1I5A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1i5a by Molmil](/molmil-images/mine/1i5a) | STRUCTURE OF CHEA DOMAIN P4 IN COMPLEX WITH ADPCP AND MANGANESE | Descriptor: | CHEMOTAXIS PROTEIN CHEA, MANGANESE (II) ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | Authors: | Bilwes, A.M, Quezada, C.M, Croal, L.R, Crane, B.R, Simon, M.I. | Deposit date: | 2001-02-26 | Release date: | 2001-08-26 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Nucleotide binding by the histidine kinase CheA. Nat.Struct.Biol., 8, 2001
|
|
1KZN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1kzn by Molmil](/molmil-images/mine/1kzn) | Crystal Structure of E. coli 24kDa Domain in Complex with Clorobiocin | Descriptor: | CLOROBIOCIN, DNA GYRASE SUBUNIT B | 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 | Last modified: | 2024-02-14 | 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
|
|
1I59
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1i59 by Molmil](/molmil-images/mine/1i59) | STRUCTURE OF THE HISTIDINE KINASE CHEA ATP-BINDING DOMAIN IN COMPLEX WITH ADPNP AND MAGENSIUM | Descriptor: | ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, CHEMOTAXIS PROTEIN CHEA, ... | Authors: | Bilwes, A.M, Quezada, C.M, Croal, L.R, Crane, B.R, Simon, M.I. | Deposit date: | 2001-02-26 | Release date: | 2001-08-26 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Nucleotide binding by the histidine kinase CheA. Nat.Struct.Biol., 8, 2001
|
|
1ID0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1id0 by Molmil](/molmil-images/mine/1id0) | CRYSTAL STRUCTURE OF THE NUCLEOTIDE BOND CONFORMATION OF PHOQ KINASE DOMAIN | Descriptor: | MAGNESIUM ION, PHOQ HISTIDINE KINASE, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Marina, A, Mott, C, Auyzenberg, A, Waldburger, C.D, Hendrickson, W.A. | Deposit date: | 2001-04-02 | Release date: | 2001-10-17 | Last modified: | 2024-02-07 | 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
|
|
3Q5L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3q5l by Molmil](/molmil-images/mine/3q5l) | Crystal structure of the amino-terminal domain of HSP90 from Leishmania major, LMJF33.0312:M1-K 213 in the presence of 17-AEP-geldanamycin | Descriptor: | (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-{[2-(pyrrolidin-1-yl)ethyl]amino}-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate, Heat shock protein 83-1 | Authors: | Wernimont, A.K, Tempel, W, Lin, Y.H, Hutchinson, A, MacKenzie, F, Fairlamb, A, Cossar, D, Zhao, Y, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Ferguson, M.A.J, Hui, R, Pizarro, J.C, Hills, T, Structural Genomics Consortium (SGC) | Deposit date: | 2010-12-28 | Release date: | 2011-02-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Crystal structure of the amino-terminal domain of HSP90 from Leishmania major, LMJF33.0312:M1-K 213 in the presence of 17-AEP-geldanamycin. To be Published
|
|
3Q5J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3q5j by Molmil](/molmil-images/mine/3q5j) | Crystal structure of the amino-terminal domain of HSP90 from Leishmania major, LMJF33.0312:M1-K213 in the presence of 17-DMAP-geldanamycin | Descriptor: | (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-{[3-(dimethylamino)propyl]amino}-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate, Heat shock protein 83-1 | Authors: | Wernimont, A.K, Tempel, W, Lin, Y.H, Hutchinson, A, MacKenzie, F, Fairlamb, A, Cossar, D, Zhao, Y, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Ferguson, M.A.J, Hui, R, Pizarro, J.C, Hills, T, Structural Genomics Consortium (SGC) | Deposit date: | 2010-12-28 | Release date: | 2011-02-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of the amino-terminal domain of HSP90 from Leishmania major, LMJF33.0312:M1-K213 in the presence of 17-DMAP-geldanamycin. To be Published
|
|
8OYQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8oyq by Molmil](/molmil-images/mine/8oyq) | |
8OYZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8oyz by Molmil](/molmil-images/mine/8oyz) | |
