6MWV
 
 | | CryoEM structure of Chimeric Eastern Equine Encephalitis Virus with Fab of EEEV-58 Antibody | | Descriptor: | E1, E2, EEEV-58 antibody heavy chain, ... | | Authors: | Hasan, S.S, Sun, C, Kim, A.S, Watanabe, Y, Chen, C.L, Klose, T, Buda, G, Crispin, M, Diamond, M.S, Klimstra, W.B, Rossmann, M.G. | | Deposit date: | 2018-10-30 | | Release date: | 2018-12-19 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (7.3 Å) | | Cite: | Cryo-EM Structures of Eastern Equine Encephalitis Virus Reveal Mechanisms of Virus Disassembly and Antibody Neutralization.
Cell Rep, 25, 2018
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1C9Q
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7UAK
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7VUN
 | | Design, modification, evaluation and cocrystal studies of novel phthalimides regulating PD-1/PD-L1 interaction | | Descriptor: | (2~{S},3~{S})-2-[[6-[(3-cyanophenyl)methoxy]-2-(2-methyl-3-phenyl-phenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]methylamino]-3-oxidanyl-butanoic acid, Programmed cell death 1 ligand 1 | | Authors: | Cheng, Y, Sun, C.L, Chen, M.R, Yang, P, Xiao, Y.B. | | Deposit date: | 2021-11-03 | | Release date: | 2022-09-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.701 Å) | | Cite: | Novel phthalimides regulating PD-1/PD-L1 interaction as potential immunotherapy agents.
Acta Pharm Sin B, 12, 2022
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8HNZ
 | | Crystal structure of cytochrome P450 NasF5053 mutant E73S complexed with 6FCWP | | Descriptor: | (3~{S},8~{a}~{S})-3-[(5-fluoranyl-1~{H}-indol-3-yl)methyl]-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, CALCIUM ION, Cytochrome P450-F5053, ... | | Authors: | Ma, B.D, Tian, W, Qu, X, Kong, X.D. | | Deposit date: | 2022-12-09 | | Release date: | 2023-04-19 | | Last modified: | 2023-07-12 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Engineering the Substrate Specificity of a P450 Dimerase Enables the Collective Biosynthesis of Heterodimeric Tryptophan-Containing Diketopiperazines.
Angew.Chem.Int.Ed.Engl., 62, 2023
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8HO1
 | | Crystal structure of cytochrome P450 NasF5053 mutant F387G | | Descriptor: | CALCIUM ION, Cytochrome P450-F5053, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Ma, B.D, Tian, W, Qu, X, Kong, X.D. | | Deposit date: | 2022-12-09 | | Release date: | 2023-04-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Engineering the Substrate Specificity of a P450 Dimerase Enables the Collective Biosynthesis of Heterodimeric Tryptophan-Containing Diketopiperazines.
Angew.Chem.Int.Ed.Engl., 62, 2023
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8HO0
 | | Crystal structure of cytochrome P450 NasF5053 mutant E73S complexed with 8FCWP | | Descriptor: | (3~{S},8~{a}~{S})-3-[(7-fluoranyl-1~{H}-indol-3-yl)methyl]-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, CALCIUM ION, Cytochrome P450-F5053, ... | | Authors: | Ma, B.D, Tian, W, Qu, X, Kong, X.D. | | Deposit date: | 2022-12-09 | | Release date: | 2023-04-19 | | Last modified: | 2023-07-12 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Engineering the Substrate Specificity of a P450 Dimerase Enables the Collective Biosynthesis of Heterodimeric Tryptophan-Containing Diketopiperazines.
Angew.Chem.Int.Ed.Engl., 62, 2023
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8HNY
 | | Crystal structure of cytochrome P450 NasF5053 mutant E73S complexed with 5FCWP | | Descriptor: | (3~{S},8~{a}~{S})-3-[(4-fluoranyl-1~{H}-indol-3-yl)methyl]-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, Cytochrome P450-F5053, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Ma, B.D, Tian, W, Qu, X, Kong, X.D. | | Deposit date: | 2022-12-09 | | Release date: | 2023-04-26 | | Last modified: | 2023-07-12 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Engineering the Substrate Specificity of a P450 Dimerase Enables the Collective Biosynthesis of Heterodimeric Tryptophan-Containing Diketopiperazines.
Angew.Chem.Int.Ed.Engl., 62, 2023
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2IHQ
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5WRO
 | | Crystal structure of Drosophila enolase | | Descriptor: | CADMIUM ION, CHLORIDE ION, COBALT (II) ION, ... | | Authors: | Zhang, Z, Shi, Z. | | Deposit date: | 2016-12-02 | | Release date: | 2017-04-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.015 Å) | | Cite: | Crystal structure of enolase from Drosophila melanogaster.
Acta Crystallogr F Struct Biol Commun, 73, 2017
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8SQN
 | | CryoEM structure of Western equine encephalitis virus VLP in complex with the chimeric Du-D1-Mo-D2 MXRA8 receptor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DuD1MoD2 chimeric MXRA8, E1 envelope glycoprotein, ... | | Authors: | Zimmerman, M.I, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID) | | Deposit date: | 2023-05-04 | | Release date: | 2023-12-20 | | Method: | ELECTRON MICROSCOPY (3.89 Å) | | Cite: | Vertebrate-class-specific binding modes of the alphavirus receptor MXRA8.
