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1AJ6
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1aj6
NOVOBIOCIN-RESISTANT MUTANT (R136H) OF THE N-TERMINAL 24 KDA FRAGMENT OF DNA GYRASE B COMPLEXED WITH NOVOBIOCIN AT 2.3 ANGSTROMS RESOLUTION
Descriptor:GYRASE, NOVOBIOCIN
Authors:Weston, S.A., Tunnicliffe, A., Pauptit, R.A.
Deposit date:1997-05-15
Release date:1998-05-20
Modification date:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The entropic penalty of ordered water accounts for weaker binding of the antibiotic novobiocin to a resistant mutant of DNA gyrase: a thermodynamic and crystallographic study.
Biochemistry, 36, 1997
1ID0
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1id0
CRYSTAL STRUCTURE OF THE NUCLEOTIDE BOND CONFORMATION OF PHOQ KINASE DOMAIN
Descriptor:PHOQ HISTIDINE KINASE (E.C.2.7.1.37 )
Authors:Marina, A., Mott, C., Auyzenberg, A, Waldburger, C.D., Hendrickson, W.A.
Deposit date:2001-04-02
Release date:2001-10-17
Modification date:2009-02-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and mutational analysis of the PhoQ histidine kinase catalytic domain. Insight into the reaction mechanism.
J.Biol.Chem., 276, 2001
1KZN
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1kzn
CRYSTAL STRUCTURE OF E. COLI 24KDA DOMAIN IN COMPLEX WITH CLOROBIOCIN
Descriptor:DNA GYRASE SUBUNIT B (E.C.5.99.1.3)
Authors:Lafitte, D., Lamour, V., Tsvetkov, P.O., Makarov, A.A., Klich, M., Deprez, P., Moras, D., Briand, C., Gilli, R.
Deposit date:2002-02-07
Release date:2002-06-19
Modification date:2009-02-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:DNA gyrase interaction with coumarin-based inhibitors: the role of the hydroxybenzoate isopentenyl moiety and the 5'-methyl group of the noviose.
Biochemistry, 41, 2002
1R62
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1r62
CRYSTAL STRUCTURE OF THE C-TERMINAL DOMAIN OF THE TWO-COMPONENT SYSTEM TRANSMITTER PROTEIN NRII (NTRB)
Descriptor:Nitrogen regulation protein NR(II) (E.C.2.7.3.-)
Authors:Song, Y., Peisach, D., Pioszak, A.A., Xu, Z., Ninfa, A.J.
Deposit date:2003-10-14
Release date:2004-06-15
Modification date:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of the C-terminal Domain of the Two-Component System Transmitter Protein Nitrogen Regulator II (NRII; NtrB), Regulator of Nitrogen Assimilation in Escherichia coli.
Biochemistry, 43, 2004
1S14
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1s14
CRYSTAL STRUCTURE OF ESCHERICHIA COLI TOPOISOMERASE IV PARE 24KDA SUBUNIT
Descriptor:Topoisomerase IV subunit B (E.C.5.99.1.-)
Authors:Wei, Y., Gross, C.H.
Deposit date:2004-01-05
Release date:2004-05-04
Modification date:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of Escherichia coli topoisomerase IV ParE subunit (24 and 43 kilodaltons): a single residue dictates differences in novobiocin potency against topoisomerase IV and DNA gyrase.
Antimicrob.Agents Chemother., 48, 2004
3A0T
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3a0t
CATALYTIC DOMAIN OF HISTIDINE KINASE THKA (TM1359) IN COMPLEX WITH ADP AND MG ION (TRIGONAL)
Descriptor:Sensor protein (E.C.2.7.13.3)
Authors:Yamada, S., Sugimoto, H., Kobayashi, M., Ohno, A., Nakamura, H., Shiro, Y.
