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PDB: 51630 results

6YQ1
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BU of 6yq1 by Molmil
FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH N-Methyl-N-(3-{[2-(2-oxo-1,2,3,4-tetrahydro-quinolin-6-ylamino)-5-trifluoromethyl-pyrimidin-4-ylamino]-methyl}-pyridin-2-yl)-methanesulfonamide
Descriptor: Focal adhesion kinase 1, SODIUM ION, SULFATE ION, ...
Authors:Musil, D, Heinrich, T, Amaral, M.
Deposit date:2020-04-16
Release date:2021-02-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.784 Å)
Cite:Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2.
Cell Chem Biol, 28, 2021
6YR9
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BU of 6yr9 by Molmil
FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH N-Methyl-N-(2-{[2-(2-oxo-2,3-dihydro-1H-indol-5-ylamino)-5-trifluoromethyl-pyrimidin-4-ylamino]-methyl}-phenyl)-methanesulfonamide
Descriptor: Focal adhesion kinase 1, N-Methyl-N-(2-{[2-(2-oxo-2,3-dihydro-1H-indol-5-ylamino)-5-trifluoromethyl-pyrimidin-4-ylamino]-methyl}-phenyl)-methanesulfonamide
Authors:Musil, D, Amaral, M.
Deposit date:2020-04-19
Release date:2021-02-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.925 Å)
Cite:Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2.
Cell Chem Biol, 28, 2021
7NTO
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BU of 7nto by Molmil
The structure of RRM domain of human TRMT2A at 1.23 A resolution
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, SODIUM ION, ...
Authors:Witzenberger, M, Janowski, R, Davydova, E, Niessing, D.
Deposit date:2021-03-10
Release date:2022-01-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Small-molecule modulators of TRMT2A decrease PolyQ aggregation and PolyQ-induced cell death.
Comput Struct Biotechnol J, 20, 2022
6MKY
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BU of 6mky by Molmil
Human SDS22
Descriptor: Protein phosphatase 1 regulatory subunit 7, SULFATE ION
Authors:Choy, M.S, Bolik-Coulon, N, Page, R, Peti, W.
Deposit date:2018-09-26
Release date:2018-12-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The structure of SDS22 provides insights into the mechanism of heterodimer formation with PP1.
Acta Crystallogr F Struct Biol Commun, 74, 2018
5KUI
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BU of 5kui by Molmil
Human mitochondrial calcium uniporter (residues 72-189) crystal structure with calcium.
Descriptor: Calcium uniporter protein, mitochondrial
Authors:Mok, M.C.Y, Lee, S.K, Junop, M.S, Stathopulos, P.B.
Deposit date:2016-07-13
Release date:2016-09-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:Structural Insights into Mitochondrial Calcium Uniporter Regulation by Divalent Cations.
Cell Chem Biol, 23, 2016
5CP2
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BU of 5cp2 by Molmil
Human DNA polymerase lambda L431A mutant- Apoenzyme and complex with 6 paired DNA
Descriptor: DNA (5'-D(*CP*AP*GP*TP*AP*C)-3'), DNA (5'-D(P*GP*TP*AP*CP*TP*G)-3'), DNA polymerase lambda, ...
Authors:Liu, M.S, Tsai, M.D.
Deposit date:2015-07-21
Release date:2016-02-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Structural Mechanism for the Fidelity Modulation of DNA Polymerase lambda
J.Am.Chem.Soc., 138, 2016
6YEK
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BU of 6yek by Molmil
Crystal structure of human NEMO apo form
Descriptor: Inhibitor of kappa light polypeptide gene enhancer in B-cells, kinase gamma, isoform CRA_b
Authors:Garcia-Pardo, J, Akutsu, M, Busse, P, Skenderovic, A, Maculins, T, Dikic, I.
Deposit date:2020-03-25
Release date:2021-03-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Discovery of Protein-Protein Interaction Inhibitors by Integrating Protein Engineering and Chemical Screening Platforms.
Cell Chem Biol, 27, 2020
6YJI
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BU of 6yji by Molmil
Structure of FgCelDH7C
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Haddad Momeni, M, Fredslund, F, Berrin, J.G, Abou Hachem, M, Welner, D.H.
