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3EHG
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BU of 3ehg by Molmil
Crystal structure of the ATP-binding domain of DesK in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, IODIDE ION, MAGNESIUM ION, ...
Authors:Trajtenberg, F, Buschiazzo, A.
Deposit date:2008-09-12
Release date:2009-09-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structural and enzymatic insights into the ATP binding and autophosphorylation mechanism of a sensor histidine kinase
J.Biol.Chem., 285, 2010
4P8O
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BU of 4p8o by Molmil
S. aureus gyrase bound to an aminobenzimidazole urea inhibitor
Descriptor: 1-ethyl-3-[5-(5-fluoropyridin-3-yl)-7-(pyrimidin-2-yl)-1H-benzimidazol-2-yl]urea, DNA gyrase subunit B
Authors:Jacobs, M.D.
Deposit date:2014-03-31
Release date:2014-10-29
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Second-generation antibacterial benzimidazole ureas: discovery of a preclinical candidate with reduced metabolic liability.
J.Med.Chem., 57, 2014
4PL9
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BU of 4pl9 by Molmil
Structure of the catalytic domain of ETR1 from Arabidopsis thaliana
Descriptor: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, CADMIUM ION, ...
Authors:Panneerselvam, S, Mueller-Dieckmann, J.
Deposit date:2014-05-16
Release date:2014-12-17
Last modified:2015-02-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Model of the Cytosolic Domain of the Plant Ethylene Receptor 1 (ETR1).
J.Biol.Chem., 290, 2015
2WER
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BU of 2wer by Molmil
Yeast Hsp90 N-terminal domain LI-IV mutant with Radicicol
Descriptor: ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, RADICICOL
Authors:Roe, S.M, Prodromou, C, Pearl, L.H.
Deposit date:2009-04-01
Release date:2009-04-14
Last modified:2011-11-02
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Basis of the Radicicol Resistance Displayed by a Fungal Hsp90.
Acs Chem.Biol., 4, 2009
2WEP
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BU of 2wep by Molmil
Yeast Hsp90 N-terminal domain LI-IV mutant with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82
Authors:Roe, S.M, Prodromou, C, Pearl, L.H.
Deposit date:2009-04-01
Release date:2009-04-14
Last modified:2011-11-02
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis of the Radicicol Resistance Displayed by a Fungal Hsp90.
Acs Chem.Biol., 4, 2009
2WEQ
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BU of 2weq by Molmil
Yeast Hsp90 N-terminal domain LI-IV mutant with Geldanamycin
Descriptor: ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, GELDANAMYCIN, GLYCEROL
Authors:Roe, S.M, Prodromou, C, Pearl, L.H.
Deposit date:2009-04-01
Release date:2009-04-14
Last modified:2012-03-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis of the Radicicol Resistance Displayed by a Fungal Hsp90
Acs Chem.Biol., 4, 2009
2VW5
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BU of 2vw5 by Molmil
Structure Of The Hsp90 Inhibitor 7-O-carbamoylpremacbecin Bound To The N- Terminus Of Yeast Hsp90
Descriptor: (4E,8S,9R,10E,12S,13R,14S,16R)-13,20-dihydroxy-14-methoxy-4,8,10,12,16-pentamethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaen-9-yl carbamate, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, SULFATE ION
Authors:Roe, S.M, Prodromou, C, Pearl, L.H.
Deposit date:2008-06-16
Release date:2008-09-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Optimizing Natural Products by Biosynthetic Engineering: Discovery of Nonquinone Hsp90 Inhibitors.
J.Med.Chem., 51, 2008
2VWC
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BU of 2vwc by Molmil
STRUCTURE OF THE HSP90 INHIBITOR MACBECIN BOUND TO THE N-TERMINUS OF YEAST HSP90.
Descriptor: ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, GLYCEROL, MACBECIN
Authors:Roe, S.M, Prodromou, C, Pearl, L.H.
Deposit date:2008-06-20
Release date:2008-07-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular Characterisation of Macbecin as an Hsp90 Inhibitor
J.Med.Chem., 51, 2008
2XD6
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BU of 2xd6 by Molmil
Hsp90 complexed with a resorcylic acid macrolactone.
Descriptor: (5Z)-13-CHLORO-14,16-DIHYDROXY-1,11-DIOXO-3,4,7,8,9,10,11,12-OCTAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-6-CARBALDEHYDE, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, GLYCEROL
Authors:Roe, S.M, Prodromou, C, Pearl, L.H, Moody, C.J.
Deposit date:2010-04-29
Release date:2010-08-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Inhibition of Hsp90 with Resorcylic Acid Macrolactones. Synthesis and Binding Studies.
Chemistry, 16, 2010
2XX4
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BU of 2xx4 by Molmil
Macrolactone Inhibitor bound to HSP90 N-term
Descriptor: (E)-ETHYL 13-CHLORO-14,16-DIHYDROXY-1,11-DIOXO-1,2,3,4,7,8,9,10,11,12-DECAHYDROBENZO[C][1]AZACYCLOTETRADECINE-10-CARBOXYLATE, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82
Authors:Moody, C.J, Prodromou, C, Pearl, L.H, Roe, S.M.
