-3-{[(5P)-2-[(3,5-dimethoxyphenyl)methyl]-5-(4-fluoro-2-methylphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl}-1-methyl-1H-imidazol-3-ium, WD repeat-containing protein 5 Authors: Zhao, B. Deposit date: 2019-09-17 Release date: 2020-01-01 Last modified: 2024-05-15 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Discovery and Structure-Based Optimization of Potent and Selective WD Repeat Domain 5 (WDR5) Inhibitors Containing a Dihydroisoquinolinone Bicyclic Core. J.Med.Chem., 63, 2020
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
6ZDP	Structure of telomerase from Candida Tropicalis in complexe with TWJ fragment of telomeric RNA Descriptor: Chains: B, POTASSIUM ION, Telomerase reverse transcriptase Authors: Zhai, L, Rety, S, Chen, W.F, Auguin, D, Xi, X.G. Deposit date: 2020-06-15 Release date: 2021-04-28 Last modified: 2021-05-12 Method: X-RAY DIFFRACTION (2.85 Å) Cite: Crystal structures of N-terminally truncated telomerase reverse transcriptase from fungi‡. Nucleic Acids Res., 49, 2021
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
6NUU	Structure of Calcineurin mutant in complex with NHE1 peptide Descriptor: CALCIUM ION, Calcineurin subunit B type 1, DI(HYDROXYETHYL)ETHER, ... Authors: Wang, X, Page, R, Peti, W. Deposit date: 2019-02-02 Release date: 2019-07-03 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Molecular basis for the binding and selective dephosphorylation of Na+/H+exchanger 1 by calcineurin. Nat Commun, 10, 2019
6NUF	Structure of Calcineurin in complex with NHE1 peptide Descriptor: CALCIUM ION, Calcineurin subunit B type 1, DI(HYDROXYETHYL)ETHER, ... Authors: Wang, X, Page, R, Peti, W. Deposit date: 2019-01-31 Release date: 2019-07-03 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Molecular basis for the binding and selective dephosphorylation of Na+/H+exchanger 1 by calcineurin. Nat Commun, 10, 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
7QSC	GTPase IN COMPLEX WITH GDP.MGF3- Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rho GTPase-activating protein 1, ... Authors: Baumann, P, Jin, Y. Deposit date: 2022-01-13 Release date: 2023-01-25 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.91 Å) Cite: GTPase IN COMPLEX WITH GDP.MGF3- To Be Published
7QTM	Transition state analogue of small G protein in complex with relevant GAP Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rho GTPase-activating protein 1, ... Authors: Baumann, P, Jin, Y. Deposit date: 2022-01-14 Release date: 2023-01-25 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Transition state analogue of small G protein in complex with relevant GAP To Be Published
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
7X5F	Nrf2-MafG heterodimer bound with CsMBE2 Descriptor: Nuclear factor erythroid 2-related factor 2, Synthetic DNA, Transcription factor MafG Authors: Sengoku, T, Shiina, M, Suzuki, K, Hamada, K, Sato, K, Uchiyama, A, Okada, C, Baba, S, Ohta, T, Motohashi, H, Yamamoto, M, Ogata, K. Deposit date: 2022-03-04 Release date: 2022-11-09 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Structural basis of transcription regulation by CNC family transcription factor, Nrf2. Nucleic Acids Res., 50, 2022
7X5G	Nrf2 (A510Y)-MafG heterodimer bound with CsMBE2 Descriptor: DNA (5'-D(*CP*AP*CP*AP*GP*TP*GP*AP*CP*TP*CP*AP*GP*CP*AP*G)-3'), DNA (5'-D(*GP*CP*TP*GP*CP*TP*GP*AP*GP*TP*CP*AP*CP*TP*GP*T)-3'), Nuclear factor erythroid 2-related factor 2, ... Authors: Sengoku, T, Shiina, M, Suzuki, K, Hamada, K, Sato, K, Uchiyama, A, Okada, C, Baba, S, Ohta, T, Motohashi, H, Yamamoto, M, Ogata, K. Deposit date: 2022-03-04 Release date: 2022-11-09 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Structural basis of transcription regulation by CNC family transcription factor, Nrf2. Nucleic Acids Res., 50, 2022
7X5E	Nrf2-MafG heterodimer bound with CsMBE1 Descriptor: DNA (5'-D(*CP*AP*TP*GP*AP*TP*GP*AP*GP*TP*CP*AP*GP*CP*AP*A)-3'), DNA (5'-D(*GP*TP*TP*GP*CP*TP*GP*AP*CP*TP*CP*AP*TP*CP*AP*T)-3'), HEXAETHYLENE GLYCOL, ... Authors: Sengoku, T, Shiina, M, Suzuki, K, Hamada, K, Sato, K, Uchiyama, A, Okada, C, Baba, S, Ohta, T, Motohashi, H, Yamamoto, M, Ogata, K. Deposit date: 2022-03-04 Release date: 2022-11-09 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Structural basis of transcription regulation by CNC family transcription factor, Nrf2. Nucleic Acids Res., 50, 2022
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
7OZH	PMCA-amplified alpha-synuclein fibril polymorph, Multiple System Atrophy patient-derived seeds Descriptor: Alpha-synuclein Authors: Frieg, B, Geraets, J.A, Schroeder, G.F. Deposit date: 2021-06-28 Release date: 2022-07-13 Last modified: 2024-07-17 Method: ELECTRON MICROSCOPY (3.02 Å) Cite: alpha-synuclein polymorphism determines oligodendroglial dysfunction To Be Published
7OZG	PMCA-amplified alpha-synuclein fibril polymorph, Parkinson's Disease patient-derived seeds Descriptor: Alpha-synuclein Authors: Frieg, B, Geraets, J.A, Schroeder, G.F. Deposit date: 2021-06-28 Release date: 2022-07-13 Last modified: 2024-07-17 Method: ELECTRON MICROSCOPY (3.3 Å) Cite: alpha-synuclein polymorphism determines oligodendroglial dysfunction To Be Published
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
8T5I	Crystal structure of human WDR5 in complex with MR4397 Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-[(2S)-1-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-1-oxopentan-2-yl]-3-[(1H-imidazol-1-yl)methyl]benzamide, ... Authors: Kimani, S, Dong, A, Li, F, Loppnau, P, Ackloo, S, Vedadi, M, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) Deposit date: 2023-06-13 Release date: 2023-08-09 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Crystal structure of human WDR5 in complex with MR4397 To be published
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
7WVB	Human Fructose-1,6-bisphosphatase 1 mutant R50A in APO R-state Descriptor: Fructose-1,6-bisphosphatase 1 Authors: Chen, Y, Zhang, J, Li, C, Cao, Y. Deposit date: 2022-02-10 Release date: 2023-02-15 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.09 Å) Cite: Human Fructose-1,6-bisphosphatase 1 mutant R50A in APO R-state To Be Published
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

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