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8VWH
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BU of 8vwh by Molmil
Structure of the baculovirus major nucleocapsid protein VP39 (localised reconstruction)
Descriptor: Major capsid protein, ZINC ION
Authors:Johnstone, B.A, Hardy, J.M, Ha, J.H, Venugopal, H, Coulibaly, F.
Deposit date:2024-02-01
Release date:2024-11-06
Last modified:2025-05-21
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:The nucleocapsid architecture and structural atlas of the prototype baculovirus define the hallmarks of a new viral realm.
Sci Adv, 10, 2024
7LXS
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BU of 7lxs by Molmil
Structural and Biochemical Insight into Assembly of Molecular Motors Involved in Viral DNA Packaging
Descriptor: Terminase, small subunit
Authors:Ortega, M.E.
Deposit date:2021-03-04
Release date:2022-03-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structural and Biochemical Insight into Assembly of Molecular Motors Involved in Viral DNA Packaging
To Be Published
8VJD
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BU of 8vjd by Molmil
Human R14A Pin1 covalently bound to inhibitor 158F10 in P21 21 21 space group
Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Inhibitor 158F10, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ...
Authors:Rodriguez, I, Blaha, G.
Deposit date:2024-01-06
Release date:2024-11-06
Last modified:2025-03-05
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Targeted degradation of Pin1 by protein-destabilizing compounds.
Proc.Natl.Acad.Sci.USA, 121, 2024
5ILB
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BU of 5ilb by Molmil
Crystal structure of protease domain of Deg2 linked with the PDZ domain of Deg9
Descriptor: Protease Do-like 2, chloroplastic,Protease Do-like 9
Authors:Ouyang, M, Liu, L, Li, X.Y, Zhao, S, Zhang, L.X.
Deposit date:2016-03-04
Release date:2017-03-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.852 Å)
Cite:The crystal structure of Deg9 reveals a novel octameric-type HtrA protease
Nat Plants, 3, 2017
5VP1
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BU of 5vp1 by Molmil
Discovery of Clinical Candidate N-{(1S)-1-[3-Fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl}-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide (TAK-915), A Highly Potent, Selective, and Brain-Penetrating Phosphodiesterase 2A Inhibitor for the Treatment of Cognitive Disorders
Descriptor: MAGNESIUM ION, N-{(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl}-6-methyl-5-(3-methyl-1H-1,2,4-triazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide, ZINC ION, ...
Authors:Hoffman, I.D.
Deposit date:2017-05-03
Release date:2017-12-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Discovery of a Novel Series of Pyrazolo[1,5-a]pyrimidine-Based Phosphodiesterase 2A Inhibitors Structurally Different from N-((1S)-1-(3-Fluoro-4-(trifluoromethoxy)phenyl)-2-methoxyethyl)-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide (TAK-915), for the Treatment of Cognitive Disorders.
Chem. Pharm. Bull., 65, 2017
8VIT
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BU of 8vit by Molmil
Crystal structure of the N-terminal domain of fatty acid kinase A (FakA) from Staphylococcus aureus (Mg and ADP)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, FATTY ACID KINASE A, MAGNESIUM ION, ...
Authors:Lovell, S, Kashipathy, M.M, Battaile, K.P, Bose, J.L.
Deposit date:2024-01-05
Release date:2024-11-06
Last modified:2024-12-04
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Molecular insights into the structure and function of the Staphylococcus aureus fatty acid kinase.
J.Biol.Chem., 300, 2024
5ILV
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BU of 5ilv by Molmil
Uninhibited ETV5
Descriptor: ETS translocation variant 5
Authors:Whitby, F.G, Currie, S.L.
Deposit date:2016-03-04
Release date:2017-02-22
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structured and disordered regions cooperatively mediate DNA-binding autoinhibition of ETS factors ETV1, ETV4 and ETV5.
Nucleic Acids Res., 45, 2017
6VSE
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BU of 6vse by Molmil
Mycobacterium tuberculosis dihydrofolate reductase in complex with 3-(phenoxymethyl)benzoic acid(fragment 14)
Descriptor: 3-(phenoxymethyl)benzoic acid, COBALT (II) ION, Dihydrofolate reductase, ...
Authors:Ribeiro, J.A, Dias, M.V.B.
