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1HK7
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BU of 1hk7 by Molmil
Middle Domain of HSP90
Descriptor: CADMIUM ION, HEAT SHOCK PROTEIN HSP82, MAGNESIUM ION
Authors:Meyer, P, Prodromou, C, Roe, S.M, Pearl, L.H.
Deposit date:2003-03-06
Release date:2004-01-29
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and Functional Analysis of the Middle Segment of Hsp90. Implications for ATP Hydrolysis and Client Protein and Cochaperone Interactions
Mol.Cell, 11, 2003
6KSQ
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BU of 6ksq by Molmil
Middle Domain of Human HSP90 Alpha
Descriptor: Heat shock protein HSP 90-alpha
Authors:Su, H.X, Zhou, C, Zhang, N.X, Xu, Y.C.
Deposit date:2019-08-25
Release date:2020-02-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.202 Å)
Cite:Allosteric Regulation of Hsp90 alpha's Activity by Small Molecules Targeting the Middle Domain of the Chaperone.
Iscience, 23, 2020
5HPH
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Structure of TRAP1 fragment
Descriptor: GLYCEROL, Heat shock protein 75 kDa, mitochondrial, ...
Authors:Sung, N, Chang, C, Lee, S, Tsai, F.T.F.
Deposit date:2016-01-20
Release date:2016-08-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.429 Å)
Cite:2.4 angstrom resolution crystal structure of human TRAP1NM, the Hsp90 paralog in the mitochondrial matrix.
Acta Crystallogr D Struct Biol, 72, 2016
7C05
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Crystal structure of human Trap1 with DN203495
Descriptor: 1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-4-chloranyl-pyrazolo[3,4-d]pyrimidin-6-amine, Heat shock protein 75 kDa, mitochondrial
Authors:Kim, D, Kim, D, Kim, S.Y, Lee, J.H, Kang, B.H, Kang, S, Lee, C.
Deposit date:2020-04-30
Release date:2020-07-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Development of pyrazolo[3,4-d]pyrimidine-6-amine-based TRAP1 inhibitors that demonstrate in vivo anticancer activity in mouse xenograft models.
Bioorg.Chem., 101, 2020
7C7C
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Crystal structure of human TRAP1 with SJT104
Descriptor: 2-azanyl-9-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-6-chloranyl-purin-8-ol, Heat shock protein 75 kDa, mitochondrial
Authors:Kim, D, Yang, S, Yoon, N.G, Park, E, Kim, S.Y, Kang, B.H, Lee, C, Kang, S.
Deposit date:2020-05-24
Release date:2021-05-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Design and Synthesis of TRAP1 Selective Inhibitors: H-Bonding with Asn171 Residue in TRAP1 Increases Paralog Selectivity.
Acs Med.Chem.Lett., 12, 2021
5Y3N
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Structure of TRAP1 complexed with DN401
Descriptor: 1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-4-chloranyl-pyrazolo[3,4-d]pyrimidin-6-amine, Heat shock protein 75 kDa, mitochondrial
Authors:Jeong, H, Park, H.K, Kang, S, Kang, B.H, Lee, C.
Deposit date:2017-07-29
Release date:2017-08-30
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Paralog Specificity Determines Subcellular Distribution, Action Mechanism, and Anticancer Activity of TRAP1 Inhibitors.
J. Med. Chem., 60, 2017
5Y3O
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Structure of TRAP1 complexed with DN320
Descriptor: 4-chloranyl-1-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine, Heat shock protein 75 kDa, mitochondrial
Authors:Jeong, H, Park, H.K, Kang, S, Kang, B.H, Lee, C.
Deposit date:2017-07-29
Release date:2017-08-30
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Paralog Specificity Determines Subcellular Distribution, Action Mechanism, and Anticancer Activity of TRAP1 Inhibitors.
J. Med. Chem., 60, 2017
3HJC
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BU of 3hjc by Molmil
Crystal structure of the carboxy-terminal domain of HSP90 from Leishmania major, LmjF33.0312
Descriptor: Heat shock protein 83-1, SULFATE ION
Authors:Wernimont, A.K, Tempel, W, Walker, J, Lin, Y.H, Hutchinson, A, Mackenzie, F, Fairlamb, A, Kozieradzki, I, Cossar, D, Zhao, Y, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Ferguson, M.A.J, Hui, R, Pizarro, J.C, Hills, T, Structural Genomics Consortium (SGC)
Deposit date:2009-05-21
Release date:2009-06-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of the middle and carboxy-terminal domain of HSP90 from Leishmania major, LMJF33.0312
To be Published
8OXU
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BU of 8oxu by Molmil
Crystal Structure of the Hsp90-LA1011 Complex
Descriptor: ATP-dependent molecular chaperone HSP82, dimethyl 2,6-bis[2-(dimethylamino)ethyl]-1-methyl-4-[4-(trifluoromethyl)phenyl]-4~{H}-pyridine-3,5-dicarboxylate
Authors:Roe, S.M, Prodromou, C.