Deposit date:2009-03-24
Release date:2009-10-20
Modification date:2013-07-10
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structure of PAS-linked histidine kinase and the response regulator complex
Structure, 17, 2009
3A0W
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3a0w
CATALYTIC DOMAIN OF HISTIDINE KINASE THKA (TM1359) FOR MAD PHASING (NUCLEOTIDE FREE FORM 2, ORTHOROMBIC)
Descriptor:Sensor protein (E.C.2.7.13.3)
Authors:Yamada, S., Sugimoto, H., Kobayashi, M., Ohno, A., Nakamura, H., Shiro, Y.
Deposit date:2009-03-24
Release date:2009-10-20
Modification date:2009-11-17
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structure of PAS-linked histidine kinase and the response regulator complex
Structure, 17, 2009
3A0X
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3a0x
CATALYTIC DOMAIN OF HISTIDINE KINASE THKA (TM1359) (NUCLEOTIDE FREE FORM 1: AMMOMIUM PHOSPHATE, MONOCLINIC)
Descriptor:Sensor protein (E.C.2.7.13.3)
Authors:Yamada, S., Sugimoto, H., Kobayashi, M., Ohno, A., Nakamura, H., Shiro, Y.
Deposit date:2009-03-25
Release date:2009-10-20
Modification date:2009-11-17
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structure of PAS-linked histidine kinase and the response regulator complex
Structure, 17, 2009
3A0Y
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3a0y
CATALYTIC DOMAIN OF HISTIDINE KINASE THKA (TM1359) (NUCLEOTIDE FREE FORM 3: 1,2-PROPANEDIOL, ORTHOROMBIC)
Descriptor:Sensor protein (E.C.2.7.13.3)
Authors:Yamada, S., Sugimoto, H., Kobayashi, M., Ohno, A., Nakamura, H., Shiro, Y.
Deposit date:2009-03-25
Release date:2009-10-20
Modification date:2009-11-17
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Structure of PAS-linked histidine kinase and the response regulator complex
Structure, 17, 2009
3A0Z
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3a0z
CATALYTIC DOMAIN OF HISTIDINE KINASE THKA (TM1359) (NUCLEOTIDE FREE FORM 4: ISOPROPANOL, ORTHOROMBIC)
Descriptor:Sensor protein (E.C.2.7.13.3)
Authors:Yamada, S., Sugimoto, H., Kobayashi, M., Ohno, A., Nakamura, H., Shiro, Y.
Deposit date:2009-03-25
Release date:2009-10-20
Modification date:2009-11-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure of PAS-linked histidine kinase and the response regulator complex
Structure, 17, 2009
3FV5
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3fv5
CRYSTAL STRUCTURE OF E. COLI TOPOISOMERASE IV CO-COMPLEXED WITH INHIBITOR
Descriptor:DNA topoisomerase 4 subunit B (E.C.5.99.1.-)
Authors:Wei, Y., Charifson, P., LeTiran, A.
Deposit date:2009-01-15
Release date:2010-01-26
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design and syntheses of novel C7-derived-aminobenzimidazole ureas: bacterial gyrase/topoisomerase IV inhibitors with potent Gram-positve antibacterial activity
To be Published
3G75
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3g75
CRYSTAL STRUCTURE OF STAPHYLOCOCCUS AUREUS GYRASE B CO-COMPLEXED WITH 4-METHYL-5-[3-(METHYLSULFANYL)-1H-PYRAZOL-5-YL]-2-THIOPHEN-2-YL-1,3-THIAZOLE INHIBITOR
Descriptor:DNA gyrase subunit B (E.C.5.99.1.3)
Authors:Wei, Y., Charifson, P.
Deposit date:2009-02-09
Release date:2010-02-09
Modification date:2013-07-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of pyrazolthiazoles as novel and potent inhibitors of bacterial gyrase.
Bioorg.Med.Chem.Lett., 20, 2010
3G7B
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3g7b
STAPHYLOCOCCUS AUREUS GYRASE B CO-COMPLEX WITH METHYL ({5-[4-(4-HYDROXYPIPERIDIN-1-YL)-2-PHENYL-1,3-THIAZOL-5-YL]-1H-PYRAZOL-3-YL}METHYL)CARBAMATE INHIBITOR
Descriptor:DNA gyrase subunit B (E.C.5.99.1.3)
Authors:Wei, Y., Charisfon, P.
