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6IFV
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BU of 6ifv by Molmil
C-terminal truncated KsgA from Bacillus subtilis 168
Descriptor: Ribosomal RNA small subunit methyltransferase A
Authors:Bhujbalrao, R, Anand, R.
Deposit date:2018-09-21
Release date:2019-01-30
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Deciphering Determinants in Ribosomal Methyltransferases That Confer Antimicrobial Resistance.
J. Am. Chem. Soc., 141, 2019
6IFT
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BU of 6ift by Molmil
KsgA from Bacillus subtilis in complex with SAM
Descriptor: Ribosomal RNA small subunit methyltransferase A, S-ADENOSYLMETHIONINE
Authors:Bhujbalrao, R, Anand, R.
Deposit date:2018-09-21
Release date:2019-01-30
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Deciphering Determinants in Ribosomal Methyltransferases That Confer Antimicrobial Resistance.
J. Am. Chem. Soc., 141, 2019
6IFW
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BU of 6ifw by Molmil
crystal structure of chimeric construct of KsgA with loop 1 from erm
Descriptor: Ribosomal RNA small subunit methyltransferase A
Authors:Bhujbalrao, R, Anand, R.
Deposit date:2018-09-21
Release date:2019-01-30
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Deciphering Determinants in Ribosomal Methyltransferases That Confer Antimicrobial Resistance.
J. Am. Chem. Soc., 141, 2019
6IFX
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BU of 6ifx by Molmil
Crystal structure of chimeric KsgA with loop 12 from Erm
Descriptor: Ribosomal RNA small subunit methyltransferase A
Authors:Bhujbalrao, R, Anand, R.
Deposit date:2018-09-21
Release date:2019-02-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Deciphering Determinants in Ribosomal Methyltransferases That Confer Antimicrobial Resistance.
J. Am. Chem. Soc., 141, 2019
6IFS
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BU of 6ifs by Molmil
KsgA from Bacillus subtilis 168
Descriptor: Ribosomal RNA small subunit methyltransferase A
Authors:Bhujbalrao, R, Anand, R.
Deposit date:2018-09-21
Release date:2019-01-30
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Deciphering Determinants in Ribosomal Methyltransferases That Confer Antimicrobial Resistance.
J. Am. Chem. Soc., 141, 2019
5IXD
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BU of 5ixd by Molmil
Structure of human JAK1 FERM/SH2 in complex with IFN lambda receptor
Descriptor: CITRIC ACID, Interferon lambda receptor 1, Tyrosine-protein kinase JAK1
Authors:Ferrao, R, Wallweber, H.J.A, Lupardus, P.J.
Deposit date:2016-03-23
Release date:2016-05-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:The Structural Basis for Class II Cytokine Receptor Recognition by JAK1.
Structure, 24, 2016
5IXI
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BU of 5ixi by Molmil
Structure of human JAK1 FERM/SH2 in complex with IFNLR1/IL10RA chimera
Descriptor: Chimera protein of Interferon lambda receptor 1 and Interleukin-10 receptor subunit alpha, Tyrosine-protein kinase JAK1
Authors:Ferrao, R, Wallweber, H.J.A, Lupardus, P.J.
Deposit date:2016-03-23
Release date:2016-05-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:The Structural Basis for Class II Cytokine Receptor Recognition by JAK1.
Structure, 24, 2016
4U97
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BU of 4u97 by Molmil
Crystal Structure of Asymmetric IRAK4 Dimer
Descriptor: Interleukin-1 receptor-associated kinase 4, STAUROSPORINE, SULFATE ION
Authors:Ferrao, R, Wu, H.
Deposit date:2014-08-05
Release date:2014-09-24
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:IRAK4 Dimerization and trans-Autophosphorylation Are Induced by Myddosome Assembly.
Mol.Cell, 55, 2014
4U9A
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BU of 4u9a by Molmil
Sulphur Anomalous Crystal Structure of Asymmetric IRAK4 Dimer
Descriptor: Interleukin-1 receptor-associated kinase 4, STAUROSPORINE, SULFATE ION
Authors:Ferrao, R, Liu, Q, Wu, H.
Deposit date:2014-08-05
Release date:2014-09-24
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:IRAK4 Dimerization and trans-Autophosphorylation Are Induced by Myddosome Assembly.
Mol.Cell, 55, 2014
6EGF
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BU of 6egf by Molmil
Crystal structure of the inactive unphosphorylated IRAK4 kinase domain bound to AMP-PNP
Descriptor: Interleukin-1 receptor-associated kinase 4, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Ferrao, R, Wu, H.