Deposit date:2023-05-02
Release date:2023-07-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:The Crystal Structure of the Hsp90-LA1011 Complex and the Mechanism by Which LA1011 May Improve the Prognosis of Alzheimer's Disease.
Biomolecules, 13, 2023
2CGE
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BU of 2cge by Molmil
Crystal structure of an Hsp90-Sba1 closed chaperone complex
Descriptor: ATP-DEPENDENT MOLECULAR CHAPERONE HSP82
Authors:Ali, M.M.U, Roe, S.M, Prodromou, C, Pearl, L.H.
Deposit date:2006-03-01
Release date:2006-04-12
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal Structure of an Hsp90-Nucleotide-P23/Sba1 Closed Chaperone Complex
Nature, 440, 2006
7RY1
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BU of 7ry1 by Molmil
human Hsp90_MC domain structure
Descriptor: Heat shock protein HSP 90-alpha, N-[2-(1-MALEIMIDYL)ETHYL]-7-DIETHYLAMINOCOUMARIN-3-CARBOXAMIDE
Authors:Peng, S, Deng, J, Matts, R.
Deposit date:2021-08-24
Release date:2022-05-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.523 Å)
Cite:Crystal structure of the middle and C-terminal domains of Hsp90 alpha labeled with a coumarin derivative reveals a potential allosteric binding site as a drug target.
Acta Crystallogr D Struct Biol, 78, 2022
7RY0
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BU of 7ry0 by Molmil
human Hsp90_MC domain structure
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, Heat shock protein HSP 90-alpha
Authors:Peng, S, Deng, J, Matts, R.
Deposit date:2021-08-24
Release date:2022-12-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis of the key residue W320 responsible for Hsp90 conformational change.
J.Biomol.Struct.Dyn., 2022
7RXZ
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BU of 7rxz by Molmil
human Hsp90_MC domain structure
Descriptor: Heat shock protein HSP 90-alpha
Authors:Peng, S, Deng, J, Matts, R.
Deposit date:2021-08-24
Release date:2022-12-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.152 Å)
Cite:Structural basis of the key residue W320 responsible for Hsp90 conformational change.
J.Biomol.Struct.Dyn., 2022
2GQ0
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BU of 2gq0 by Molmil
Crystal Structure of the Middle Domain of HtpG, the E. coli Hsp90
Descriptor: Chaperone protein htpG
Authors:Harris, S.F, Shiau, A.K, Agard, D.A.
Deposit date:2006-04-19
Release date:2006-10-31
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Analysis of E. coli hsp90 reveals dramatic nucleotide-dependent conformational rearrangements.
Cell(Cambridge,Mass.), 127, 2006
3PRY
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BU of 3pry by Molmil
Crystal structure of the middle domain of human HSP90-beta refined at 2.3 A resolution
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Heat shock protein HSP 90-beta, ...
Authors:Chaikuad, A, Pilka, E, Sharpe, T.D, Cooper, C.D.O, Phillips, C, Berridge, G, Ayinampudi, V, Fedorov, O, Keates, T, Thangaratnarajah, C, Zimmermann, T, Vollmar, M, Yue, W.W, Che, K.H, Krojer, T, Muniz, J.R.C, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bullock, A, Structural Genomics Consortium (SGC)
Deposit date:2010-11-30
Release date:2010-12-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Crystal structure of the middle domain of human HSP90-beta refined at 2.3 A resolution
To be Published
3Q6N
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BU of 3q6n by Molmil
Crystal Structure of Human MC-HSP90 in P21 space group
Descriptor: Heat shock protein HSP 90-alpha, SULFATE ION
Authors:Lee, C.C, Lin, T.W, Ko, T.P, Wang, A.H.-J.
Deposit date:2011-01-03
Release date:2011-06-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:The hexameric structures of human heat shock protein 90
Plos One, 6, 2011
3Q6M
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BU of 3q6m by Molmil
Crystal Structure of Human MC-HSP90 in C2221 Space Group
Descriptor: Heat shock protein HSP 90-alpha, SULFATE ION
Authors:Lee, C.C, Lin, T.W, Ko, T.P, Wang, A.H.-J.
