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9C10
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BU of 9c10 by Molmil
AMG 193, a clinical stage MTA-cooperative PRMT5 inhibitor, drives anti-tumor activity preclinically and in patients with MTAP-deleted cancers
Descriptor: (4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl){(3S)-3-[4-(trifluoromethyl)phenyl]morpholin-4-yl}methanone, 5'-DEOXY-5'-METHYLTHIOADENOSINE, DIMETHYL SULFOXIDE, ...
Authors:Ghimire-Rijal, S, Mukund, S.
Deposit date:2024-05-28
Release date:2024-10-02
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:AMG 193, a Clinical Stage MTA-Cooperative PRMT5 Inhibitor, Drives Antitumor Activity Preclinically and in Patients With MTAP-Deleted Cancers.
Cancer Discov, 2024
3DKS
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BU of 3dks by Molmil
DsbA substrate complex
Descriptor: Thiol:disulfide interchange protein dsbA, siga peptide
Authors:Paxman, J.J, Borg, N.A, Horne, J, Rossjohn, J, Thompson, P.E, Piek, S, Kahler, C.M, Sakellaris, H, Scanlon, M.J.
Deposit date:2008-06-25
Release date:2009-05-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The structure of the bacterial oxidoreductase enzyme DsbA in complex with a peptide reveals a basis for substrate specificity in the catalytic cycle of DsbA enzymes
J.Biol.Chem., 284, 2009
8VKR
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BU of 8vkr by Molmil
CW Flagellar Switch Complex with extra density - FliF, FliG, FliM, and FliN forming the C-ring from Salmonella
Descriptor: Flagellar M-ring protein, Flagellar motor switch protein FliG, Flagellar motor switch protein FliM, ...
Authors:Singh, P.K, Iverson, T.M.
Deposit date:2024-01-09
Release date:2024-02-28
Last modified:2024-08-21
Method:ELECTRON MICROSCOPY (5.9 Å)
Cite:CryoEM structures reveal how the bacterial flagellum rotates and switches direction.
Nat Microbiol, 9, 2024
8VID
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BU of 8vid by Molmil
CW Flagellar Switch Complex with extra density - FliF, FliG, FliM, and FliN forming single subunit of the C-ring from Salmonella
Descriptor: Flagellar M-ring protein, Flagellar motor switch protein FliG, Flagellar motor switch protein FliM, ...
Authors:Singh, P.K, Iverson, T.M.
Deposit date:2024-01-03
Release date:2024-02-28
Last modified:2024-08-21
Method:ELECTRON MICROSCOPY (5.9 Å)
Cite:CryoEM structures reveal how the bacterial flagellum rotates and switches direction.
Nat Microbiol, 9, 2024
8VIB
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BU of 8vib by Molmil
CW Flagellar Switch Complex - FliF, FliG, FliM, and FliN forming single subunit of the C-ring from Salmonella
Descriptor: Flagellar M-ring protein, Flagellar motor switch protein FliG, Flagellar motor switch protein FliM, ...
Authors:Singh, P.K, Iverson, T.M.
Deposit date:2024-01-03
Release date:2024-02-28
Last modified:2024-08-21
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:CryoEM structures reveal how the bacterial flagellum rotates and switches direction.
Nat Microbiol, 9, 2024
8VKQ
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BU of 8vkq by Molmil
CW Flagellar Switch Complex - FliF, FliG, FliM, and FliN forming the C-ring from Salmonella
Descriptor: Flagellar M-ring protein, Flagellar motor switch protein FliG, Flagellar motor switch protein FliM, ...
Authors:Singh, P.K, Iverson, T.M.
Deposit date:2024-01-09
Release date:2024-02-28
Last modified:2024-08-21
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:CryoEM structures reveal how the bacterial flagellum rotates and switches direction.
Nat Microbiol, 9, 2024
4DVC
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BU of 4dvc by Molmil
Structural and functional studies of TcpG, the Vibrio cholerae DsbA disulfide-forming protein required for pilus and cholera toxin production
Descriptor: DIMETHYL SULFOXIDE, SULFATE ION, Thiol:disulfide interchange protein DsbA
Authors:Walden, P.M, Martin, J.L.
Deposit date:2012-02-23
Release date:2012-10-31
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:The 1.2 A resolution crystal structure of TcpG, the Vibrio cholerae DsbA disulfide-forming protein required for pilus and cholera-toxin production
Acta Crystallogr.,Sect.D, 68, 2012
8SWH
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BU of 8swh by Molmil
Local refinement of SARS-CoV-2 (HP-GSAS-Mut7) spike NTD in complex with TXG-0078 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TXG-0078 Fab Heavy chain, ...
Authors:Bangaru, B, Ward, A.
Deposit date:2023-05-18
Release date:2024-05-22
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.88 Å)
Cite:Deep repertoire mining uncovers ultra-broad coronavirus neutralizing antibodies targeting multiple spike epitopes.
Cell Rep, 43, 2024
6SS4
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BU of 6ss4 by Molmil
Structure of arginase-2 in complex with the inhibitory human antigen-binding fragment Fab C0021181
Descriptor: Arginase-2, mitochondrial, Fab C0021181 heavy chain (IgG1), ...
Authors:Burschowsky, D, Addyman, A, Fiedler, S, Groves, M, Haynes, S, Seewooruthun, C, Carr, M.
Deposit date:2019-09-06
Release date:2020-06-10
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural and functional characterization of C0021158, a high-affinity monoclonal antibody that inhibits Arginase 2 function via a novel non-competitive mechanism of action.