Deposit date:2018-08-19
Release date:2019-02-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Conformational flexibility and inhibitor binding to unphosphorylated interleukin-1 receptor-associated kinase 4 (IRAK4).
J.Biol.Chem., 294, 2019
6EGD
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BU of 6egd by Molmil
Crystal structure of the unphosphorylated IRAK4 kinase domain Bound to a type I inhibitor
Descriptor: Interleukin-1 receptor-associated kinase 4, N-[2-methoxy-4-(morpholin-4-yl)phenyl]-2-(pyridin-3-yl)-1,3-thiazole-5-carboxamide
Authors:Ferrao, R, Wu, H.
Deposit date:2018-08-19
Release date:2019-02-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Conformational flexibility and inhibitor binding to unphosphorylated interleukin-1 receptor-associated kinase 4 (IRAK4).
J.Biol.Chem., 294, 2019
6EGE
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BU of 6ege by Molmil
Crystal structure of the unphosphorylated IRAK4 kinase domain Bound to a type I inhibitor
Descriptor: Interleukin-1 receptor-associated kinase 4, N-[2-methoxy-4-(morpholin-4-yl)phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
Authors:Ferrao, R, Liu, Q, Wu, H.
Deposit date:2018-08-19
Release date:2019-02-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.401 Å)
Cite:Conformational flexibility and inhibitor binding to unphosphorylated interleukin-1 receptor-associated kinase 4 (IRAK4).
J.Biol.Chem., 294, 2019
5V9X
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BU of 5v9x by Molmil
Structure of Mycobacterium smegmatis helicase Lhr bound to ssDNA and AMP-PNP
Descriptor: ATP-dependent DNA helicase, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Ordonez, H, Jacewicz, A, Ferrao, R, Shuman, S.
Deposit date:2017-03-23
Release date:2017-12-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.797 Å)
Cite:Structure of mycobacterial 3'-to-5' RNA:DNA helicase Lhr bound to a ssDNA tracking strand highlights distinctive features of a novel family of bacterial helicases.
Nucleic Acids Res., 46, 2018
6E27
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BU of 6e27 by Molmil
The CARD9 CARD domain-swapped dimer with a zinc ion bound to one of the two zinc binding sites
Descriptor: Caspase recruitment domain-containing protein 9, ZINC ION
Authors:Holliday, M.J, Ferrao, R, Boenig, G, Deuber, E.C, Fairbrother, W.J.
Deposit date:2018-07-10
Release date:2018-09-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.811 Å)
Cite:Picomolar zinc binding modulates formation of Bcl10-nucleating assemblies of the caspase recruitment domain (CARD) of CARD9.
J. Biol. Chem., 293, 2018
6E28
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BU of 6e28 by Molmil
The CARD9 CARD domain-swapped dimer
Descriptor: Caspase recruitment domain-containing protein 9
Authors:Holliday, M.J, Ferrao, R, Boenig, G, Deuber, E.C, Fairbrother, W.J.
Deposit date:2018-07-10
Release date:2018-09-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Picomolar zinc binding modulates formation of Bcl10-nucleating assemblies of the caspase recruitment domain (CARD) of CARD9.
J. Biol. Chem., 293, 2018
2X00
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BU of 2x00 by Molmil
CRYSTAL STRUCTURE OF A-ACHBP IN COMPLEX WITH GYMNODIMINE A
Descriptor: GYMNODIMINE A, SOLUBLE ACETYLCHOLINE RECEPTOR
Authors:Bourne, Y, Radic, Z, Araoz, R, Talley, T.T, Benoit, E, Servent, D, Taylor, P, Molgo, J, Marchot, P.
Deposit date:2009-12-04
Release date:2010-03-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Determinants in Phycotoxins and Achbp Conferring High Affinity Binding and Nicotinic Achr Antagonism.
Proc.Natl.Acad.Sci.USA, 107, 2010
2WZY
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BU of 2wzy by Molmil
Crystal structure of A-AChBP in complex with 13-desmethyl spirolide C
Descriptor: 13-DESMETHYL SPIROLIDE C, SOLUBLE ACETYLCHOLINE RECEPTOR
Authors:Bourne, Y, Radic, Z, Araoz, R, Talley, T.T, Benoit, E, Servent, D, Taylor, P, Molgo, J, Marchot, P.
Deposit date:2009-12-03
Release date:2010-03-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structural Determinants in Phycotoxins and Achbp Conferring High Affinity Binding and Nicotinic Achr Antagonism.
