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PDB: 88675 件

4YJN
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Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1639
分子名称: 5-amino-1-tert-butyl-3-[2-(cyclobutyloxy)quinolin-6-yl]-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
著者Merritt, E.A.
登録日2015-03-03
公開日2015-11-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献SAR Studies of 5-Aminopyrazole-4-carboxamide Analogues as Potent and Selective Inhibitors of Toxoplasma gondii CDPK1.
Acs Med.Chem.Lett., 6, 2015
8FEJ
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Langya Virus Fusion Protein (LayV-F) in Pre-Fusion Conformation
分子名称: Fusion Protein
著者May, A.J, Pothula, K.R, Janowska, K, Acharya, P.
登録日2022-12-06
公開日2023-04-19
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (4.64 Å)
主引用文献Structures of Langya Virus Fusion Protein Ectodomain in Pre- and Postfusion Conformation.
J.Virol., 97, 2023
8DLL
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Cryo-EM structure of SARS-CoV-2 Beta (B.1.351) spike protein
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Subramaniam, S.
登録日2022-07-08
公開日2022-08-31
実験手法ELECTRON MICROSCOPY (2.56 Å)
主引用文献SARS-CoV-2 variants of concern: spike protein mutational analysis and epitope for broad neutralization.
Nat Commun, 13, 2022
6NB1
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Crystal structure of Escherichia coli ClpP protease complexed with small molecule activator, ACP1-06
分子名称: ATP-dependent Clp protease proteolytic subunit, GLYCEROL, N-{2-[(2-chlorophenyl)sulfanyl]ethyl}-2-methyl-2-{[5-(trifluoromethyl)pyridin-2-yl]sulfonyl}propanamide
著者Mabanglo, M.F, Houry, W.A, Eger, B.T, Bryson, S, Pai, E.F.
登録日2018-12-06
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献ClpP protease activation results from the reorganization of the electrostatic interaction networks at the entrance pores.
Commun Biol, 2, 2019
5MEZ
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Crystal structure of Smad4-MH1 bound to the GGCT site.
分子名称: CHLORIDE ION, DNA (5'-D(P*GP*CP*AP*GP*GP*CP*TP*AP*GP*CP*CP*TP*GP*CP*A)-3'), MH1 domain of human Smad4, ...
著者Kaczmarska, Z, Freier, R, Marquez, J.A, Macias, M.J.
登録日2016-11-16
公開日2017-11-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献Structural basis for genome wide recognition of 5-bp GC motifs by SMAD transcription factors.
Nat Commun, 8, 2017
8DM0
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Cryo-EM structure of SARS-CoV-2 D614G spike protein in complex with VH ab6 (focused refinement of NTD and VH ab6)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, VH ab6
著者Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Subramaniam, S.
登録日2022-07-08
公開日2022-08-31
実験手法ELECTRON MICROSCOPY (3.21 Å)
主引用文献SARS-CoV-2 variants of concern: spike protein mutational analysis and epitope for broad neutralization.
Nat Commun, 13, 2022
8D0M
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Human CD38 ectodomain bound to a 78c-ADPR adduct
分子名称: ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[5-[4-[[4-(2-methoxyethoxy)cyclohexyl]amino]-1-methyl-2-oxidanylidene-quinolin-6-yl]-1,3-thiazol-3-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
著者Bratkowski, M.A, Gu, W.
登録日2022-05-26
公開日2022-09-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Uncompetitive, adduct-forming SARM1 inhibitors are neuroprotective in preclinical models of nerve injury and disease.
Neuron, 110, 2022
6VPA
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Scabin (N110A) toxin from Streptomyces scabies
分子名称: Scabin
著者Lyons, B, Lidster, T, Merrill, A.R.
登録日2020-02-02
公開日2021-01-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Mapping the DNA-Binding Motif of Scabin Toxin, a Guanine Modifying Enzyme from Streptomyces scabies .
