9DQJ
 
 | CryoEM structure of Gq-coupled MRGPRD with a new agonist EP-3945 | Descriptor: | 2-({1-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]piperidin-4-yl}amino)quinazolin-4(3H)-one, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Cao, C, Wang, C, Liu, Y, Fay, J.F, Roth, B.L. | Deposit date: | 2024-09-24 | Release date: | 2024-12-11 | Last modified: | 2025-05-28 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | High-affinity agonists reveal recognition motifs for the MRGPRD GPCR. Cell Rep, 43, 2024
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9FBX
 
 | C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 5-(1-benzyl-4-chloro-1H-imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one | Descriptor: | 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 5-(1-benzyl-4-chloro-1H-imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one, ... | Authors: | Chung, C. | Deposit date: | 2024-05-14 | Release date: | 2024-06-26 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.602 Å) | Cite: | Structure- and Property-Based Optimization of Efficient Pan-Bromodomain and Extra Terminal Inhibitors to Identify Oral and Intravenous Candidate I-BET787. J.Med.Chem., 67, 2024
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9FBY
 
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9EO9
 
 | SF type tau filament from V337M mutant | Descriptor: | Isoform Tau-F of Microtubule-associated protein tau | Authors: | Qi, C, Scheres, S.H.W, Michel, G. | Deposit date: | 2024-03-14 | Release date: | 2024-07-10 | Last modified: | 2025-03-26 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Tau filaments with the Alzheimer fold in human MAPT mutants V337M and R406W. Nat.Struct.Mol.Biol., 2025
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9EO7
 
 | PHF type tau filament from V337M mutant | Descriptor: | Isoform Tau-F of Microtubule-associated protein tau | Authors: | Qi, C, Scheres, S.H.W, Michel, G. | Deposit date: | 2024-03-14 | Release date: | 2024-07-10 | Last modified: | 2025-03-26 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Tau filaments with the Alzheimer fold in human MAPT mutants V337M and R406W. Nat.Struct.Mol.Biol., 2025
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9EOE
 
 | TF type tau filament from V337M mutant | Descriptor: | Isoform Tau-F of Microtubule-associated protein tau | Authors: | Qi, C, Scheres, S.H.W, Michel, G. | Deposit date: | 2024-03-14 | Release date: | 2024-07-10 | Last modified: | 2025-03-26 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | Tau filaments with the Alzheimer fold in human MAPT mutants V337M and R406W. Nat.Struct.Mol.Biol., 2025
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9FCZ
 
 | Coxsackievirus A9 bound with compound 17 (CL301) | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | Authors: | Plavec, Z, Butcher, S.J, Mitchell, C, Buckner, C. | Deposit date: | 2024-05-16 | Release date: | 2024-10-02 | Last modified: | 2024-10-23 | Method: | ELECTRON MICROSCOPY (2.53 Å) | Cite: | SAR Analysis of Novel Coxsackie virus A9 Capsid Binders. J.Med.Chem., 67, 2024
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9EXI
 
 | Coxsackievirus A9 bound with compound 14 (CL275) | Descriptor: | 4-[(4-methylpiperazin-1-yl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]aniline, Capsid protein VP1, Capsid protein VP2, ... | Authors: | Plavec, Z, Butcher, S.J, Mitchell, C, Buckner, C. | Deposit date: | 2024-04-08 | Release date: | 2024-10-02 | Last modified: | 2024-10-23 | Method: | ELECTRON MICROSCOPY (2.31 Å) | Cite: | SAR Analysis of Novel Coxsackie virus A9 Capsid Binders. J.Med.Chem., 67, 2024
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9FA9
 
 | Coxsackievirus A9 bound with compound 16 (CL298) | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | Authors: | Plavec, Z, Butcher, S.J, Mitchell, C, Buckner, C. | Deposit date: | 2024-05-10 | Release date: | 2024-10-02 | Last modified: | 2024-10-23 | Method: | ELECTRON MICROSCOPY (2.75 Å) | Cite: | SAR Analysis of Novel Coxsackie virus A9 Capsid Binders. J.Med.Chem., 67, 2024
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8ROB
 