8OZ9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8oz9 by Molmil](/molmil-images/mine/8oz9) | |
8P3R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8p3r by Molmil](/molmil-images/mine/8p3r) | |
8P3N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8p3n by Molmil](/molmil-images/mine/8p3n) | |
8P59
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8p59 by Molmil](/molmil-images/mine/8p59) | |
8PF2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8pf2 by Molmil](/molmil-images/mine/8pf2) | |
3SL2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3sl2 by Molmil](/molmil-images/mine/3sl2) | ATP Forms a Stable Complex with the Essential Histidine Kinase WalK (YycG) Domain | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Sensor histidine kinase yycG | Authors: | Celikel, R, Veldore, V.H, Mathews, I, Devine, K, Varughese, K.I. | Deposit date: | 2011-06-23 | Release date: | 2012-06-27 | Last modified: | 2023-09-13 | 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
|
|
8SBM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8sbm by Molmil](/molmil-images/mine/8sbm) | Crystal structure of the wild-type Catalytic ATP-binding domain of Mtb DosS | Descriptor: | 1,2-ETHANEDIOL, GAF domain-containing protein, SODIUM ION, ... | Authors: | Larson, G, Shi, K, Aihara, H, Bhagi-Damodaran, A. | Deposit date: | 2023-04-03 | Release date: | 2023-11-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Understanding ATP Binding to DosS Catalytic Domain with a Short ATP-Lid. Biochemistry, 62, 2023
|
|
3U2D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3u2d by Molmil](/molmil-images/mine/3u2d) | S. aureus GyrB ATPase domain in complex with small molecule inhibitor | Descriptor: | 4-bromo-5-methyl-N-[1-(3-nitropyridin-2-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide, DNA gyrase subunit B, MAGNESIUM ION | Authors: | Boriack-Sjodin, P.A, Prince, D.B, Eakin, A.E, Sherer, B.A. | Deposit date: | 2011-10-03 | Release date: | 2012-01-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Pyrrolamide DNA gyrase inhibitors: fragment-based nuclear magnetic resonance screening to identify antibacterial agents. Antimicrob.Agents Chemother., 56, 2012
|
|
3TTZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ttz by Molmil](/molmil-images/mine/3ttz) | Crystal structure of a topoisomerase ATPase inhibitor | Descriptor: | 2-[(3S,4R)-4-{[(3,4-dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}-3-fluoropiperidin-1-yl]-1,3-thiazole-5-carboxylic acid, DNA gyrase subunit B, MAGNESIUM ION | Authors: | Boriack-Sjodin, P.A, Read, J, Eakin, A.E, Sherer, B.A. | Deposit date: | 2011-09-15 | Release date: | 2011-11-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Pyrrolamide DNA gyrase inhibitors: Optimization of antibacterial activity and efficacy. Bioorg.Med.Chem.Lett., 21, 2011
|
|
3U2K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3u2k by Molmil](/molmil-images/mine/3u2k) | S. aureus GyrB ATPase domain in complex with a small molecule inhibitor | Descriptor: | 2-chloro-6-(4-{[(3,4-dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}piperidin-1-yl)pyridine-4-carboxamide, DNA gyrase subunit B, MAGNESIUM ION | Authors: | Boriack-Sjodin, P.A, Prince, D.B, Eakin, A.E, Sherer, B.A. | Deposit date: | 2011-10-03 | Release date: | 2012-01-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Pyrrolamide DNA gyrase inhibitors: fragment-based nuclear magnetic resonance screening to identify antibacterial agents. Antimicrob.Agents Chemother., 56, 2012
|
|
