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PDB: 88675 results

4YJN
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Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1639
Descriptor: 5-amino-1-tert-butyl-3-[2-(cyclobutyloxy)quinolin-6-yl]-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A.
Deposit date:2015-03-03
Release date:2015-11-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: Fusion Protein
Authors:May, A.J, Pothula, K.R, Janowska, K, Acharya, P.
Deposit date:2022-12-06
Release date:2023-04-19
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (4.64 Å)
Cite:Structures of Langya Virus Fusion Protein Ectodomain in Pre- and Postfusion Conformation.
J.Virol., 97, 2023
8DLL
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BU of 8dll by Molmil
Cryo-EM structure of SARS-CoV-2 Beta (B.1.351) spike protein
Descriptor: 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
Authors:Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Subramaniam, S.
Deposit date:2022-07-08
Release date:2022-08-31
Method:ELECTRON MICROSCOPY (2.56 Å)
Cite: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
Descriptor: ATP-dependent Clp protease proteolytic subunit, GLYCEROL, N-{2-[(2-chlorophenyl)sulfanyl]ethyl}-2-methyl-2-{[5-(trifluoromethyl)pyridin-2-yl]sulfonyl}propanamide
Authors:Mabanglo, M.F, Houry, W.A, Eger, B.T, Bryson, S, Pai, E.F.
Deposit date:2018-12-06
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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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BU of 5mez by Molmil
Crystal structure of Smad4-MH1 bound to the GGCT site.
Descriptor: 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, ...
Authors:Kaczmarska, Z, Freier, R, Marquez, J.A, Macias, M.J.
Deposit date:2016-11-16
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Structural basis for genome wide recognition of 5-bp GC motifs by SMAD transcription factors.
Nat Commun, 8, 2017
8DM0
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BU of 8dm0 by Molmil
Cryo-EM structure of SARS-CoV-2 D614G spike protein in complex with VH ab6 (focused refinement of NTD and VH ab6)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, VH ab6
Authors:Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Subramaniam, S.
Deposit date:2022-07-08
Release date:2022-08-31
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:SARS-CoV-2 variants of concern: spike protein mutational analysis and epitope for broad neutralization.
Nat Commun, 13, 2022
8D0M
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BU of 8d0m by Molmil
Human CD38 ectodomain bound to a 78c-ADPR adduct
Descriptor: 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
Authors:Bratkowski, M.A, Gu, W.
Deposit date:2022-05-26
Release date:2022-09-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Uncompetitive, adduct-forming SARM1 inhibitors are neuroprotective in preclinical models of nerve injury and disease.
Neuron, 110, 2022
6VPA
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BU of 6vpa by Molmil
Scabin (N110A) toxin from Streptomyces scabies
Descriptor: Scabin
Authors:Lyons, B, Lidster, T, Merrill, A.R.
Deposit date:2020-02-02
Release date:2021-01-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mapping the DNA-Binding Motif of Scabin Toxin, a Guanine Modifying Enzyme from Streptomyces scabies .
Toxins, 13, 2021
5JFM
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BU of 5jfm by Molmil
Crystal structure of Rhodopseudomonas palustris propionaldehyde dehydrogenase with bound propionyl-CoA
Descriptor: Aldehyde dehydrogenase, COENZYME A, propionyl Coenzyme A
Authors:Zarzycki, J, Sutter, M, Kerfeld, C.A.
Deposit date:2016-04-19
Release date:2017-03-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.516 Å)
Cite: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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BU of 8fel by Molmil
Langya Virus Fusion Protein (LayV-F) in Post-Fusion Conformation
Descriptor: Fusion Protein
Authors:May, A.J, Pothula, K.R, Janowska, K, Acharya, P.
Deposit date:2022-12-06
Release date:2023-04-19
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (4.64 Å)
Cite: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.
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Rozov, A, Demeshkina, N, Yusupov, M, Yusupova, G.
Deposit date:2014-10-21
Release date:2015-06-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural insights into the translational infidelity mechanism.
Nat Commun, 6, 2015
4WTU
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BU of 4wtu by Molmil
Crystal structure of BACE1 in complex with 2-aminooxazoline 3-aza-4-fluoro-xanthene inhibitor 22
Descriptor: (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, ...
Authors:Whittington, D.A, Long, A.M.
Deposit date:2014-10-30
Release date:2015-03-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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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BU of 4wra by Molmil
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.
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Rozov, A, Demeshkina, N, Yusupov, M, Yusupova, G.
