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4URO	Crystal Structure of Staph GyraseB 24kDa in complex with Novobiocin Descriptor: DNA GYRASE SUBUNIT B, NOVOBIOCIN Authors: Lu, J, Patel, S, Sharma, N, Soisson, S, Kishii, R, Takei, M, Fukuda, Y, Lumb, K.J, Singh, S.B. Deposit date: 2014-07-01 Release date: 2014-07-30 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.59 Å) Cite: Structures of Kibdelomycin Bound to Staphylococcus Aureus Gyrb and Pare Showed a Novel U-Shaped Binding Mode. Acs Chem.Biol., 9, 2014
4KSG	Dna gyrase atp binding domain of enterococcus faecalis in complex with a small molecule inhibitor (4-[(1S,5R,6R)-6-AMINO-1-METHYL-3-AZABICYCLO[3.2.0]HEPT-3-YL]-6-FLUORO-N-METHYL-2-[(2-METHYLPYRIMIDIN-5-YL)OXY]-9H-PYRIMIDO[4,5-B]INDOL-8-AMINE) Descriptor: 4-[(1S,5R,6R)-6-amino-1-methyl-3-azabicyclo[3.2.0]hept-3-yl]-6-fluoro-N-methyl-2-[(2-methylpyrimidin-5-yl)oxy]-9H-pyrimido[4,5-b]indol-8-amine, DNA gyrase subunit B, TERTIARY-BUTYL ALCOHOL Authors: Bensen, D.C, Akers-Rodriguez, S, Tari, L.W. Deposit date: 2013-05-17 Release date: 2014-01-15 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.75 Å) Cite: A new class of type iia topoisomerase inhibitors with broad-spectrum antibacterial activity To be Published
4KTN	Dna gyrase atp binding domain of enterococcus faecalis in complex with a small molecule inhibitor ((3S)-1-[2-(PYRIDO[2,3-B]PYRAZIN-7-YLSULFANYL)-9H-PYRIMIDO[4,5-B]INDOL-4-YL]PYRROLIDIN-3-AMINE) Descriptor: (3S)-1-[2-(pyrido[2,3-b]pyrazin-7-ylsulfanyl)-9H-pyrimido[4,5-b]indol-4-yl]pyrrolidin-3-amine, DNA gyrase subunit B Authors: Bensen, D.C, Akers-rodriguez, S, Tari, L.W. Deposit date: 2013-05-20 Release date: 2014-01-15 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.69 Å) Cite: A new class of type iia topoisomerase inhibitors with broad-spectrum antibacterial activity To be Published
4LPB	Crystal structure of a topoisomerase ATPase inhibitor Descriptor: 1-ethyl-3-{5'-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3'-bipyridin-6-yl}urea, Topoisomerase IV subunit B Authors: Boriack-Sjodin, A. Deposit date: 2013-07-15 Release date: 2013-10-30 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Fragment-to-Hit-to-Lead Discovery of a Novel Pyridylurea Scaffold of ATP Competitive Dual Targeting Type II Topoisomerase Inhibiting Antibacterial Agents. J.Med.Chem., 56, 2013
3A0Y	Catalytic domain of histidine kinase ThkA (TM1359) (nucleotide free form 3: 1,2-propanediol, orthorombic) Descriptor: Sensor protein Authors: Yamada, S, Sugimoto, H, Kobayashi, M, Ohno, A, Nakamura, H, Shiro, Y. Deposit date: 2009-03-25 Release date: 2009-10-20 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.57 Å) Cite: Structure of PAS-linked histidine kinase and the response regulator complex Structure, 17, 2009
3A0W	Catalytic domain of histidine kinase ThkA (TM1359) for MAD phasing (nucleotide free form 2, orthorombic) Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(ETHYLMERCURI-THIO)-BENZOIC ACID, ETHYL MERCURY ION, ... Authors: Yamada, S, Sugimoto, H, Kobayashi, M, Ohno, A, Nakamura, H, Shiro, Y. Deposit date: 2009-03-24 Release date: 2009-10-20 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.69 Å) Cite: Structure of PAS-linked histidine kinase and the response regulator complex Structure, 17, 2009
4XCL	N-terminal domain of Hsp90 from Dictyostelium discoideum in complex with AGS Descriptor: Heat shock cognate 90 kDa protein, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER Authors: Raman, S, Suguna, K. Deposit date: 2014-12-18 Release date: 2015-12-09 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.21 Å) Cite: First Structural View of a Peptide Interacting with the Nucleotide Binding Domain of Heat Shock Protein 90 Sci Rep, 5, 2015
3A0X	Catalytic domain of histidine kinase ThkA (TM1359) (nucleotide free form 1: ammomium phosphate, monoclinic) Descriptor: Sensor protein Authors: Yamada, S, Sugimoto, H, Kobayashi, M, Ohno, A, Nakamura, H, Shiro, Y. Deposit date: 2009-03-25 Release date: 2009-10-20 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.89 Å) Cite: Structure of PAS-linked histidine kinase and the response regulator complex Structure, 17, 2009