Deposit date:2020-02-11
Release date:2020-07-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.758 Å)
Cite:Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
8VWI
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BU of 8vwi by Molmil
The base complex of the AcMNPV baculovirus nucleocapsid (Class 1, localised reconstruction)
Descriptor: 38K (AC98) protein in P143-LEF5 intergenic region, Capsid-associated protein VP80, Major capsid protein, ...
Authors:Johnstone, B.A, Koszalka, P, Ha, J, Venugopal, H, Coulibaly, F.
Deposit date:2024-02-01
Release date:2024-11-06
Last modified:2024-11-27
Method:ELECTRON MICROSCOPY (4.71 Å)
Cite:The baculovirus structure defines the hallmarks of a new viral realm
To Be Published
5IM2
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BU of 5im2 by Molmil
Crystal structure of a TRAP solute binding protein from Rhodoferax ferrireducens T118 (Rfer_2570, TARGET EFI-510210) in complex with copurified benzoate
Descriptor: BENZOIC ACID, Twin-arginine translocation pathway signal
Authors:Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2016-03-05
Release date:2016-03-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of a TRAP solute binding protein from Rhodoferax ferrireducens T118 (Rfer_2570, TARGET EFI-510210) in complex with copurified benzoate
To be published
5VPC
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BU of 5vpc by Molmil
Transcription factor FosB/JunD bZIP domain in its oxidized form, type-II crystal
Descriptor: CHLORIDE ION, Protein fosB, SODIUM ION, ...
Authors:Yin, Z, Machius, M.C, Rudenko, G.
Deposit date:2017-05-04
Release date:2017-09-06
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.498 Å)
Cite:Activator Protein-1: redox switch controlling structure and DNA-binding.
Nucleic Acids Res., 45, 2017
5VPH
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BU of 5vph by Molmil
CRYSTAL STRUCTURE OF DER P 1 COMPLEXED WITH FAB 4C1
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Der p 1 allergen, ...
Authors:Chruszcz, M, Vailes, L.D, Chapman, M.D, Pomes, A, Minor, W.
Deposit date:2017-05-05
Release date:2017-05-24
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular Determinants For Antibody Binding On Group 1 House Dust Mite Allergens.
J.Biol.Chem., 287, 2012
8VPQ
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BU of 8vpq by Molmil
The structure of LSD1-CoREST-HDAC1 in complex with KBTBD4IPR310delinsTTYML
Descriptor: Histone deacetylase 1, INOSITOL HEXAKISPHOSPHATE, Isoform 2 of Kelch repeat and BTB domain-containing protein 4, ...
Authors:Xie, X, Liau, B, Zheng, N.
Deposit date:2024-01-16
Release date:2024-11-27
Last modified:2025-06-11
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Converging mechanism of UM171 and KBTBD4 neomorphic cancer mutations.
Nature, 639, 2025
5IC5
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BU of 5ic5 by Molmil
Bacteriophytochrome response regulator RtBRR
Descriptor: CACODYLATE ION, Candidate response regulator, CheY, ...
Authors:Baker, A.W, Satyshur, K.A, Forest, K.T.
Deposit date:2016-02-22
Release date:2016-03-02
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Arm-in-Arm Response Regulator Dimers Promote Intermolecular Signal Transduction.
J.Bacteriol., 198, 2016
6VSO
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BU of 6vso by Molmil
DengueV-2 Capsid Structure
Descriptor: Capsid premembrane protein, GLYCEROL, NITRATE ION
Authors:White, M, Xia, H, Shi, P.
Deposit date:2020-02-11
Release date:2020-07-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.001 Å)
Cite:A cocrystal structure of dengue capsid protein in complex of inhibitor.
Proc.Natl.Acad.Sci.USA, 117, 2020
8VJG
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BU of 8vjg by Molmil
Human R14A Pin1 covalently bound to inhibitor 164A10
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Nalpha-{(2S)-1-[(3S)-2-acetyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbonyl]piperidine-2-carbonyl}-5-fluoro-L-tryptophanamide, ...
Authors:Rodriguez, I, Blaha, G.
Deposit date:2024-01-06
Release date:2024-11-06
Last modified:2025-03-05
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Targeted degradation of Pin1 by protein-destabilizing compounds.