Deposit date:2009-02-09
Release date:2010-02-09
Modification date:2013-07-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of pyrazolthiazoles as novel and potent inhibitors of bacterial gyrase.
Bioorg.Med.Chem.Lett., 20, 2010
3G7E
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3g7e
CRYSTAL STRUCTURE OF E. COLI GYRASE B CO-COMPLEXED WITH PROP-2-YN-1-YL {[5-(4-PIPERIDIN-1-YL-2-PYRIDIN-3-YL-1,3-THIAZOL-5-YL)-1H-PYRAZOL-3-YL]METHYL}CARBAMATE INHIBITOR
Descriptor:E.coli gyrase
Authors:Wei, Y., Charifson, P.
Deposit date:2009-02-09
Release date:2010-02-09
Modification date:2013-07-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of pyrazolthiazoles as novel and potent inhibitors of bacterial gyrase.
Bioorg.Med.Chem.Lett., 20, 2010
3SL2
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3sl2
ATP FORMS A STABLE COMPLEX WITH THE ESSENTIAL HISTIDINE KINASE WALK (YYCG) DOMAIN
Descriptor:Sensor histidine kinase yycG (E.C.2.7.13.3)
Authors:Celikel, R., Veldore, V.H., Mathews, I., Devine, K., Varughese, K.I.
Deposit date:2011-06-23
Release date:2012-06-27
Modification date:2013-01-23
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:ATP forms a stable complex with the essential histidine kinase WalK (YycG) domain.
Acta Crystallogr.,Sect.D, 68, 2012
3ZXQ
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3zxq
CRYSTAL STRUCTURE OF THE ATP-BINDING DOMAIN OF MYCOBACTERIUM TUBERCULOSIS DOST
Descriptor:HYPOXIA SENSOR HISTIDINE KINASE RESPONSE REGULATOR DOST
Authors:Cho, H.Y., Cho, H.J., Kang, B.S.
Deposit date:2011-08-15
Release date:2011-08-24
Modification date:2013-05-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Activation of ATP Binding for the Autophosphorylation of Doss, a Mycobacterium Tuberculosis Histidine Kinase Lacking an ATP-Lid Motif.
J.Biol.Chem., 288, 2013
4B6C
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4b6c
STRUCTURE OF THE M. SMEGMATIS GYRB ATPASE DOMAIN IN COMPLEX WITH AN AMINOPYRAZINAMIDE
Descriptor:DNA GYRASE SUBUNIT B (E.C.5.99.1.3)
Authors:Tucker, J.A., Shirude, P.S., Madhavapeddi, P., Hussein, S., Basu, R., Ghorpade, S.
Deposit date:2012-08-09
Release date:2013-01-23
Modification date:2013-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Aminopyrazinamides: Novel and Specific Gyrb Inhibitors that Kill Replicating and Nonreplicating Mycobacterium Tuberculosis.
Acs Chem.Biol., 8, 2013
4BAE
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4bae
OPTIMISATION OF PYRROLEAMIDES AS MYCOBACTERIAL GYRB ATPASE INHIBITORS: STRUCTURE ACTIVITY RELATIONSHIP AND IN VIVO EFFICACY IN THE MOUSE MODEL OF TUBERCULOSIS
Descriptor:DNA GYRASE SUBUNIT B (E.C.5.99.1.3)
Authors:Read, J.A., Gingell, H.G., Madhavapeddi, P.
Deposit date:2012-09-13
Release date:2013-10-30
Modification date:2014-01-15
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Optimization of Pyrrolamides as Mycobacterial Gyrb ATPase Inhibitors: Structure Activity Relationship and in Vivo Efficacy in the Mouse Model of Tuberculosis.