Toxins, 13, 2021
5JFM
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Crystal structure of Rhodopseudomonas palustris propionaldehyde dehydrogenase with bound propionyl-CoA
分子名称: Aldehyde dehydrogenase, COENZYME A, propionyl Coenzyme A
著者Zarzycki, J, Sutter, M, Kerfeld, C.A.
登録日2016-04-19
公開日2017-03-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.516 Å)
主引用文献In Vitro Characterization and Concerted Function of Three Core Enzymes of a Glycyl Radical Enzyme - Associated Bacterial Microcompartment.
Sci Rep, 7, 2017
8FEL
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Langya Virus Fusion Protein (LayV-F) in Post-Fusion Conformation
分子名称: Fusion Protein
著者May, A.J, Pothula, K.R, Janowska, K, Acharya, P.
登録日2022-12-06
公開日2023-04-19
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (4.64 Å)
主引用文献Structures of Langya Virus Fusion Protein Ectodomain in Pre- and Postfusion Conformation.
J.Virol., 97, 2023
4WQ1
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Complex of 70S ribosome with tRNA-Tyr and mRNA with C-A mismatch in the first position in the A-site.
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Rozov, A, Demeshkina, N, Yusupov, M, Yusupova, G.
登録日2014-10-21
公開日2015-06-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural insights into the translational infidelity mechanism.
Nat Commun, 6, 2015
4WTU
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Crystal structure of BACE1 in complex with 2-aminooxazoline 3-aza-4-fluoro-xanthene inhibitor 22
分子名称: (5S)-3-(5,6-dihydro-2H-pyran-3-yl)-1-fluoro-7-(2-fluoropyridin-3-yl)spiro[chromeno[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine, Beta-secretase 1, GLYCEROL, ...
著者Whittington, D.A, Long, A.M.
登録日2014-10-30
公開日2015-03-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献An Orally Available BACE1 Inhibitor That Affords Robust CNS A beta Reduction without Cardiovascular Liabilities.
Acs Med.Chem.Lett., 6, 2015
4WRA
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Complex of 70S ribosome with tRNA-Tyr and mRNA with A-A mismatch in the first position in the A-site and with antibiotic paromomycin.
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Rozov, A, Demeshkina, N, Yusupov, M, Yusupova, G.
登録日2014-10-23
公開日2015-06-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Structural insights into the translational infidelity mechanism.
Nat Commun, 6, 2015
6VJA
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BU of 6vja by Molmil
Structure of CD20 in complex with rituximab Fab
分子名称: B-lymphocyte antigen CD20, CHOLESTEROL HEMISUCCINATE, Rituximab Fab heavy chain, ...
著者Rohou, A, Croll, T.I.
登録日2020-01-15
公開日2020-02-26
最終更新日2020-03-25
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structure of CD20 in complex with the therapeutic monoclonal antibody rituximab.
Science, 367, 2020
6NAH
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BU of 6nah by Molmil
Crystal structure of Neisseria meningitidis ClpP protease in complex with Acyldepsipeptide-14 (ADEP-14)
分子名称: ATP-dependent Clp protease proteolytic subunit, Acyldepsipeptide-14, OCTANOIC ACID (CAPRYLIC ACID)
著者Mabanglo, M.F, Houry, W.A.
登録日2018-12-05
公開日2019-11-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献ClpP protease activation results from the reorganization of the electrostatic interaction networks at the entrance pores.
Commun Biol, 2, 2019
8DLI
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BU of 8dli by Molmil
Cryo-EM structure of SARS-CoV-2 Alpha (B.1.1.7) spike protein
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Subramaniam, S.
登録日2022-07-08
公開日2022-08-31
実験手法ELECTRON MICROSCOPY (2.56 Å)
主引用文献SARS-CoV-2 variants of concern: spike protein mutational analysis and epitope for broad neutralization.
Nat Commun, 13, 2022
6G94
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Structure of E. coli hydrogenase-1 C19G variant in complex with cytochrome b
分子名称: CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE3-S4 CLUSTER, ...
著者Volbeda, A, Fontecilla-Camps, J.C.