Deposit date:2014-10-23
Release date:2015-06-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.05 Å)
Cite: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
Descriptor: B-lymphocyte antigen CD20, CHOLESTEROL HEMISUCCINATE, Rituximab Fab heavy chain, ...
Authors:Rohou, A, Croll, T.I.
Deposit date:2020-01-15
Release date:2020-02-26
Last modified:2020-03-25
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite: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)
Descriptor: ATP-dependent Clp protease proteolytic subunit, Acyldepsipeptide-14, OCTANOIC ACID (CAPRYLIC ACID)
Authors:Mabanglo, M.F, Houry, W.A.
Deposit date:2018-12-05
Release date:2019-11-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: 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
Authors:Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Subramaniam, S.
Deposit date:2022-07-08
Release date:2022-08-31
Method:ELECTRON MICROSCOPY (2.56 Å)
Cite:SARS-CoV-2 variants of concern: spike protein mutational analysis and epitope for broad neutralization.
Nat Commun, 13, 2022
6G94
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BU of 6g94 by Molmil
Structure of E. coli hydrogenase-1 C19G variant in complex with cytochrome b
Descriptor: CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE3-S4 CLUSTER, ...
Authors:Volbeda, A, Fontecilla-Camps, J.C.
Deposit date:2018-04-10
Release date:2018-06-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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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BU of 8d0i by Molmil
Human SARM1 bound to an NB-3 eADPR adduct
Descriptor: 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
Authors:Bratkowski, M.A, Mathur, P.
Deposit date:2022-05-26
Release date:2022-09-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Uncompetitive, adduct-forming SARM1 inhibitors are neuroprotective in preclinical models of nerve injury and disease.
Neuron, 110, 2022
5JLZ
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BU of 5jlz by Molmil
Crystal structure of HLA-DRB1*04:01 in complex with modified alpha-enolase peptide 26-40 with citrulline at the position 32
Descriptor: Alpha-enolase, HLA class II histocompatibility antigen, DR alpha chain, ...
Authors:Dubnovitsky, A, Kozhukh, G, Sandalova, T, Achour, A.
Deposit date:2016-04-28
Release date:2016-12-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.99 Å)
Cite: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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BU of 7ner by Molmil
Crystal structure of the v-Src SH3 domain Q128R mutant
Descriptor: SULFATE ION, TETRAETHYLENE GLYCOL, v-Src SH3 domain
Authors:Camara-Artigas, A, Salinas-Garcia, M.C.
Deposit date:2021-02-04
Release date:2021-06-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.55 Å)
Cite: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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BU of 6nus by Molmil
SARS-Coronavirus NSP12 bound to NSP8 co-factor
Descriptor: NSP12, NSP8, ZINC ION
Authors:Kirchdoerfer, R.N, Ward, A.B.
Deposit date:2019-02-01
Release date:2019-05-29
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure of the SARS-CoV nsp12 polymerase bound to nsp7 and nsp8 co-factors.
Nat Commun, 10, 2019
6GBS
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BU of 6gbs by Molmil
Crystal Structure of the C. themophilum Scavenger Decapping Enzyme DcpS apo form
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Putative mRNA decapping protein
Authors:Fuchs, A.-L, Neu, A, Sprangers, R.
Deposit date:2018-04-16
Release date:2019-04-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.946 Å)
Cite: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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BU of 8dlq by Molmil
Cryo-EM structure of SARS-CoV-2 Gamma (P.1) spike protein in complex with human ACE2 (focused refinement of RBD and ACE2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein
Authors:Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Subramaniam, S.
Deposit date:2022-07-08
Release date:2022-08-31
Method:ELECTRON MICROSCOPY (2.77 Å)
Cite:SARS-CoV-2 variants of concern: spike protein mutational analysis and epitope for broad neutralization.
Nat Commun, 13, 2022
6VOP
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BU of 6vop by Molmil
Crystal structure of YgbL, a putative aldolase/epimerase/decarboxylase from Escherichia coli
Descriptor: Aldolase
Authors:Stogios, P.J, Evdokimova, E, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-01-31
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal structure of YgbL, a putative aldolase/epimerase/decarboxylase from Escherichia coli
To Be Published
8DLZ
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BU of 8dlz by Molmil
Cryo-EM structure of SARS-CoV-2 D614G spike protein in complex with VH ab6
Descriptor: 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, ...
Authors:Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Subramaniam, S.
Deposit date:2022-07-08
Release date:2022-08-31
Method:ELECTRON MICROSCOPY (2.57 Å)
Cite:SARS-CoV-2 variants of concern: spike protein mutational analysis and epitope for broad neutralization.
Nat Commun, 13, 2022

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