1JQ2
 
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8QPG
 | | Turret of Haloferax tailed virus 1 | | Descriptor: | MAGNESIUM ION, Prokaryotic polysaccharide deacetylase, ZINC ION, ... | | Authors: | Zhang, D, Daum, B, Isupov, M.N, McLaren, M. | | Deposit date: | 2023-10-02 | | Release date: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (2.36 Å) | | Cite: | CryoEM structure of Haloferax tailed virus 1
To Be Published
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3CIK
 | | Human GRK2 in Complex with Gbetagamma subunits | | Descriptor: | Beta-adrenergic receptor kinase 1, 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: | Tesmer, J.J.G, Lodowski, D.T. | | Deposit date: | 2008-03-11 | | Release date: | 2009-02-17 | | Last modified: | 2012-03-07 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structure of human G protein-coupled receptor kinase 2 in complex with the kinase inhibitor balanol.
J.Med.Chem., 53, 2010
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8QPQ
 | | C1 turret to capsid interface of full Haloferax tailed virus 1 adjacent to the portal-capsid interface. | | Descriptor: | HK97 gp5-like major capsid protein, MAGNESIUM ION, Prokaryotic polysaccharide deacetylase, ... | | Authors: | Zhang, D, Daum, B, Isupov, M.N, McLaren, M. | | Deposit date: | 2023-10-02 | | Release date: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | CryoEM structure of Haloferax tailed virus 1
To Be Published
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8Y0R
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8Y0Q
 | | Complex of FMDV O/18074 and inter-serotype broadly neutralizing antibodies pOA-2 | | Descriptor: | VP1 of capsid protein, VP2 of capsid protein, VP3 of capsid protein, ... | | Authors: | Wu, S, Lei, D. | | Deposit date: | 2024-01-23 | | Release date: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (2.44 Å) | | Cite: | Discovery, evolution and recognizing antigenic structures of cross-serotype broadly neutralizing antibodies from porcine B-cell repertoires against foot-and-mouth disease virus
To Be Published
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9D9W
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5IME
 | | Crystal structure of P21-activated kinase 1 (PAK1) in complex with compound 9 | | Descriptor: | 8-(3-aminopropyl)-6-[2-chloro-4-(3-methyl-2-oxopyrazin-1(2H)-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Serine/threonine-protein kinase PAK 1 | | Authors: | Li, D, Wang, W. | | Deposit date: | 2016-03-06 | | Release date: | 2016-05-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.217 Å) | | Cite: | Chemically Diverse Group I p21-Activated Kinase (PAK) Inhibitors Impart Acute Cardiovascular Toxicity with a Narrow Therapeutic Window.
J.Med.Chem., 59, 2016
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8UXT
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1N7B
 | | RIP-Radiation-damage Induced Phasing | | Descriptor: | POTASSIUM ION, RNA/DNA (5'-R(*U)-D(P*(BGM))-R(P*AP*GP*GP*U)-3'), SPERMINE | | Authors: | Ravelli, R.B.G, Leiros, H.-K.S, Pan, B, Caffrey, M, McSweeney, S. | | Deposit date: | 2002-11-13 | | Release date: | 2003-03-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Specific Radiation-Damage Can Be Used To Solve Macromolecular Crystal Structures
Structure, 11, 2003
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5IS0
 | | Structure of TRPV1 in complex with capsazepine, determined in lipid nanodisc | | Descriptor: | Transient receptor potential cation channel subfamily V member 1, capsazepine | | Authors: | Gao, Y, Cao, E, Julius, D, Cheng, Y. | | Deposit date: | 2016-03-15 | | Release date: | 2016-05-25 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.43 Å) | | Cite: | TRPV1 structures in nanodiscs reveal mechanisms of ligand and lipid action.
Nature, 534, 2016
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8RRS
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1N8X
 | | Solution structure of HIV-1 Stem Loop SL1 | | Descriptor: | HIV-1 STEM LOOP SL1 MONOMERIC RNA | | Authors: | Lawrence, D.C, Stover, C.C, Noznitsky, J, Wu, Z, Summers, M.F. | | Deposit date: | 2002-11-21 | | Release date: | 2003-04-08 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure of the Intact Stem and Bulge of HIV-1 Psi-RNA Stem-Loop SL1
J.Mol.Biol., 326, 2003
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9B1D
 | | Cryo-EM structure of native SWR1 bound to DNA (composite structure) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin-like protein ARP6, DNA (147-MER), ... | | Authors: | Louder, R.K, Park, G, Wu, C. | | Deposit date: | 2024-03-13 | | Release date: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Molecular basis of global promoter sensing and nucleosome capture by the SWR1 chromatin remodeler
Cell(Cambridge,Mass.), 2024
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9B1E
 | | Cryo-EM structure of native SWR1 bound to nucleosome (composite structure) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin-like protein ARP6, BERYLLIUM TRIFLUORIDE ION, ... | | Authors: | Louder, R.K, Park, G, Wu, C. | | Deposit date: | 2024-03-13 | | Release date: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Molecular basis of global promoter sensing and nucleosome capture by the SWR1 chromatin remodeler
Cell(Cambridge,Mass.), 2024
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9B95
 | | Cryo-EM structure of the closed NF449-bound human P2X1 receptor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4,4',4'',4'''-{carbonylbis[azanediylbenzene-5,1,3-triylbis(carbonylazanediyl)]}tetra(benzene-1,3-disulfonic acid), P2X purinoceptor 1 | | Authors: | Felix, M.B, Alisa, G, Hariprasad, V, Jesse, I.M, David, M.T. | | Deposit date: | 2024-04-01 | | Release date: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (2.61 Å) | | Cite: | Structural insights into the human P2X1 receptor and ligand interactions
Nat Commun, 15, 2024
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3CZH
 | | Crystal structure of CYP2R1 in complex with vitamin D2 | | Descriptor: | (3S,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraen-3-ol, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), Cytochrome P450 2R1, ... | | Authors: | Strushkevich, N.V, Tempel, W, Gilep, A.A, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Wilkstrom, M, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-04-29 | | Release date: | 2008-08-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of CYP2R1 in complex with vitamin D2.
