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PDB: 24 件
7U8V
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hTRAP1 with inhibitors
分子名称: (4-hydroxy-1,3-phenylene)bis[(2H-isoindol-2-yl)methanone], Heat shock protein 75 kDa, mitochondrial
著者Deng, J, Matts, R, Peng, S.
登録日2022-03-09
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.448 Å)
主引用文献Elucidation of novel TRAP1-Selective inhibitors that regulate mitochondrial processes.
Eur.J.Med.Chem., 258, 2023
7C7B
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BU of 7c7b by Molmil
Crystal structure of human TRAP1 with SJT009
分子名称: 2-azanyl-9-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-6-chloranyl-purin-8-ol, Heat shock protein 75 kDa, mitochondrial
著者Kim, D, Yang, S, Yoon, N.G, Park, E, Kim, S.Y, Kang, B.H, Lee, C, Kang, S.
登録日2020-05-24
公開日2021-05-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Design and Synthesis of TRAP1 Selective Inhibitors: H-Bonding with Asn171 Residue in TRAP1 Increases Paralog Selectivity.
Acs Med.Chem.Lett., 12, 2021
7U8X
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BU of 7u8x by Molmil
hTRAP1 with inhibitors
分子名称: Heat shock protein 75 kDa, mitochondrial, [5-(4-fluoro-2H-isoindole-2-carbonyl)-2-hydroxyphenyl](5-methoxy-2H-isoindol-2-yl)methanone
著者Deng, J, Matts, R, Peng, S.
登録日2022-03-09
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Elucidation of novel TRAP1-Selective inhibitors that regulate mitochondrial processes.
Eur.J.Med.Chem., 258, 2023
7C04
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Crystal structure of human Trap1 with DN203492
分子名称: 4-chloranyl-1-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine, Heat shock protein 75 kDa, mitochondrial
著者Kim, D, Kim, D, Kim, S.Y, Lee, J.H, Kang, B.H, Kang, S, Lee, C.
登録日2020-04-30
公開日2020-07-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献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
7U8W
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BU of 7u8w by Molmil
hTRAP1 with inhibitors
分子名称: Heat shock protein 75 kDa, mitochondrial, [5-(4-fluoro-2H-isoindole-2-carbonyl)-2-hydroxyphenyl](5-fluoro-2H-isoindol-2-yl)methanone
著者Deng, J, Matts, R, Peng, S.
登録日2022-03-09
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.706 Å)
主引用文献Elucidation of novel TRAP1-Selective inhibitors that regulate mitochondrial processes.
Eur.J.Med.Chem., 258, 2023
5F3K
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BU of 5f3k by Molmil
X-Ray Crystallographic Structure of hTrap1 N-terminal Domain-apo
分子名称: Heat shock protein 75 kDa, mitochondrial
著者Sung, N, Lee, J, Kim, J, Chang, C, Joachimiak, A, Lee, S, Tsai, F.T.F.
登録日2015-12-02
公開日2016-03-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Mitochondrial Hsp90 is a ligand-activated molecular chaperone coupling ATP binding to dimer closure through a coiled-coil intermediate.
Proc.Natl.Acad.Sci.USA, 113, 2016
5F5R
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BU of 5f5r by Molmil
TRAP1N-ADPNP
分子名称: Heat shock protein 75 kDa, mitochondrial, MAGNESIUM ION, ...
著者Tsai, F.T.F, Lee, S, Sung, N, Lee, J, Chang, C, Joachimiak, A.
登録日2015-12-04
公開日2016-03-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Mitochondrial Hsp90 is a ligand-activated molecular chaperone coupling ATP binding to dimer closure through a coiled-coil intermediate.
Proc.Natl.Acad.Sci.USA, 113, 2016
7ULK
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Human TRAP1 NM in complex with 42C
分子名称: CALCIUM ION, Heat shock protein 75 kDa, mitochondrial, ...
著者Stachowski, T.R, Nithianantham, S, Vanarotti, M, Fischer, M.
登録日2022-04-05
公開日2023-04-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Pan-HSP90 ligand binding reveals isoform-specific differences in plasticity and water networks.