Deposit date:2010-11-08
Release date:2011-11-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.199 Å)
Cite:Targeting the Hsp90 Molecular Chaperone with Novel Macrolactams. Synthesis, Structural, Binding, and Cellular Studies.
Acs Chem.Biol., 6, 2011
2XX5
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BU of 2xx5 by Molmil
Macrolactone Inhibitor bound to HSP90 N-term
Descriptor: (5E,10R)-N-BENZYL-13-CHLORO-14,16-DIHYDROXY-1,11-DIOXO-1,2,3,4,7,8,9,10,11,12-DECAHYDRO-2-BENZAZACYCLOTETRADECINE-10-CARBOXAMIDE, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, GLYCEROL
Authors:Moody, C.J, Prodromou, C, Pearl, L.H, Roe, S.M.
Deposit date:2010-11-08
Release date:2011-11-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Targeting the Hsp90 Molecular Chaperone with Novel Macrolactams. Synthesis, Structural, Binding, and Cellular Studies.
Acs Chem.Biol., 6, 2011
2XX2
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BU of 2xx2 by Molmil
Macrolactone Inhibitor bound to HSP90 N-term
Descriptor: (5E)-13-CHLORO-14,16-DIHYDROXY-3,4,7,8,9,10-HEXAHYDRO-2-BENZAZACYCLOTETRADECINE-1,11(2H,12H)-DIONE, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, GLYCEROL
Authors:Moody, C.J, Prodromou, C, Pearl, L.H, Roe, S.M.
Deposit date:2010-11-08
Release date:2011-11-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Targeting the Hsp90 Molecular Chaperone with Novel Macrolactams. Synthesis, Structural, Binding, and Cellular Studies.
Acs Chem.Biol., 6, 2011
2YGE
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BU of 2yge by Molmil
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:2013-02-06
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
2YGA
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BU of 2yga by Molmil
E88G-N92L Mutant of N-Term HSP90 complexed with Geldanamycin
Descriptor: ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, GELDANAMYCIN
Authors:Roe, S.M, Prodromou, C, Pearl, L.H.
Deposit date:2011-04-12
Release date:2011-11-16
Last modified:2013-02-06
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Features of the Streptomyces Hygroscopicus Htpg Reveal How Partial Geldanamycin Resistance Can Arise with Mutation to the ATP Binding Pocket of a Eukaryotic Hsp90.
Faseb J., 25, 2011
2YGF
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BU of 2ygf by Molmil
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:2017-06-28
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
3A0Y
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BU of 3a0y by Molmil
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
8DVQ
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BU of 8dvq by Molmil
CA domain of VanSA histidine kinase
Descriptor: CADMIUM ION, Sensor protein VanS
Authors:Loll, P.J.
Deposit date:2022-07-29
Release date:2023-03-22
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Structure of VanS from vancomycin-resistant enterococci: A sensor kinase with weak ATP binding.
J.Biol.Chem., 299, 2023
8DWZ
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BU of 8dwz by Molmil
CA domain of VanSA histidine kinase, 7 keV data
Descriptor: CADMIUM ION, Sensor protein VanS
Authors:Loll, P.J.
Deposit date:2022-08-02
Release date:2023-03-22
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structure of VanS from vancomycin-resistant enterococci: A sensor kinase with weak ATP binding.
J.Biol.Chem., 299, 2023
8DX0
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BU of 8dx0 by Molmil
VanSC CA domain
Descriptor: Histidine kinase, MAGNESIUM ION
Authors:Loll, P.J.
Deposit date:2022-08-02
Release date:2023-03-22
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure of VanS from vancomycin-resistant enterococci: A sensor kinase with weak ATP binding.
J.Biol.Chem., 299, 2023
7DQW
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BU of 7dqw by Molmil
E. coli GyrB ATPase domain in complex with 4-chlorophenol
Descriptor: 1H-benzimidazol-2-amine, 4-chlorophenol, DNA gyrase subunit B, ...
Authors:Yu, Y, Zhou, H.
Deposit date:2020-12-24
Release date:2021-10-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
7DPS
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BU of 7dps by Molmil
E. coli GyrB ATPase domain in complex with Methyl 4-hydroxycinnamate
Descriptor: 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ...
Authors:Yu, Y, Zhou, H.
Deposit date:2020-12-21
Release date:2021-10-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
7DPR
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BU of 7dpr by Molmil
E. coli GyrB ATPase domain in complex with methyl 3,4-dihydroxybenzoate
Descriptor: 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ...
Authors:Yu, Y, Zhou, H.
Deposit date:2020-12-21
Release date:2021-10-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
7DQM
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BU of 7dqm by Molmil
E. coli GyrB ATPase domain in complex with Naringenin
Descriptor: 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ...
Authors:Yu, Y, Zhou, H.
Deposit date:2020-12-24
Release date:2021-10-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
7DQF
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BU of 7dqf by Molmil
E. coli GyrB ATPase domain in complex with methyl 2,4-dihydroxybenzoate
Descriptor: 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ...
Authors:Yu, Y, Zhou, H.
Deposit date:2020-12-23
Release date:2021-10-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
7DQH
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BU of 7dqh by Molmil
E. coli GyrB ATPase domain in complex with 2-hydroxybenzamide
Descriptor: 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ...
Authors:Yu, Y, Zhou, H.
Deposit date:2020-12-23
Release date:2021-10-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021

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