Mabs, 12
6SS2
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BU of 6ss2 by Molmil
Structure of arginase-2 in complex with the inhibitory human antigen-binding fragment Fab C0021158
Descriptor: Arginase-2, mitochondrial, Fab C0021158 heavy chain (IgG1), ...
Authors:Burschowsky, D, Addyman, A, Fiedler, S, Groves, M, Haynes, S, Seewooruthun, C, Carr, M.
Deposit date:2019-09-06
Release date:2020-06-10
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and functional characterization of C0021158, a high-affinity monoclonal antibody that inhibits Arginase 2 function via a novel non-competitive mechanism of action.
Mabs, 12
6SS0
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BU of 6ss0 by Molmil
Structure of the arginase-2-inhibitory human antigen-binding fragment Fab C0021181
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Fab C0021181 heavy chain (IgG1), ...
Authors:Burschowsky, D, Addyman, A, Fiedler, S, Groves, M, Haynes, S, Seewooruthun, C, Carr, M.
Deposit date:2019-09-06
Release date:2020-06-10
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and functional characterization of C0021158, a high-affinity monoclonal antibody that inhibits Arginase 2 function via a novel non-competitive mechanism of action.
Mabs, 12
6SRV
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BU of 6srv by Molmil
Structure of the arginase-2-inhibitory human antigen-binding fragment Fab C0021144
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Burschowsky, D, Addyman, A, Fiedler, S, Groves, M, Haynes, S, Seewooruthun, C, Carr, M.
Deposit date:2019-09-06
Release date:2020-06-10
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and functional characterization of C0021158, a high-affinity monoclonal antibody that inhibits Arginase 2 function via a novel non-competitive mechanism of action.
Mabs, 12
6TUL
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BU of 6tul by Molmil
Structure of the arginase-2-inhibitory human antigen-binding fragment Fab C0021177
Descriptor: D-MALATE, Fab C0021177 heavy chain (IgG1), Fab C0021177 light chain (IgG1), ...
Authors:Burschowsky, D, Addyman, A, Fiedler, S, Groves, M, Haynes, S, Seewooruthun, C, Carr, M.
Deposit date:2020-01-07
Release date:2020-06-10
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural and functional characterization of C0021158, a high-affinity monoclonal antibody that inhibits Arginase 2 function via a novel non-competitive mechanism of action.
Mabs, 12
6SRX
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BU of 6srx by Molmil
Structure of the arginase-2-inhibitory human antigen-binding fragment Fab C0021158
Descriptor: ACETATE ION, CHLORIDE ION, Fab C0021158 heavy chain (IgG1), ...
Authors:Burschowsky, D, Addyman, A, Fiedler, S, Groves, M, Haynes, S, Seewooruthun, C, Carr, M.
Deposit date:2019-09-06
Release date:2020-06-10
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and functional characterization of C0021158, a high-affinity monoclonal antibody that inhibits Arginase 2 function via a novel non-competitive mechanism of action.
Mabs, 12
7S1C
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BU of 7s1c by Molmil
Crystal structure of E.coli DsbA in complex with compound MIPS-0001897 (compound 1)
Descriptor: COPPER (II) ION, Thiol:disulfide interchange protein DsbA, ~{N}-methyl-1-(3-thiophen-3-ylphenyl)methanamine
Authors:Heras, B, Scanlon, M.J, Martin, J.L, Sharma, P.
Deposit date:2021-09-02
Release date:2023-02-08
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.949 Å)
Cite:Fluoromethylketone-fragment conjugates designed as covalent modifiers of EcDsbA are atypical substrates
Chemrxiv, 2022
4MWI
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BU of 4mwi by Molmil
Crystal structure of the human MLKL pseudokinase domain
Descriptor: (2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2R)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol, GLYCEROL, Mixed lineage kinase domain-like protein
Authors:Czabotar, P.E, Murphy, J.M.
Deposit date:2013-09-25
Release date:2013-12-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Insights into the evolution of divergent nucleotide-binding mechanisms among pseudokinases revealed by crystal structures of human and mouse MLKL.
Biochem.J., 457, 2014
5OBR
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BU of 5obr by Molmil
Aurora A kinase in complex with 2-(3-chloro-5-fluorophenyl)quinoline-4-carboxylic acid and JNJ-7706621
Descriptor: 2-(3-chloranyl-5-fluoranyl-phenyl)quinoline-4-carboxylic acid, 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, Aurora kinase A, ...
Authors:Rossmann, M, Janecek, M, Hyvonen, M.
Deposit date:2017-06-29
Release date:2017-08-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Computationally-guided optimization of small-molecule inhibitors of the Aurora A kinase-TPX2 protein-protein interaction.
Chem. Commun. (Camb.), 53, 2017
5OBJ
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BU of 5obj by Molmil
Aurora A kinase in complex with 2-(3-fluorophenyl)quinoline-4-carboxylic acid and ATP
Descriptor: 2-(3-fluorophenyl)quinoline-4-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, ...
Authors:Rossmann, M, Janecek, M, Hyvonen, M.
Deposit date:2017-06-28
Release date:2017-08-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.901 Å)
Cite:Computationally-guided optimization of small-molecule inhibitors of the Aurora A kinase-TPX2 protein-protein interaction.
Chem. Commun. (Camb.), 53, 2017

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PDB entries from 2024-11-20

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