登録日2018-04-10
公開日2018-06-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献X-ray structural, functional and computational studies of the O2-sensitive E. coli hydrogenase-1 C19G variant reveal an unusual [4Fe-4S] cluster.
Chem. Commun. (Camb.), 54, 2018
8D0I
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Human SARM1 bound to an NB-3 eADPR adduct
分子名称: NAD(+) hydrolase SARM1, [[(2~{R},3~{S},4~{R},5~{R})-5-imidazo[2,1-f]purin-3-yl-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[4-[(1~{S})-1-[methyl-[2,2,2-tris(fluoranyl)ethylcarbamoyl]amino]ethyl]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
著者Bratkowski, M.A, Mathur, P.
登録日2022-05-26
公開日2022-09-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Uncompetitive, adduct-forming SARM1 inhibitors are neuroprotective in preclinical models of nerve injury and disease.
Neuron, 110, 2022
5JLZ
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Crystal structure of HLA-DRB1*04:01 in complex with modified alpha-enolase peptide 26-40 with citrulline at the position 32
分子名称: Alpha-enolase, HLA class II histocompatibility antigen, DR alpha chain, ...
著者Dubnovitsky, A, Kozhukh, G, Sandalova, T, Achour, A.
登録日2016-04-28
公開日2016-12-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Functional and Structural Characterization of a Novel HLA-DRB1*04:01-Restricted alpha-Enolase T Cell Epitope in Rheumatoid Arthritis.
Front Immunol, 7, 2016
7NER
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Crystal structure of the v-Src SH3 domain Q128R mutant
分子名称: SULFATE ION, TETRAETHYLENE GLYCOL, v-Src SH3 domain
著者Camara-Artigas, A, Salinas-Garcia, M.C.
登録日2021-02-04
公開日2021-06-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献The impact of oncogenic mutations of the viral Src kinase on the structure and stability of the SH3 domain.
Acta Crystallogr D Struct Biol, 77, 2021
6NUS
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SARS-Coronavirus NSP12 bound to NSP8 co-factor
分子名称: NSP12, NSP8, ZINC ION
著者Kirchdoerfer, R.N, Ward, A.B.
登録日2019-02-01
公開日2019-05-29
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structure of the SARS-CoV nsp12 polymerase bound to nsp7 and nsp8 co-factors.
Nat Commun, 10, 2019
6GBS
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Crystal Structure of the C. themophilum Scavenger Decapping Enzyme DcpS apo form
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Putative mRNA decapping protein
著者Fuchs, A.-L, Neu, A, Sprangers, R.
登録日2018-04-16
公開日2019-04-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.946 Å)
主引用文献Molecular basis of the selective processing of short mRNA substrates by the DcpS mRNA decapping enzyme.
Proc.Natl.Acad.Sci.USA, 117, 2020
8DLQ
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Cryo-EM structure of SARS-CoV-2 Gamma (P.1) spike protein in complex with human ACE2 (focused refinement of RBD and ACE2)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein
著者Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Subramaniam, S.
登録日2022-07-08
公開日2022-08-31
実験手法ELECTRON MICROSCOPY (2.77 Å)
主引用文献SARS-CoV-2 variants of concern: spike protein mutational analysis and epitope for broad neutralization.
Nat Commun, 13, 2022
6VOP
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Crystal structure of YgbL, a putative aldolase/epimerase/decarboxylase from Escherichia coli
分子名称: Aldolase
著者Stogios, P.J, Evdokimova, E, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-01-31
公開日2020-02-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Crystal structure of YgbL, a putative aldolase/epimerase/decarboxylase from Escherichia coli
To Be Published
8DLZ
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Cryo-EM structure of SARS-CoV-2 D614G spike protein in complex with VH ab6
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
著者Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Subramaniam, S.
登録日2022-07-08
公開日2022-08-31
実験手法ELECTRON MICROSCOPY (2.57 Å)
主引用文献SARS-CoV-2 variants of concern: spike protein mutational analysis and epitope for broad neutralization.
Nat Commun, 13, 2022

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件を2024-07-31に公開中

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