3Q5K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3q5k by Molmil](/molmil-images/mine/3q5k) | Crystal structure of the amino-terminal domain of HSP90 from Leishmania major, LMJF33.0312:M1-K213 in the presence of an inhibitor | Descriptor: | 4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]-2-{[2-(methylsulfanyl)ethyl]amino}benzamide, Heat shock protein 83-1 | Authors: | Wernimont, A.K, Tempel, W, Lin, Y.H, Hutchinson, A, MacKenzie, F, Fairlamb, A, Cossar, D, Zhao, Y, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Ferguson, M.A.J, Hui, R, Pizarro, J.C, Hills, T, Structural Genomics Consortium (SGC) | Deposit date: | 2010-12-28 | Release date: | 2011-02-23 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal structure of the amino-terminal domain of HSP90 from Leishmania major, LMJF33.0312:M1-K213 in the presence of an inhibitor To be Published
|
|
3U67
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3u67 by Molmil](/molmil-images/mine/3u67) | Crystal structure of the N-terminal domain of Hsp90 from Leishmania major(LmjF33.0312)in complex with ADP | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Heat shock protein 83-1, ... | Authors: | Pizarro, J.C, Wernimont, A.K, Hutchinson, A, Mackenzie, F, Fairlamb, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Ferguson, M.A.J, Hui, R, Hills, T, Structural Genomics Consortium (SGC) | Deposit date: | 2011-10-12 | Release date: | 2012-05-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Exploring the Trypanosoma brucei Hsp83 potential as a target for structure guided drug design. PLoS Negl Trop Dis, 7, 2013
|
|
2BRC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2brc by Molmil](/molmil-images/mine/2brc) | Structure of a Hsp90 Inhibitor bound to the N-terminus of Yeast Hsp90. | Descriptor: | 4-[4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-3-METHYL-1H-PYRAZOL-5-YL]-6-ETHYLBENZENE-1,3-DIOL, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82 | Authors: | Roe, S.M, Pearl, L.H, Prodromou, C. | Deposit date: | 2005-05-04 | Release date: | 2005-09-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The identification, synthesis, protein crystal structure and in vitro biochemical evaluation of a new 3,4-diarylpyrazole class of Hsp90 inhibitors. Bioorg. Med. Chem. Lett., 15, 2005
|
|
2BRE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2bre by Molmil](/molmil-images/mine/2bre) | STRUCTURE OF A HSP90 INHIBITOR BOUND TO THE N-TERMINUS OF YEAST HSP90. | Descriptor: | 4-{4-[4-(3-AMINOPROPOXY)PHENYL]-1H-PYRAZOL-5-YL}-6-CHLOROBENZENE-1,3-DIOL, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82 | Authors: | Roe, S.M, Pearl, L.H, Prodromou, C. | Deposit date: | 2005-05-04 | Release date: | 2005-09-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The identification, synthesis, protein crystal structure and in vitro biochemical evaluation of a new 3,4-diarylpyrazole class of Hsp90 inhibitors. Bioorg. Med. Chem. Lett., 15, 2005
|
|
2CGF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2cgf by Molmil](/molmil-images/mine/2cgf) | A RADICICOL ANALOGUE BOUND TO THE ATP BINDING SITE OF THE N-TERMINAL DOMAIN OF THE YEAST HSP90 CHAPERONE | Descriptor: | (5Z)-13-CHLORO-14,16-DIHYDROXY-3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-1,11(12H)-DIONE, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82 | Authors: | Roe, S.M, Prodromou, C, Pearl, L.H, Moody, C.J. | Deposit date: | 2006-03-02 | Release date: | 2006-11-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Inhibition of Hsp90 with Synthetic Macrolactones: Synthesis and Structural and Biological Evaluation of Ring and Conformational Analogs of Radicicol. Chem.Biol., 13, 2006
|
|
2AKP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2akp by Molmil](/molmil-images/mine/2akp) | Hsp90 Delta24-N210 mutant | Descriptor: | ATP-dependent molecular chaperone HSP82 | Authors: | Richter, K, Moser, S, Hagn, F, Friedrich, R, Hainzl, O, Heller, M, Schlee, S, Kessler, H, Reinstein, J, Buchner, J. | Deposit date: | 2005-08-03 | Release date: | 2006-01-31 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Intrinsic inhibition of the Hsp90 ATPase activity. J.Biol.Chem., 281, 2006
|
|
2YGA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2yga by Molmil](/molmil-images/mine/2yga) | 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: | 2024-05-01 | 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
|
|