Deposit date:2020-04-03
Release date:2021-03-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Discovery of fungal oligosaccharide-oxidising flavo-enzymes with previously unknown substrates, redox-activity profiles and interplay with LPMOs.
Nat Commun, 12, 2021
8SKJ
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BU of 8skj by Molmil
Crystal structure of a Nanobody bound to the V5 peptide.
Descriptor: NbA1, V5 Epitope Tag Peptide
Authors:Zaghal, M, Matte, K, Venes, A, Patel, S, Laroche, G, Sarvan, S, Joshi, M, Couture, J.F, Giguere, P.M.
Deposit date:2023-04-19
Release date:2023-11-22
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Development of a V5-tag-directed nanobody and its implementation as an intracellular biosensor of GPCR signaling.
J.Biol.Chem., 299, 2023
6YJO
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BU of 6yjo by Molmil
Structure of FgChi7B
Descriptor: FAD-binding PCMH-type domain-containing protein, FLAVIN-ADENINE DINUCLEOTIDE, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Haddad Momeni, M, Fredslund, F, Berrin, J.G, Abou Hachem, M, Welner, D.H.
Deposit date:2020-04-04
Release date:2021-03-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Discovery of fungal oligosaccharide-oxidising flavo-enzymes with previously unknown substrates, redox-activity profiles and interplay with LPMOs.
Nat Commun, 12, 2021
5CJ7
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BU of 5cj7 by Molmil
Human DNA polymerase lambda L431A mutant- MgdTTP binary and complex with 6 paired DNA
Descriptor: DNA (5'-D(*CP*AP*GP*TP*AP*C)-3'), DNA (5'-D(P*GP*TP*AP*CP*TP*G)-3'), DNA polymerase lambda, ...
Authors:Liu, M.S, Tsai, M.D.
Deposit date:2015-07-14
Release date:2016-02-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.901 Å)
Cite:Structural Mechanism for the Fidelity Modulation of DNA Polymerase lambda
J.Am.Chem.Soc., 138, 2016
7NWY
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BU of 7nwy by Molmil
Crystal structure of alpha carbonic anhydrase from schistosoma mansoni with 4-(3-(4-fluorophenyl)ureido)benzenesulfonamide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-{[(4-fluorophenyl)carbamoyl]amino}benzenesulfonamide, Carbonic anhydrase, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2021-03-17
Release date:2022-03-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.807 Å)
Cite:Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides.
J.Med.Chem., 64, 2021
6Y99
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BU of 6y99 by Molmil
hSTING mutant R232K in complex with 2',3'-cGAMP
Descriptor: Stimulator of interferon genes protein, cGAMP
Authors:Boura, E, Smola, M.
Deposit date:2020-03-06
Release date:2021-03-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.984 Å)
Cite:Ligand Strain and Its Conformational Complexity Is a Major Factor in the Binding of Cyclic Dinucleotides to STING Protein.
Angew.Chem.Int.Ed.Engl., 60, 2021
6MO6
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BU of 6mo6 by Molmil
Crystal structure of the selenomethionine-substituted human sulfide:quinone oxidoreductase
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Sulfide:quinone oxidoreductase, ...
Authors:Jackson, M.R, Jorns, M.S, Loll, P.J.
Deposit date:2018-10-04
Release date:2019-04-10
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:X-Ray Structure of Human Sulfide:Quinone Oxidoreductase: Insights into the Mechanism of Mitochondrial Hydrogen Sulfide Oxidation.
Structure, 27, 2019
7O48
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BU of 7o48 by Molmil
Crystal structure of carbonic anhydrase from schistosoma mansoni with 4-(2-(3-(4-iodophenyl)thioureido)ethyl)benzenesulfonamide
Descriptor: 1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2021-04-05
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides.
J.Med.Chem., 64, 2021
7O2S
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BU of 7o2s by Molmil
Crystal structure of a tetrameric form of Carbonic anhydrase from Schistosoma mansoni
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Carbonic anhydrase, ...
Authors:Ferraroni, M, Angeli, A.
Deposit date:2021-03-31
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides.
J.Med.Chem., 64, 2021
2R9A
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BU of 2r9a by Molmil
Crystal structure of human XLF
Descriptor: Non-homologous end-joining factor 1
Authors:Andres, S.N, Junop, M.S.