Antimicrob.Agents Chemother., 58, 2014
4DUH
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4duh
CRYSTAL STRUCTURE OF 24 KDA DOMAIN OF E. COLI DNA GYRASE B IN COMPLEX WITH SMALL MOLECULE INHIBITOR
Descriptor:DNA gyrase subunit B (E.C.5.99.1.3)
Authors:Brvar, M., Renko, M., Perdih, A., Solmajer, T., Turk, D.
Deposit date:2012-02-22
Release date:2012-08-01
Modification date:2012-08-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-based discovery of substituted 4,5'-bithiazoles as novel DNA gyrase inhibitors.
J.Med.Chem., 55, 2012
4EM7
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4em7
CRYSTAL STRUCTURE OF A TOPOISOMERASE ATP INHIBITOR
Descriptor:DNA topoisomerase IV, B subunit (E.C.5.99.1.-)
Authors:Boriack-Sjodin, P.A., Manchester, J.
Deposit date:2012-04-11
Release date:2012-08-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of a novel azaindole class of antibacterial agents targeting the ATPase domains of DNA gyrase and Topoisomerase IV.
Bioorg.Med.Chem.Lett., 22, 2012
4EMV
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4emv
CRYSTAL STRUCTURE OF A TOPOISOMERASE ATP INHIBITOR
Descriptor:DNA topoisomerase IV, B subunit (E.C.5.99.1.-)
Authors:Boriack-Sjodin, P.A., Manchester, J., Hull, K.
Deposit date:2012-04-12
Release date:2012-08-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of a novel azaindole class of antibacterial agents targeting the ATPase domains of DNA gyrase and Topoisomerase IV.
Bioorg.Med.Chem.Lett., 22, 2012
4GEE
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4gee
PYRROLOPYRIMIDINE INHIBITORS OF DNA GYRASE B AND TOPOISOMERASE IV, PART I: STRUCTURE GUIDED DISCOVERY AND OPTIMIZATION OF DUAL TARGETING AGENTS WITH POTENT, BROAD-SPECTRUM ENZYMATIC ACTIVITY.
Descriptor:DNA gyrase subunit B (E.C.5.99.1.3)
Authors:Bensen, D.C., Chen, Z., Tari, L.W.
Deposit date:2012-08-01
Release date:2013-02-13
Modification date:2013-02-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
4GFN
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4gfn
PYRROLOPYRIMIDINE INHIBITORS OF DNA GYRASE B AND TOPOISOMERASE IV, PART I: STRUCTURE GUIDED DISCOVERY AND OPTIMIZATION OF DUAL TARGETING AGENTS WITH POTENT, BROAD-SPECTRUM ENZYMATIC
Descriptor:DNA gyrase subunit B (E.C.5.99.1.3)
Authors:Bensen, D.C., Trzoss, M., Tari, L.W.
Deposit date:2012-08-03
Release date:2013-02-13
Modification date:2013-02-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
4GGL
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4ggl
PYRROLOPYRIMIDINE INHIBITORS OF DNA GYRASE B AND TOPOISOMERASE IV, PART I: STRUCTURE GUIDED DISCOVERY AND OPTIMIZATION OF DUAL TARGETING AGENTS WITH POTENT, BROAD-SPECTRUM ENZYMATIC ACTIVITY
Descriptor:DNA gyrase subunit B (E.C.5.99.1.3)
Authors:Bensen, D.C., Creighton, C.J., Tari, L.W.
Deposit date:2012-08-06
Release date:2013-02-13
Modification date:2013-02-27
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
4HXW
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4hxw
PYRROLOPYRIMIDINE INHIBITORS OF DNA GYRASE B AND TOPOISOMERASE IV, PART I: STRUCTURE GUIDED DISCOVERY AND OPTIMIZATION OF DUAL TARGETING AGENTS WITH POTENT, BROAD-SPECTRUM ENZYMATIC ACTIVITY.
Descriptor:DNA gyrase subunit B (E.C.5.99.1.3)
Authors:Bensen, D.C., Trzoss, M., Tari, L.W.
Deposit date:2012-11-12
Release date:2013-02-13
Modification date:2013-02-27
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
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105097
entries available on 2014-12-17
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