Deposit date:2011-01-03
Release date:2011-06-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:The hexameric structures of human heat shock protein 90
Plos One, 6, 2011
2O1T
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BU of 2o1t by Molmil
Structure of Middle plus C-terminal domains (M+C) of GRP94
Descriptor: Endoplasmin
Authors:Dollins, D.E, Warren, J.J, Immormino, R.M, Gewirth, D.T.
Deposit date:2006-11-29
Release date:2007-10-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structures of GRP94-Nucleotide Complexes Reveal Mechanistic Differences between the hsp90 Chaperones.
Mol.Cell, 28, 2007
4Z1H
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BU of 4z1h by Molmil
Crystal structure of human Trap1 with SMTIN-P01
Descriptor: 8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]-9-[6-(triphenyl-lambda~5~-phosphanyl)hexyl]-9H-purin-6-amine, Heat shock protein 75 kDa, mitochondrial
Authors:Lee, C, Park, H.K, Ryu, J.H, Kang, B.H.
Deposit date:2015-03-27
Release date:2015-04-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Development of a Mitochondria-Targeted Hsp90 Inhibitor Based on the Crystal Structures of Human TRAP1
J.Am.Chem.Soc., 137, 2015
4Z1I
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Crystal structure of human Trap1 with AMPPNP
Descriptor: Heat shock protein 75 kDa, mitochondrial, MAGNESIUM ION, ...
Authors:Lee, C, Park, H.K, Ryu, J.H, Kang, B.H.
Deposit date:2015-03-27
Release date:2015-04-29
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Development of a Mitochondria-Targeted Hsp90 Inhibitor Based on the Crystal Structures of Human TRAP1
J.Am.Chem.Soc., 137, 2015
4Z1G
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BU of 4z1g by Molmil
Crystal structure of human Trap1 with BIIB-021
Descriptor: 6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine, Heat shock protein 75 kDa, mitochondrial
Authors:Lee, C, Park, H.K, Ryu, J.H, Kang, B.H.
Deposit date:2015-03-27
Release date:2015-04-22
Last modified:2022-10-05
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Development of a Mitochondria-Targeted Hsp90 Inhibitor Based on the Crystal Structures of Human TRAP1
J.Am.Chem.Soc., 137, 2015
4Z1F
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BU of 4z1f by Molmil
Crystal structure of human Trap1 with PU-H71
Descriptor: 8-[(6-IODO-1,3-BENZODIOXOL-5-YL)THIO]-9-[3-(ISOPROPYLAMINO)PROPYL]-9H-PURIN-6-AMINE, Heat shock protein 75 kDa, mitochondrial
Authors:Lee, C, Park, H.K, Ryu, J.H, Kang, B.H.
Deposit date:2015-03-27
Release date:2015-04-22
Method:X-RAY DIFFRACTION (2.703 Å)
Cite:Development of a Mitochondria-Targeted Hsp90 Inhibitor Based on the Crystal Structures of Human TRAP1
J.Am.Chem.Soc., 137, 2015
1Y6Z
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BU of 1y6z by Molmil
Middle domain of Plasmodium falciparum putative heat shock protein PF14_0417
Descriptor: heat shock protein, putative
Authors:Lunin, V.V, Botchkareva, E, Loppnau, P, Amani, M, Bray, J, Vedadi, M, Edwards, A, Arrowsmith, C, Sundstrom, M, Bochkarev, A, Hui, R, Plotnikova, O, Structural Genomics Consortium (SGC)
Deposit date:2004-12-07
Release date:2005-02-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
7U8X
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BU of 7u8x by Molmil
hTRAP1 with inhibitors
Descriptor: Heat shock protein 75 kDa, mitochondrial, [5-(4-fluoro-2H-isoindole-2-carbonyl)-2-hydroxyphenyl](5-methoxy-2H-isoindol-2-yl)methanone
Authors:Deng, J, Matts, R, Peng, S.
Deposit date:2022-03-09
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Elucidation of novel TRAP1-Selective inhibitors that regulate mitochondrial processes.
Eur.J.Med.Chem., 258, 2023
7U8W
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BU of 7u8w by Molmil
hTRAP1 with inhibitors
Descriptor: Heat shock protein 75 kDa, mitochondrial, [5-(4-fluoro-2H-isoindole-2-carbonyl)-2-hydroxyphenyl](5-fluoro-2H-isoindol-2-yl)methanone
Authors:Deng, J, Matts, R, Peng, S.
Deposit date:2022-03-09
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.706 Å)
Cite:Elucidation of novel TRAP1-Selective inhibitors that regulate mitochondrial processes.
Eur.J.Med.Chem., 258, 2023

 

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