Proc.Natl.Acad.Sci.USA, 121, 2024
5VMK
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BU of 5vmk by Molmil
Crystal structure of a bifunctional GlmU UDP-N-acetylglucosamine diphosphorylase/glucosamine-1- phosphate N-acetyltransferase from Acinetobacter baumannii
Descriptor: Bifunctional protein GlmU, CITRIC ACID, PHOSPHATE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2017-04-27
Release date:2017-05-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structure of a bifunctional GlmU UDP-N-acetylglucosamine diphosphorylase/glucosamine-1- phosphate N-acetyltransferase from Acinetobacter baumannii
To Be Published
6VUD
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BU of 6vud by Molmil
Crystal structure of a ribosome recycling factor from Ehrlichia chaffeensis
Descriptor: CHLORIDE ION, Ribosome-recycling factor
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-02-15
Release date:2020-03-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of a ribosome recycling factor from Ehrlichia chaffeensis
to be published
8VGA
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BU of 8vga by Molmil
Crystal Structure of Guanine Nucleotide-Binding Protein (G Protein) Alpha-1 Subunit from Selaginella moellendorffii in complex with GTP gamma S
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Guanine nucleotide-binding protein alpha subunit, MAGNESIUM ION
Authors:Lee, S.G, Jez, J.M.
Deposit date:2023-12-27
Release date:2024-11-06
Method:X-RAY DIFFRACTION (2.57602477 Å)
Cite:Structure-function analysis of plant G-protein regulatory mechanisms identifies key G alpha-RGS protein interactions.
J.Biol.Chem., 300, 2024
6VUY
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BU of 6vuy by Molmil
Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT358
Descriptor: (7S)-7-phenyl-2-{[3-(piperidin-1-yl)propyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Punetha, A, Hou, C, Ngo, H.X, Garneau-Tsodikova, S, Tsodikov, O.V.
Deposit date:2020-02-16
Release date:2020-06-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis.
Acs Chem.Biol., 15, 2020
7M11
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BU of 7m11 by Molmil
L-asparaginase from Escherichia coli with bound Aspartic acid
Descriptor: ASPARTIC ACID, L-asparaginase 2
Authors:Souza, T.A.C.B, Morais, S.B, Morini, F.S, Meissner, G.O.
Deposit date:2021-03-11
Release date:2022-03-16
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:L-asparaginase from Escherichia coli: Novel insights about the behavior of flexible part of the active site
To Be Published
8VRT
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BU of 8vrt by Molmil
The structure of LSD1-CoREST-HDAC1 in complex with KBTBD4R313PRR mutant
Descriptor: Histone deacetylase 1, INOSITOL HEXAKISPHOSPHATE, Kelch repeat and BTB domain-containing protein 4, ...
Authors:Xie, X, Liau, B, Zheng, N.
Deposit date:2024-01-22
Release date:2024-11-27
Last modified:2025-06-11
Method:ELECTRON MICROSCOPY (3.42 Å)
Cite:Converging mechanism of UM171 and KBTBD4 neomorphic cancer mutations.
Nature, 639, 2025
5VPY
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BU of 5vpy by Molmil
Crystal structure of human KRAS G12A mutant in complex with GppNHp
Descriptor: 2-amino-9-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-alpha-L-xylofuranosyl}-1,9-dihydro-6H-purin-6-one, GTPase KRas, MAGNESIUM ION, ...
Authors:Xu, S, Long, B, Boris, G, Ni, S, Kennedy, M.A.
Deposit date:2017-05-06
Release date:2017-12-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insight into the rearrangement of the switch I region in GTP-bound G12A K-Ras.
Acta Crystallogr D Struct Biol, 73, 2017
5VQ2
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BU of 5vq2 by Molmil
Crystal structure of human WT-KRAS in complex with GTP
Descriptor: GTPase KRas, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION
Authors:Xu, S, Long, B, Boris, G, Ni, S, Kennedy, M.A.
Deposit date:2017-05-07
Release date:2017-12-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structural insight into the rearrangement of the switch I region in GTP-bound G12A K-Ras.
Acta Crystallogr D Struct Biol, 73, 2017
8VWK
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BU of 8vwk by Molmil
Crystal Structure of a fatty acid decarboxylase from Kocuria marina in complex with myristic acid
Descriptor: Cytochrome P450, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Generoso, W.C, Miyamoto, R.Y, Murakami, M.T, Zanphorlin, L.M.
Deposit date:2024-02-01
Release date:2024-12-04
Last modified:2025-04-02
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Coordinated conformational changes in P450 decarboxylases enable hydrocarbons production from renewable feedstocks.
Nat Commun, 16, 2025

243531

数据于2025-10-22公开中

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