PDB: 2341 resultsInfo pagesStatus searchChemie searchBIRD

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7UAS	Discovery of Potent Orally Bioavailable WD Repeat Domain 5 (WDR5) Inhibitors Using a Pharmacophore-Based Optimization Descriptor: (5P)-2-[(S)-cyclopropyl(4-methylpyridin-2-yl)methyl]-5-[1-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-7-[(2-methyl-1H-imidazol-1-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one, WD repeat-containing protein 5 Authors: Zhao, B. Deposit date: 2022-03-14 Release date: 2022-05-04 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.808 Å) Cite: Discovery of Potent Orally Bioavailable WD Repeat Domain 5 (WDR5) Inhibitors Using a Pharmacophore-Based Optimization. J.Med.Chem., 65, 2022
7WVK	Crystal structure of human WDR5 in complex with compound 19 Descriptor: 1,2-ETHANEDIOL, 1-[2,5-bis(chloranyl)phenyl]sulfonylbenzimidazole, GLYCEROL, ... Authors: Han, Q.L, Zhang, X.L, Wang, L, Ren, P.X, Cao, Y, Li, K, Bai, F. Deposit date: 2022-02-10 Release date: 2022-10-19 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.42 Å) Cite: Discovery, evaluation and mechanism study of WDR5-targeted small molecular inhibitors for neuroblastoma. Acta Pharmacol.Sin., 44, 2023
8ENY	Crystal structure of alpha-COPI-WD40 domain R13A mutant. Descriptor: ACETYL GROUP, Putative coatomer subunit alpha Authors: Dey, D, Hasan, S.S. Deposit date: 2022-09-30 Release date: 2024-01-31 Method: X-RAY DIFFRACTION (1.9 Å) Cite: A single C-terminal residue controls SARS-CoV-2 spike trafficking and incorporation into VLPs. Nat Commun, 14, 2023
8ENS	Crystal structure of beta'-COPI-WD40 domain in complex with SARS-CoV-2 spike tail hepta-peptide Descriptor: Coatomer subunit beta', spike tail hepta-peptide Authors: Dey, D, Hasan, S.S. Deposit date: 2022-09-30 Release date: 2024-01-31 Method: X-RAY DIFFRACTION (1.45 Å) Cite: A single C-terminal residue controls SARS-CoV-2 spike trafficking and incorporation into VLPs. Nat Commun, 14, 2023
8ENX	Crystal structure of beta'-COPI-WD40 domain Y33A mutant in complex with SARS-CoV-2 clientized spike tail heptapeptide. Descriptor: Clientized spike tail heptapeptide, Coatomer subunit beta' Authors: Dey, D, Hasan, S.S. Deposit date: 2022-09-30 Release date: 2024-01-31 Method: X-RAY DIFFRACTION (1.8 Å) Cite: A single C-terminal residue controls SARS-CoV-2 spike trafficking and incorporation into VLPs. Nat Commun, 14, 2023
8ENZ	Crystal structure of alpha-COPI-WD40 domain K15A mutant. Descriptor: ACETYL GROUP, Putative coatomer subunit alpha Authors: Dey, D, Hasan, S.S. Deposit date: 2022-09-30 Release date: 2024-01-31 Method: X-RAY DIFFRACTION (1.65 Å) Cite: A single C-terminal residue controls SARS-CoV-2 spike trafficking and incorporation into VLPs. Nat Commun, 14, 2023
8ENW	Crystal structure of beta'-COPI-WD40 domain in complex with SARS-CoV-2 clientized spike tail heptapeptide. Descriptor: 1,2-ETHANEDIOL, Clientized spike tail peptide, Coatomer subunit beta' Authors: Dey, D, Hasan, S.S. Deposit date: 2022-09-30 Release date: 2024-01-31 Method: X-RAY DIFFRACTION (1.45 Å) Cite: A single C-terminal residue controls SARS-CoV-2 spike trafficking and incorporation into VLPs. Nat Commun, 14, 2023
8EO0	Crystal structure of alpha-COPI WD40 domain R300A mutant. Descriptor: ACETYL GROUP, Putative coatomer subunit alpha Authors: Dey, D, Hasan, S.S. Deposit date: 2022-10-01 Release date: 2024-01-31 Method: X-RAY DIFFRACTION (1.8 Å) Cite: A single C-terminal residue controls SARS-CoV-2 spike trafficking and incorporation into VLPs. Nat Commun, 14, 2023