Proc.Natl.Acad.Sci.USA, 107, 2010
4FT8
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BU of 4ft8 by Molmil
E. coli Catabolite Activator Protein with Cobalt and Sulfate Ligands
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, COBALT (II) ION, Catabolite gene activator, ...
Authors:Rao, R, Lawson, C.L.
Deposit date:2012-06-27
Release date:2013-12-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.966 Å)
Cite:Structure of catabolite activator protein with cobalt(II) and sulfate.
Acta Crystallogr F Struct Biol Commun, 70, 2014
6E2P
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BU of 6e2p by Molmil
Structure of human JAK2 FERM/SH2 in complex with Leptin Receptor
Descriptor: Leptin receptor, SULFATE ION, Tyrosine-protein kinase JAK2
Authors:Ferrao, R, Lupardus, P.J, Wallweber, H.J.A.
Deposit date:2018-07-11
Release date:2018-08-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Receptor-mediated dimerization of JAK2 FERM domains is required for JAK2 activation.
Elife, 7, 2018
6E2Q
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BU of 6e2q by Molmil
Structure of human JAK2 FERM/SH2 in complex with Erythropoietin Receptor
Descriptor: Erythropoietin receptor, Tyrosine-protein kinase JAK2
Authors:Ferrao, R, Lupardus, P.J.
Deposit date:2018-07-11
Release date:2018-08-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Receptor-mediated dimerization of JAK2 FERM domains is required for JAK2 activation.
Elife, 7, 2018
3UGC
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BU of 3ugc by Molmil
Structural basis of Jak2 inhibition by the type II inhibtor NVP-BBT594
Descriptor: 5-{[6-(acetylamino)pyrimidin-4-yl]oxy}-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-2,3-dihydro-1H-indole-1-carboxamide, MALONATE ION, Tyrosine-protein kinase JAK2
Authors:Scheufler, C, Tavares, G.A, Manley, P.W, Pissot-Soldermann, C, Kroemer, M.
Deposit date:2011-11-02
Release date:2012-05-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Modulation of activation-loop phosphorylation by JAK inhibitors is binding mode dependent.
Cancer Discov, 2, 2012
5HN0
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BU of 5hn0 by Molmil
Dengue serotype 3 RNA-dependent RNA polymerase bound to compound 4
Descriptor: (6-hydroxybiphenyl-3-yl)acetic acid, RNA-directed RNA polymerase NS5, ZINC ION
Authors:Noble, C.G.
Deposit date:2016-01-17
Release date:2016-03-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery of Potent Non-Nucleoside Inhibitors of Dengue Viral RNA-Dependent RNA Polymerase from a Fragment Hit Using Structure-Based Drug Design.
J.Med.Chem., 59, 2016
5HMX
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BU of 5hmx by Molmil
Dengue serotype 3 RNA-dependent RNA polymerase bound to compound 10
Descriptor: 2,2'-(5-(thiophen-2-yl)-1,3-phenylene)diacetic acid, RNA-directed RNA polymerase NS5, ZINC ION
Authors:Noble, C.G.
Deposit date:2016-01-17
Release date:2016-03-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of Potent Non-Nucleoside Inhibitors of Dengue Viral RNA-Dependent RNA Polymerase from a Fragment Hit Using Structure-Based Drug Design
J.Med.Chem., 59, 2016
5HMZ
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BU of 5hmz by Molmil
Dengue serotype 3 RNA-dependent RNA polymerase bound to compound 23
Descriptor: 5-(5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl)-4-methoxy-2-methyl-N-(methylsulfonyl)benzamide, RNA-directed RNA polymerase NS5, ZINC ION
Authors:Noble, C.G.
Deposit date:2016-01-17
Release date:2016-03-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Discovery of Potent Non-Nucleoside Inhibitors of Dengue Viral RNA-Dependent RNA Polymerase from a Fragment Hit Using Structure-Based Drug Design
J.Med.Chem., 59, 2016
5HMY
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BU of 5hmy by Molmil
Dengue serotype 3 RNA-dependent RNA polymerase bound to compound 15
Descriptor: 2,2'-(5-(5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl)-1,3-phenylene)diacetic acid, RNA-directed RNA polymerase NS5, ZINC ION
Authors:Noble, C.G.
Deposit date:2016-01-17
Release date:2016-03-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of Potent Non-Nucleoside Inhibitors of Dengue Viral RNA-Dependent RNA Polymerase from a Fragment Hit Using Structure-Based Drug Design.
J.Med.Chem., 59, 2016

 

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