To be Published
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9BFD
 | | Tyrocidine synthetase modules 1 and 2 crosslinked in the condensation state, complex A | | Descriptor: | (7S,10aR)-1-methyl-4-{4-[(5R)-1,1,5-trihydroxy-4,4-dimethyl-1,6,11-trioxo-2-oxa-7,10-diaza-1lambda~5~-phosphadodecan-12-yl]phenyl}-3,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazin-7-yl [2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]carbamate, 5'-O-[(R)-hydroxy{[(2S)-pyrrolidin-2-ylcarbonyl]oxy}phosphoryl]adenosine, Tyrocidine synthase 1, ... | | Authors: | Heberlig, G.W, Burkart, M.D. | | Deposit date: | 2024-04-17 | | Release date: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (2.97 Å) | | Cite: | Crosslinking Reveals the Molecular Details of Intermodular Condensation and Epimerization in Nonribosomal Peptide Biosynthesis
To Be Published
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9BFF
 | | Tyrocidine synthetase modules 1 and 2 crosslinked in the condensation state, complex C | | Descriptor: | (7S,10aR)-1-methyl-4-{4-[(5R)-1,1,5-trihydroxy-4,4-dimethyl-1,6,10,15-tetraoxo-2-oxa-7,11,14-triaza-1lambda~5~-phosphahexadecan-16-yl]phenyl}-3,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazin-7-yl [(5R)-1,1,5-trihydroxy-4,4-dimethyl-1,6,10-trioxo-2-oxa-7,11-diaza-1lambda~5~-phosphatridecan-13-yl]carbamate (non-preferred name), Tyrocidine synthase 1, Tyrocidine synthase 2 | | Authors: | Heberlig, G.W, Burkart, M.D. | | Deposit date: | 2024-04-17 | | Release date: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3.31 Å) | | Cite: | Crosslinking Reveals the Molecular Details of Intermodular Condensation and Epimerization in Nonribosomal Peptide Biosynthesis
To Be Published
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9C2C
 | | Cryo-EM structure of the human P2X1 receptor in the NF449-bound inhibited state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4,4',4'',4'''-{carbonylbis[azanediylbenzene-5,1,3-triylbis(carbonylazanediyl)]}tetra(benzene-1,3-disulfonic acid), P2X purinoceptor 1 | | Authors: | Oken, A.C, Lisi, N.E, Ditter, I.A, Shi, H, Mansoor, S.E. | | Deposit date: | 2024-05-30 | | Release date: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Cryo-EM structures of the human P2X1 receptor reveal subtype-specific architecture and antagonism by supramolecular ligand-binding.
Nat Commun, 15, 2024
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9INW
 | | Crystal structure of DAPK1 in complex with compound 9 | | Descriptor: | (~{E})-1-[2,4-bis(oxidanyl)phenyl]-3-(3-chloranyl-4-oxidanyl-phenyl)prop-2-en-1-one, Death-associated protein kinase 1, SULFATE ION | | Authors: | Yokoyama, T. | | Deposit date: | 2024-07-08 | | Release date: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Discovery and optimization of isoliquiritigenin as a death-associated protein kinase 1 inhibitor.
Eur.J.Med.Chem., 279, 2024
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9INX
 | | Crystal structure of DAPK1 in complex with compound 10 | | Descriptor: | (~{E})-1-[2,4-bis(oxidanyl)phenyl]-3-(3-bromanyl-4-oxidanyl-phenyl)prop-2-en-1-one, Death-associated protein kinase 1, SULFATE ION | | Authors: | Yokoyama, T. | | Deposit date: | 2024-07-08 | | Release date: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Discovery and optimization of isoliquiritigenin as a death-associated protein kinase 1 inhibitor.
Eur.J.Med.Chem., 279, 2024
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8RRU
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7TRB
 | | CRYSTAL STRUCTURE OF FARNESOID X-ACTIVATED RECEPTOR COMPLEXED WITH COMPOUND-32 AKA (1S,3S)-N-({4-[5-(2-FLUOROPR OPAN-2-YL)-1,2,4-OXADIAZOL-3-YL]BICYCLO[2.2.2]OCTAN-1-YL}M ETHYL)-3-HYDROXY-N-[4'-(2-HYDROXYPROPAN-2-YL)-[1,1'-BIPHEN YL]-3-YL]-3-(TRIFLUOROMETHYL)CYCLOBUTANE-1-CARBOXAMIDE | | Descriptor: | (1s,3s)-N-({4-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]bicyclo[2.2.2]octan-1-yl}methyl)-3-hydroxy-N-[4'-(2-hydroxypropan-2-yl)[1,1'-biphenyl]-3-yl]-3-(trifluoromethyl)cyclobutane-1-carboxamide, Bile acid receptor, co-activator | | Authors: | Khan, J.A, Ruzanov, M. | | Deposit date: | 2022-01-28 | | Release date: | 2022-06-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Discovery of BMS-986339, a Pharmacologically Differentiated Farnesoid X Receptor Agonist for the Treatment of Nonalcoholic Steatohepatitis.
J.Med.Chem., 65, 2022
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8RRW
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