Cell, 186, 2023
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6ODF
 | | EEEV glycoproteins bound with heparan sulfate | | Descriptor: | 2-O-sulfo-beta-L-galactopyranuronic acid-(1-4)-[(2R,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(sulfooxy)tetrahydro-2H-pyran-3-yl]sulfamic acid, E1, E2 | | Authors: | Rossmann, M.G, Chen, C.L. | | Deposit date: | 2019-03-26 | | Release date: | 2020-04-01 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (5.8 Å) | | Cite: | Cryo-EM structure of eastern equine encephalitis virus in complex with heparan sulfate analogues.
Proc.Natl.Acad.Sci.USA, 117, 2020
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8EJB
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6X81
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6X85
 | | Crystal Structure of TNFalpha with indolinone compound 9 | | Descriptor: | 1-{[2-(difluoromethoxy)phenyl]methyl}-2,2-dimethyl-1,2-dihydro-3H-indol-3-one, Tumor necrosis factor | | Authors: | Longenecker, K.L, Stoll, V.S. | | Deposit date: | 2020-06-01 | | Release date: | 2021-01-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Development of Orally Efficacious Allosteric Inhibitors of TNF alpha via Fragment-Based Drug Design.
J.Med.Chem., 64, 2021
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1CO1
 | | FOLD OF THE CBFA | | Descriptor: | CORE BINDING FACTOR ALPHA | | Authors: | Berardi, M.J, Bushweller, J.H. | | Deposit date: | 1999-05-31 | | Release date: | 2000-06-07 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | The Ig fold of the core binding factor alpha Runt domain is a member of a family of structurally and functionally related Ig-fold DNA-binding domains.
Structure Fold.Des., 7, 1999
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2MK5
 | | Solution structure of a protein domain | | Descriptor: | Endolysin | | Authors: | Feng, Y, Gu, J. | | Deposit date: | 2014-01-24 | | Release date: | 2014-05-28 | | Last modified: | 2019-12-18 | | Method: | SOLUTION NMR | | Cite: | Structural and biochemical characterization reveals LysGH15 as an unprecedented "EF-hand-like" calcium-binding phage lysin.
Plos Pathog., 10, 2014
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8JJM
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6X83
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6X82
 | | Crystal Structure of TNFalpha with isoquinoline compound 4 | | Descriptor: | 8-[4-(2-{5-[(4-methylpiperazin-1-yl)methyl]-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)phenoxy}ethyl)phenyl]isoquinoline, Tumor necrosis factor | | Authors: | Longenecker, K.L, Stoll, V.S. | | Deposit date: | 2020-06-01 | | Release date: | 2021-01-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Development of Orally Efficacious Allosteric Inhibitors of TNF alpha via Fragment-Based Drug Design.
J.Med.Chem., 64, 2021
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6X86
 | | Crystal Structure of TNFalpha with indolinone compound 11 | | Descriptor: | 3-[(6-{2-[(3R)-4-(hydroxyacetyl)-3-methylpiperazin-1-yl]pyrimidin-5-yl}-2,2-dimethyl-3-oxo-2,3-dihydro-1H-indol-1-yl)methyl]pyridine-2-carbonitrile, Tumor necrosis factor | | Authors: | Longenecker, K.L, Stoll, V.S. | | Deposit date: | 2020-06-01 | | Release date: | 2021-01-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.93 Å) | | Cite: | Development of Orally Efficacious Allosteric Inhibitors of TNF alpha via Fragment-Based Drug Design.
J.Med.Chem., 64, 2021
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2FHY
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8USS
 | | IL17A complexed to Compound 7 | | Descriptor: | 4,5-dichloro-N-[(1S)-1-cyclohexyl-2-{[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]amino}-2-oxoethyl]-1H-pyrrole-2-carboxamide, CHLORIDE ION, Interleukin-17A | | Authors: | Argiriadi, M.A, Ramos, A.L. | | Deposit date: | 2023-10-29 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Discovery of Small Molecule Interleukin 17A Inhibitors with Novel Binding Mode and Stoichiometry: Optimization of DNA-Encoded Chemical Library Hits to In Vivo Active Compounds.
J.Med.Chem., 2024
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8USR
 | | IL17A homodimer complexed to Compound 23 | | Descriptor: | Interleukin-17A, ~{N}-[(2~{S})-1-[[(1~{S})-1-(8~{a}~{H}-imidazo[1,2-a]pyrimidin-2-yl)ethyl]amino]-1-oxidanylidene-4-phenyl-butan-2-yl]-4,5-bis(chloranyl)-1~{H}-pyrrole-2-carboxamide | | Authors: | Argiriadi, M.A, Ramos, A.L. | | Deposit date: | 2023-10-29 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Discovery of Small Molecule Interleukin 17A Inhibitors with Novel Binding Mode and Stoichiometry: Optimization of DNA-Encoded Chemical Library Hits to In Vivo Active Compounds.
J.Med.Chem., 2024
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3O17
 | | Crystal Structure of JNK1-alpha1 isoform | | Descriptor: | C-Jun-amino-terminal kinase-interacting protein 1, JIP1, 10MER PEPTIDE, ... | | Authors: | Abad-Zapatero, C. | | Deposit date: | 2010-07-20 | | Release date: | 2011-01-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal Structure of JNK1-alpha1 isoform
TO BE PUBLISHED
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