Deposit date:2007-09-12
Release date:2008-01-01
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of Human XLF: A Twist in Nonhomologous DNA End-Joining
Mol.Cell, 28
6YDB
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BU of 6ydb by Molmil
Human wtSTING in complex with 2',2'-difluoro-3',3'-c-di-GMP
Descriptor: 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{R})-17-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]-1~{H}-purin-6-one, Stimulator of interferon protein
Authors:Boura, E, Smola, M.
Deposit date:2020-03-20
Release date:2021-03-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:Ligand Strain and Its Conformational Complexity Is a Major Factor in the Binding of Cyclic Dinucleotides to STING Protein.
Angew.Chem.Int.Ed.Engl., 60, 2021
6YDZ
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BU of 6ydz by Molmil
Human wtSTING in complex with 3',3'-cGAMP
Descriptor: 2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, Stimulator of interferon protein
Authors:Boura, E, Smola, M.
Deposit date:2020-03-23
Release date:2021-03-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Ligand Strain and Its Conformational Complexity Is a Major Factor in the Binding of Cyclic Dinucleotides to STING Protein.
Angew.Chem.Int.Ed.Engl., 60, 2021
6YEA
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BU of 6yea by Molmil
Human wtSTING in complex with 2',2'-difluoro-3',3'-cGAMP
Descriptor: 2',2'-difluoro-3',3'-cGAMP, Stimulator of interferon protein
Authors:Boura, E, Smola, M.
Deposit date:2020-03-24
Release date:2021-03-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.805 Å)
Cite:Ligand Strain and Its Conformational Complexity Is a Major Factor in the Binding of Cyclic Dinucleotides to STING Protein.
Angew.Chem.Int.Ed.Engl., 60, 2021
8SUV
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BU of 8suv by Molmil
CHIP-TPR in complex with the C-terminus of CHIC2
Descriptor: Cysteine-rich hydrophobic domain-containing protein 2, E3 ubiquitin-protein ligase CHIP, SULFATE ION
Authors:Cupo, A.R, McDermott, L.E, DeSilva, A.R, Callahan, M, Nix, J.C, Gestwicki, J.E, Page, R.C.
Deposit date:2023-05-13
Release date:2024-03-20
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Interaction with the membrane-anchored protein CHIC2 constrains the ubiquitin ligase activity of CHIP
Biorxiv, 2023
7OA1
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BU of 7oa1 by Molmil
Crystal structure of alfa carbonic anhydrase from Schistosoma mansoni with 4-(2-(3-(4-iodophenyl)ureido)ethyl)benzenesulfonamide
Descriptor: 1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Angelil, A, Ferraroni, M.
Deposit date:2021-04-18
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides.
J.Med.Chem., 64, 2021
5L37
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BU of 5l37 by Molmil
The structure of the pentameric shell protein MSM0273 from the RMM microcompartment
Descriptor: MSM0273
Authors:Mallette, E, Kimber, M.S.
Deposit date:2016-08-03
Release date:2016-12-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A Complete Structural Inventory of the Mycobacterial Microcompartment Shell Proteins Constrains Models of Global Architecture and Transport.
J. Biol. Chem., 292, 2017
1WWL
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BU of 1wwl by Molmil
Crystal structure of CD14
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Monocyte differentiation antigen CD14
Authors:Kim, J.-I, Lee, C.J, Jin, M.S, Lee, C.-H, Paik, S.-G, Lee, H, Lee, J.-O.
Deposit date:2005-01-06
Release date:2005-02-22
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of CD14 and Its Implications for Lipopolysaccharide Signaling
J.Biol.Chem., 280, 2005
6Y0D
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BU of 6y0d by Molmil
Crystal structure of Trypanosoma cruzi antigen TcSMP11.90
Descriptor: Surface membrane protein
Authors:Di Pisa, F, Gourlay, L.J, Bolognesi, M, De Benedetti, S.
Deposit date:2020-02-07
Release date:2022-02-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Elucidating the 3D Structure of a Surface Membrane Antigen from Trypanosoma cruzi as a Serodiagnostic Biomarker of Chagas Disease.
Vaccines (Basel), 10, 2022

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