4XC0	N-terminal domain of Hsp90 from Dictyostelium discoideum in complex with ACP Descriptor: DI(HYDROXYETHYL)ETHER, Heat shock cognate 90 kDa protein, MAGNESIUM ION, ... Authors: Raman, S, Suguna, K. Deposit date: 2014-12-17 Release date: 2015-12-09 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.77 Å) Cite: First Structural View of a Peptide Interacting with the Nucleotide Binding Domain of Heat Shock Protein 90 Sci Rep, 5, 2015
3A0T	Catalytic domain of histidine kinase ThkA (TM1359) in complex with ADP and Mg ion (trigonal) Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Sensor protein Authors: Yamada, S, Sugimoto, H, Kobayashi, M, Ohno, A, Nakamura, H, Shiro, Y. Deposit date: 2009-03-24 Release date: 2009-10-20 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.91 Å) Cite: Structure of PAS-linked histidine kinase and the response regulator complex Structure, 17, 2009
3A0Z	Catalytic domain of histidine kinase ThkA (TM1359) (nucleotide free form 4: isopropanol, orthorombic) Descriptor: Sensor protein Authors: Yamada, S, Sugimoto, H, Kobayashi, M, Ohno, A, Nakamura, H, Shiro, Y. Deposit date: 2009-03-25 Release date: 2009-10-20 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Structure of PAS-linked histidine kinase and the response regulator complex Structure, 17, 2009
4XE2	N-terminal domain of Hsp90 from Dictyostelium discoideum in complex with peptide Descriptor: Heat shock cognate 90 kDa protein Authors: Raman, S, Suguna, K. Deposit date: 2014-12-22 Release date: 2015-12-02 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.199 Å) Cite: First Structural View of a Peptide Interacting with the Nucleotide Binding Domain of Heat Shock Protein 90. Sci Rep, 5, 2015
4XCJ	N-terminal domain of Hsp90 from Dictyostelium discoideum in complex with ADP Descriptor: ADENOSINE-5'-DIPHOSPHATE, Heat shock cognate 90 kDa protein, MAGNESIUM ION Authors: Raman, S, Suguna, K. Deposit date: 2014-12-18 Release date: 2015-12-09 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.75 Å) Cite: First Structural View of a Peptide Interacting with the Nucleotide Binding Domain of Heat Shock Protein 90 Sci Rep, 5, 2015
4XDM	N-terminal domain of Hsp90 from Dictyostelium discoideum in complex with Geldanamycin Descriptor: DI(HYDROXYETHYL)ETHER, GELDANAMYCIN, Heat shock cognate 90 kDa protein Authors: Raman, S, Suguna, K. Deposit date: 2014-12-19 Release date: 2015-12-09 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.5 Å) Cite: First Structural View of a Peptide Interacting with the Nucleotide Binding Domain of Heat Shock Protein 90 Sci Rep, 5, 2015
4XD8	N-terminal domain of Hsp90 from Dictyostelium discoideum in complex with ANP Descriptor: Heat shock cognate 90 kDa protein, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER Authors: Raman, S, Suguna, K. Deposit date: 2014-12-19 Release date: 2015-12-09 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.55 Å) Cite: First Structural View of a Peptide Interacting with the Nucleotide Binding Domain of Heat Shock Protein 90 Sci Rep, 5, 2015
4XKA	N-terminal domain of Hsp90 from Dictyostelium discoideum in hexagonal form with glycerol Descriptor: GLYCEROL, Heat shock cognate 90 kDa protein, TRIS(HYDROXYETHYL)AMINOMETHANE Authors: Raman, S, Suguna, K. Deposit date: 2015-01-10 Release date: 2015-12-09 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2 Å) Cite: First Structural View of a Peptide Interacting with the Nucleotide Binding Domain of Heat Shock Protein 90 Sci Rep, 5, 2015
4XKO	N-terminal domain of Hsp90 from Dictyostelium discoideum in hexagonal form with PEG Descriptor: DI(HYDROXYETHYL)ETHER, Heat shock cognate 90 kDa protein, TRIS(HYDROXYETHYL)AMINOMETHANE Authors: Raman, S, Suguna, K. Deposit date: 2015-01-12 Release date: 2015-12-09 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.455 Å) Cite: First Structural View of a Peptide Interacting with the Nucleotide Binding Domain of Heat Shock Protein 90 Sci Rep, 5, 2015