Protein Sci., 32, 2023
5Y3N
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Structure of TRAP1 complexed with DN401
分子名称: 1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-4-chloranyl-pyrazolo[3,4-d]pyrimidin-6-amine, Heat shock protein 75 kDa, mitochondrial
著者Jeong, H, Park, H.K, Kang, S, Kang, B.H, Lee, C.
登録日2017-07-29
公開日2017-08-30
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Paralog Specificity Determines Subcellular Distribution, Action Mechanism, and Anticancer Activity of TRAP1 Inhibitors.
J. Med. Chem., 60, 2017
5HPH
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Structure of TRAP1 fragment
分子名称: GLYCEROL, Heat shock protein 75 kDa, mitochondrial, ...
著者Sung, N, Chang, C, Lee, S, Tsai, F.T.F.
登録日2016-01-20
公開日2016-08-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.429 Å)
主引用文献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
分子名称: 1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-4-chloranyl-pyrazolo[3,4-d]pyrimidin-6-amine, Heat shock protein 75 kDa, mitochondrial
著者Kim, D, Kim, D, Kim, S.Y, Lee, J.H, Kang, B.H, Kang, S, Lee, C.
登録日2020-04-30
公開日2020-07-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献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
5Y3O
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Structure of TRAP1 complexed with DN320
分子名称: 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
著者Jeong, H, Park, H.K, Kang, S, Kang, B.H, Lee, C.
登録日2017-07-29
公開日2017-08-30
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Paralog Specificity Determines Subcellular Distribution, Action Mechanism, and Anticancer Activity of TRAP1 Inhibitors.
J. Med. Chem., 60, 2017
4Z1F
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BU of 4z1f by Molmil
Crystal structure of human Trap1 with PU-H71
分子名称: 8-[(6-IODO-1,3-BENZODIOXOL-5-YL)THIO]-9-[3-(ISOPROPYLAMINO)PROPYL]-9H-PURIN-6-AMINE, Heat shock protein 75 kDa, mitochondrial
著者Lee, C, Park, H.K, Ryu, J.H, Kang, B.H.
登録日2015-03-27
公開日2015-04-22
実験手法X-RAY DIFFRACTION (2.703 Å)
主引用文献Development of a Mitochondria-Targeted Hsp90 Inhibitor Based on the Crystal Structures of Human TRAP1
J.Am.Chem.Soc., 137, 2015
4Z1H
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Crystal structure of human Trap1 with SMTIN-P01
分子名称: 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
著者Lee, C, Park, H.K, Ryu, J.H, Kang, B.H.
登録日2015-03-27
公開日2015-04-22
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Development of a Mitochondria-Targeted Hsp90 Inhibitor Based on the Crystal Structures of Human TRAP1
J.Am.Chem.Soc., 137, 2015
7C7C
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BU of 7c7c by Molmil
Crystal structure of human TRAP1 with SJT104
分子名称: 2-azanyl-9-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-6-chloranyl-purin-8-ol, Heat shock protein 75 kDa, mitochondrial
著者Kim, D, Yang, S, Yoon, N.G, Park, E, Kim, S.Y, Kang, B.H, Lee, C, Kang, S.
登録日2020-05-24
公開日2021-05-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Design and Synthesis of TRAP1 Selective Inhibitors: H-Bonding with Asn171 Residue in TRAP1 Increases Paralog Selectivity.
Acs Med.Chem.Lett., 12, 2021
7U8U
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BU of 7u8u by Molmil
hTRAP1 with inhibitors
分子名称: Heat shock protein 75 kDa, mitochondrial, [2-hydroxy-5-(2H-isoindole-2-carbonyl)phenyl]{5-[3-(triphenyl-lambda~5~-phosphanyl)propoxy]-2H-isoindol-2-yl}methanone
著者Deng, J, Matts, R, Peng, S.
登録日2022-03-09
公開日2023-08-16
実験手法X-RAY DIFFRACTION (3.065 Å)
主引用文献Elucidation of novel TRAP1-Selective inhibitors that regulate mitochondrial processes.