8F1G	Crystal structure of human WDR5 in complex with compound WM662 Descriptor: (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, ... Authors: Liu, H. Deposit date: 2022-11-05 Release date: 2023-01-11 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2.14 Å) Cite: Discovery of Potent Small-Molecule Inhibitors of WDR5-MYC Interaction. Acs Chem.Biol., 18, 2023
8F93	WDR5 covalently modified at Y228 by (R)-2-SF Descriptor: 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, ... Authors: Taunton, J, Craven, G.B, Chen, Y. Deposit date: 2022-11-23 Release date: 2023-05-31 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Direct mapping of ligandable tyrosines and lysines in cells with chiral sulfonyl fluoride probes. Nat.Chem., 15, 2023
8EVL	Crystal structure of alpha-COPI N-terminal WD40 domain Descriptor: Putative coatomer subunit alpha Authors: Dey, D, Hasan, S.S. Deposit date: 2022-10-20 Release date: 2023-08-30 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Strategies for rapid production of crystallization quality coatomer WD40 domains. Protein Expr.Purif., 212, 2023
8EWX	N-terminal WD40 domain of beta'-COPI subunit with two chains in the asymmetric unit Descriptor: Coatomer subunit beta' Authors: Dey, D, Hasan, S.S. Deposit date: 2022-10-24 Release date: 2023-08-30 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.24 Å) Cite: Strategies for rapid production of crystallization quality coatomer WD40 domains. Protein Expr.Purif., 212, 2023
8F0E	N-terminal WD40 domain of beta'-COPI subunit with four chains in the asymmetric unit Descriptor: Coatomer subunit beta' Authors: Dey, D, Hasan, S.S. Deposit date: 2022-11-02 Release date: 2023-08-30 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.31 Å) Cite: Strategies for rapid production of crystallization quality coatomer WD40 domains. Protein Expr.Purif., 212, 2023
8G3E	Crystal structure of human WDR5 in complex with (1M)-N-[(3,5-difluoro[1,1'-biphenyl]-4-yl)methyl]-6-methyl-4-oxo-1-(pyridin-3-yl)-1,4-dihydropyridazine-3-carboxamide (compound 2, WDR5-MYC inhibitor) Descriptor: (1M)-N-[(3,5-difluoro[1,1'-biphenyl]-4-yl)methyl]-6-methyl-4-oxo-1-(pyridin-3-yl)-1,4-dihydropyridazine-3-carboxamide, WD repeat-containing protein 5 Authors: Zhao, M. Deposit date: 2023-02-07 Release date: 2023-06-28 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.33 Å) Cite: Discovery and Structure-Based Design of Inhibitors of the WD Repeat-Containing Protein 5 (WDR5)-MYC Interaction. J.Med.Chem., 66, 2023
8G3C	Crystal structure of human WDR5 in complex with N-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxamide (compound 1, WDR5-MYC PPI inhibitor) Descriptor: N-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxamide, WD repeat-containing protein 5 Authors: Zhao, M. Deposit date: 2023-02-07 Release date: 2023-06-28 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Discovery and Structure-Based Design of Inhibitors of the WD Repeat-Containing Protein 5 (WDR5)-MYC Interaction. J.Med.Chem., 66, 2023
8HMX	WDR5 in complex with histone H3Q5his peptide Descriptor: WD repeat-containing protein 5, histone H3Q5his peptide Authors: Li, H.T, Zhao, S, Wang, H.F. Deposit date: 2022-12-06 Release date: 2023-12-13 Method: X-RAY DIFFRACTION (1.7 Å) Cite: WDR5 in complex with histone H3Q5his peptide To Be Published
8HQX	The complex structure of COPI cargo sorting module with TAT-WDM peptide Descriptor: Coatomer subunit beta', TAT-WDM KxKxx motif Authors: Ma, W.F, Nan, Y.N, Yang, M.R, Li, Y.Q. Deposit date: 2022-12-14 Release date: 2023-12-20 Method: X-RAY DIFFRACTION (1.538 Å) Cite: The complex structure of COPI cargo sorting module with TAT-WDM peptide To Be Published