4XKK	Crystal structure of N-terminal domain of Hsp90 from Dictyostelium discoideum Descriptor: Heat shock cognate 90 kDa protein Authors: Raman, S, Suguna, K. Deposit date: 2015-01-12 Release date: 2015-01-28 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Heat shock protein 90 regulates development in Dictyostelium discoideum J. Mol. Biol., 383, 2008
2YGE	E88G-N92L Mutant of N-Term HSP90 complexed with Geldanamycin Descriptor: ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, GELDANAMYCIN, GLYCEROL Authors: Roe, M, Prodromou, C, Pearl, L.H. Deposit date: 2011-04-14 Release date: 2011-11-16 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (1.956 Å) Cite: Features of the Streptomyces Hygroscopicus Htpg Reveal How Partial Geldanamycin Resistance Can Arise by Mutation to the ATP Binding Pocket of a Eukaryotic Hsp90. Faseb J., 25, 2011
2YGF	L89V, L93I and V136M Mutant of N-Term HSP90 complexed with Geldanamycin Descriptor: ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, GELDANAMYCIN, GLYCEROL Authors: Roe, M, Prodromou, C, Pearl, L.H. Deposit date: 2011-04-14 Release date: 2011-11-16 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (2 Å) Cite: Features of the Streptomyces Hygroscopicus Htpg Reveal How Partial Geldanamycin Resistance Can Arise by Mutation to the ATP Binding Pocket of a Eukaryotic Hsp90. Faseb J., 25, 2011
1YS3	Crystal Structure of the ATP binding domain of PrrB from Mycobacterium Tuberculosis Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Sensor-type histidine kinase prrB Authors: Nowak, E, Panjikar, S, Tucker, P, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB) Deposit date: 2005-02-07 Release date: 2005-07-12 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Crystal structure of ATP binding domain of Hidtidine Kinase from MTB To be Published
1YSR	Crystal Structure of ATP binding domain of PrrB from Mycobacterium Tuberculosis Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Sensor-type histidine kinase prrB Authors: Nowak, E, Panjikar, S, Tucker, P, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB) Deposit date: 2005-02-09 Release date: 2005-07-12 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.78 Å) Cite: Crystal Structure of ATP binding domain of PrrB from Mycobacterium Tuberculosis To be published
4KSH	Dna gyrase atp binding domain of enterococcus faecalis in complex with a small molecule inhibitor (7-({4-[(3R)-3-AMINOPYRROLIDIN-1-YL]-5-CHLORO-6-ETHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-2-YL}SULFANYL)-1,5-NAPHTHYRIDIN-1(4H)-OL) Descriptor: 7-({4-[(3R)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)-1,5-naphthyridin-1(4H)-ol, DNA gyrase subunit B, GLYCEROL Authors: Bensen, D.C, Akers-Rodriguez, S, Tari, L.W. Deposit date: 2013-05-17 Release date: 2014-01-15 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.7 Å) Cite: A new class of type iia topoisomerase inhibitors with broad-spectrum antibacterial activity To be Published
4MOT	Structure of Streptococcus pneumonia pare in complex with AZ13072886 Descriptor: 1-[4-(3-methylbutyl)-5-oxo-6-(pyridin-3-yl)-4,5-dihydro[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-prop-2-en-1-ylurea, Topoisomerase IV subunit B Authors: Ogg, D, Boriack-Sjodin, P.A. Deposit date: 2013-09-12 Release date: 2013-11-20 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Thiazolopyridone ureas as DNA gyrase B inhibitors: Optimization of antitubercular activity and efficacy. Bioorg.Med.Chem.Lett., 24, 2014
3C0E	Yeast Hsp82 N-terminal domain: effects of mutants 98-99 KS-AA Descriptor: ATP-dependent molecular chaperone HSP82 Authors: Immormino, R.M, Gewirth, D.T. Deposit date: 2008-01-19 Release date: 2008-07-29 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Crystal Structure of GRP94 with the Specific Mutation KS168-169AA with Bound Geldanamycin To be Published

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