Eur.J.Med.Chem., 258, 2023
4Z1G
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BU of 4z1g by Molmil
Crystal structure of human Trap1 with BIIB-021
分子名称: 6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine, Heat shock protein 75 kDa, mitochondrial
著者Lee, C, Park, H.K, Ryu, J.H, Kang, B.H.
登録日2015-03-27
公開日2015-04-22
最終更新日2022-10-05
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Development of a Mitochondria-Targeted Hsp90 Inhibitor Based on the Crystal Structures of Human TRAP1
J.Am.Chem.Soc., 137, 2015
7KLV
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BU of 7klv by Molmil
Full-length human mitochondrial Hsp90 (TRAP1) SpyCatcher/SpyTag-SdhB heterodimer in the presence of AMP-PNP
分子名称: Heat shock protein 75 kDa, mitochondrial, SpyCatcher, ...
著者Liu, Y.X, Agard, D.A.
登録日2020-11-01
公開日2021-11-03
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Cryo-EM analysis of human mitochondrial Hsp90 in multiple tetrameric states
To Be Published
7KCL
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BU of 7kcl by Molmil
Full-length human mitochondrial Hsp90 (TRAP1) in complex with SdhB in the presence of AMP-PNP
分子名称: Heat shock protein 75 kDa, mitochondrial, MAGNESIUM ION, ...
著者Liu, Y.X, Agard, D.A.
登録日2020-10-06
公開日2021-10-13
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.14 Å)
主引用文献Cryo-EM reveals the dynamic interplay between mitochondrial Hsp90 and SdhB folding intermediates
To Be Published
6XG6
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BU of 6xg6 by Molmil
Full-length human mitochondrial Hsp90 (TRAP1) with ADP-BeF3
分子名称: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Heat shock protein 75 kDa, ...
著者Liu, Y.X, Wang, F, Agard, D.A.
登録日2020-06-17
公開日2020-09-30
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献General and robust covalently linked graphene oxide affinity grids for high-resolution cryo-EM.
Proc.Natl.Acad.Sci.USA, 117, 2020
7KCK
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BU of 7kck by Molmil
Full-length human mitochondrial Hsp90 (TRAP1) with AMP-PNP
分子名称: Heat shock protein 75 kDa, mitochondrial, MAGNESIUM ION, ...
著者Liu, Y.X, Agard, D.A.
登録日2020-10-06
公開日2021-10-13
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.26 Å)
主引用文献Cryo-EM reveals the dynamic interplay between mitochondrial Hsp90 and SdhB folding intermediates
To Be Published
4Z1I
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BU of 4z1i by Molmil
Crystal structure of human Trap1 with AMPPNP
分子名称: Heat shock protein 75 kDa, mitochondrial, MAGNESIUM ION, ...
著者Lee, C, Park, H.K, Ryu, J.H, Kang, B.H.
登録日2015-03-27
公開日2015-04-29
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Development of a Mitochondria-Targeted Hsp90 Inhibitor Based on the Crystal Structures of Human TRAP1
J.Am.Chem.Soc., 137, 2015
7KCM
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BU of 7kcm by Molmil
Full-length human mitochondrial Hsp90 (TRAP1) in complex with SdhB in the presence of AMP-PNP
分子名称: FE2/S2 (INORGANIC) CLUSTER, Heat shock protein 75 kDa, mitochondrial, ...
著者Liu, Y.X, Agard, D.A.
登録日2020-10-06
公開日2021-10-13
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.43 Å)
主引用文献Cryo-EM reveals the dynamic interplay between mitochondrial Hsp90 and SdhB folding intermediates
To Be Published
7KLU
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BU of 7klu by Molmil
Tetrameric human mitochondrial Hsp90 (TRAP1) in the presence of AMP-PNP
分子名称: Heat shock protein 75 kDa, mitochondrial, SpyCatcher, ...
著者Liu, Y.X, Agard, D.A.
登録日2020-11-01
公開日2021-11-03
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM analysis of human mitochondrial Hsp90 in multiple tetrameric states
To Be Published

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件を2024-07-10に公開中

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