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8ROF
 
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8RO7
 
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8RO8
 
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8RO9
 
 | Human cohesin SMC1A-HD(longCC-EQ)/RAD21-C complex - Open/closed P-loop conformation | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 64-kDa C-terminal product, Structural maintenance of chromosomes protein 1A | Authors: | Vitoria Gomes, M, Romier, C. | Deposit date: | 2024-01-11 | Release date: | 2024-09-11 | Last modified: | 2025-03-26 | Method: | X-RAY DIFFRACTION (1.767 Å) | Cite: | The cohesin ATPase cycle is mediated by specific conformational dynamics and interface plasticity of SMC1A and SMC3 ATPase domains. Cell Rep, 43, 2024
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8ROC
 
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8ROE
 
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8ROG
 
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8ROJ
 
 | Human cohesin SMC3-HD/RAD21-N complex - ADP-Mg-bound conformation | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Double-strand-break repair protein rad21 homolog, MAGNESIUM ION, ... | Authors: | Vitoria Gomes, M, Romier, C. | Deposit date: | 2024-01-11 | Release date: | 2024-09-11 | Last modified: | 2025-03-26 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The cohesin ATPase cycle is mediated by specific conformational dynamics and interface plasticity of SMC1A and SMC3 ATPase domains. Cell Rep, 43, 2024
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4CID
 
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8ROI
 
 | Human cohesin SMC3-HD(EQ)/RAD21-N complex - ADP-bound conformation | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Double-strand-break repair protein rad21 homolog, Structural maintenance of chromosomes protein 3 | Authors: | Vitoria Gomes, M, Romier, C. | Deposit date: | 2024-01-11 | Release date: | 2024-09-11 | Last modified: | 2025-03-26 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | The cohesin ATPase cycle is mediated by specific conformational dynamics and interface plasticity of SMC1A and SMC3 ATPase domains. Cell Rep, 43, 2024
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8ROA
 
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8ROH
 
 | Human cohesin SMC3-HD(EQ)/RAD21-N complex - Apo conformation | Descriptor: | Double-strand-break repair protein rad21 homolog, GLYCEROL, SULFATE ION, ... | Authors: | Vitoria Gomes, M, Romier, C. | Deposit date: | 2024-01-11 | Release date: | 2024-09-11 | Last modified: | 2025-03-26 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The cohesin ATPase cycle is mediated by specific conformational dynamics and interface plasticity of SMC1A and SMC3 ATPase domains. Cell Rep, 43, 2024
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8ROL
 
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4CLW
 
 | Crystal structure of human soluble Adenylyl Cyclase in complex with alpha,beta-methyleneadenosine-5'-triphosphate soaked with bisulfite | Descriptor: | 1,2-ETHANEDIOL, ADENYLATE CYCLASE TYPE 10, CALCIUM ION, ... | Authors: | Kleinboelting, S, Weyand, M, Steegborn, C. | Deposit date: | 2014-01-15 | Release date: | 2014-03-05 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal Structures of Human Soluble Adenylyl Cyclase Reveal Mechanisms of Catalysis and of its Activation Through Bicarbonate. Proc.Natl.Acad.Sci.USA, 111, 2014
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4CIY
 
 | Crystal structure of Mycobacterium tuberculosis type 2 dehydroquinase in complex with (1R,4R,5R)-1,4,5-trihydroxy-3-((1R)-1-hydroxy-2- phenyl)ethylcyclohex-2-en-1-carboxylic acid | Descriptor: | (1R,4R,5R)-1,4,5-trihydroxy-3-[(1R)-1-hydroxy-2-phenyl]ethylcyclohex-2-ene-1-carboxylic acid, 3-DEHYDROQUINATE DEHYDRATASE, CHLORIDE ION, ... | Authors: | Otero, J.M, Llamas-Saiz, A.L, Lamb, H, Hawkins, A.R, Blanco, B, Sedes, A, Peon, A, Gonzalez-Bello, C, van Raaij, M.J. | Deposit date: | 2013-12-17 | Release date: | 2014-04-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Exploring the water-binding pocket of the type II dehydroquinase enzyme in the structure-based design of inhibitors. J. Med. Chem., 57, 2014
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