8HQT	The complex structure of COPI cargo sorting module with SARS-CoV-2 Spike KxHxx sorting motif Descriptor: Coatomer subunit beta', SARS-CoV-2 Spike KxHxx motif Authors: Ma, W.F, Nan, Y.N, Yang, M.R, Li, Y.Q. Deposit date: 2022-12-14 Release date: 2023-12-20 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Tighter ER retention of SARS-CoV-2 Omicron spike caused by a constellation of folding disruptive mutations To Be Published
8HQW	The complex structure of COPI cargo sorting module with MHV Spike Hxx sorting motif Descriptor: Coatomer subunit beta',MHV Spike Hxx sorting motif Authors: Ma, W.F, Nan, Y.N, Yang, M.R, Li, Y.Q. Deposit date: 2022-12-14 Release date: 2023-12-20 Method: X-RAY DIFFRACTION (1.405 Å) Cite: Tighter ER retention of SARS-CoV-2 Omicron spike caused by a constellation of folding disruptive mutations To Be Published
8HQV	The complex structure of COPI cargo sorting module with HCoV-OC43 Spike KTSHxx sorting motif Descriptor: Coatomer subunit beta', HCoV-OC43 Spike KTSHxx sorting motif Authors: Ma, W.F, Nan, Y.N, Yang, M.R, Li, Y.Q. Deposit date: 2022-12-14 Release date: 2023-12-20 Method: X-RAY DIFFRACTION (1.398 Å) Cite: Tighter ER retention of SARS-CoV-2 Omicron spike caused by a constellation of folding disruptive mutations To Be Published
8Q1N	Cyclic peptide binder of the WBM-site of WDR5 Descriptor: Cyclic peptide inhibitor, WD repeat-containing protein 5 Authors: Schmeing, S, Chang, J.Y, t Hart, P, Gasper, R. Deposit date: 2023-08-01 Release date: 2023-09-06 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.843 Å) Cite: Macrocyclic peptides as inhibitors of WDR5-lncRNA interactions. Chem.Commun.(Camb.), 59, 2023
8SIU	Origin Recognition Complex Associated (ORCA) protein bound to Orc2 Descriptor: Leucine-rich repeat and WD repeat-containing protein 1, Origin recognition complex subunit 2, SULFATE ION Authors: Bleichert, F, Ekundayo, B.E. Deposit date: 2023-04-17 Release date: 2023-08-02 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.8 Å) Cite: A dual role for the chromatin reader ORCA/LRWD1 in targeting the origin recognition complex to chromatin. Embo J., 42, 2023
1A0R	HETEROTRIMERIC COMPLEX OF PHOSDUCIN/TRANSDUCIN BETA-GAMMA Descriptor: FARNESYL, PHOSDUCIN, TRANSDUCIN (BETA SUBUNIT), ... Authors: Loew, A, Ho, Y.-K, Blundell, T.L, Bax, B. Deposit date: 1997-12-05 Release date: 1998-12-30 Last modified: 2023-08-02 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Phosducin induces a structural change in transducin beta gamma. Structure, 6, 1998
1B9Y	STRUCTURAL ANALYSIS OF PHOSDUCIN AND ITS PHOSPHORYLATION-REGULATED INTERACTION WITH TRANSDUCIN BETA-GAMMA Descriptor: GADOLINIUM ATOM, PROTEIN (PHOSDUCIN), PROTEIN (TRANSDUCIN) Authors: Gaudet, R, Sigler, P.B. Deposit date: 1999-02-16 Release date: 1999-02-23 Last modified: 2023-08-09 Method: X-RAY DIFFRACTION (3 Å) Cite: A molecular mechanism for the phosphorylation-dependent regulation of heterotrimeric G proteins by phosducin. Mol.Cell, 3, 1999
1B9X	STRUCTURAL ANALYSIS OF PHOSDUCIN AND ITS PHOSPHORYLATION-REGULATED INTERACTION WITH TRANSDUCIN Descriptor: GADOLINIUM ATOM, PROTEIN (PHOSDUCIN), PROTEIN (TRANSDUCIN) Authors: Gaudet, R, Sigler, P.B. Deposit date: 1999-02-16 Release date: 1999-02-23 Last modified: 2023-08-09 Method: X-RAY DIFFRACTION (3 Å) Cite: A molecular mechanism for the phosphorylation-dependent regulation of heterotrimeric G proteins by phosducin. Mol.Cell, 3, 1999

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