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4CWP
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BU of 4cwp by Molmil
Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor
Descriptor: 5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazolin-2-amine, HEAT SHOCK PROTEIN HSP 90-ALPHA
Authors:Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F.
Deposit date:2014-04-03
Release date:2014-07-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors.
Bioorg.Med.Chem., 22, 2014
4CWR
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BU of 4cwr by Molmil
Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor
Descriptor: 5-(1,3-benzodioxol-5-ylmethyl)-10-fluoro[1,2,4]triazolo[1,5-c]quinazolin-2-amine, HEAT SHOCK PROTEIN HSP 90-ALPHA
Authors:Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F.
Deposit date:2014-04-03
Release date:2014-07-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors.
Bioorg.Med.Chem., 22, 2014
4CWS
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BU of 4cws by Molmil
Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor
Descriptor: 2-{[2-amino-5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazolin-8-yl]amino}ethanol, HEAT SHOCK PROTEIN HSP 90-ALPHA
Authors:Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F.
Deposit date:2014-04-03
Release date:2014-07-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors.
Bioorg.Med.Chem., 22, 2014
4CWF
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BU of 4cwf by Molmil
Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor
Descriptor: 5-propyl[1,2,4]triazolo[1,5-c]quinazolin-2-amine, HEAT SHOCK PROTEIN HSP 90-ALPHA
Authors:Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F.
Deposit date:2014-04-02
Release date:2014-07-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors.
Bioorg.Med.Chem., 22, 2014
4CWT
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BU of 4cwt by Molmil
Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor
Descriptor: 2-{[(2Z)-5-(1,3-benzodioxol-5-ylmethyl)-8-fluoro-2-imino-2,3-dihydro[1,2,4]triazolo[1,5-c]quinazolin-10-yl]amino}ethanol, HEAT SHOCK PROTEIN HSP 90-ALPHA
Authors:Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F.
Deposit date:2014-04-03
Release date:2014-07-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors.
Bioorg.Med.Chem., 22, 2014
4CWQ
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BU of 4cwq by Molmil
Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor
Descriptor: 2-amino-5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazoline-8-sulfonamide, HEAT SHOCK PROTEIN HSP 90-ALPHA
Authors:Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F.
Deposit date:2014-04-03
Release date:2014-07-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors.
Bioorg.Med.Chem., 22, 2014
4BQJ
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BU of 4bqj by Molmil
structure of HSP90 with an inhibitor bound
Descriptor: 5-[2,4-dihydroxy-6-(4-nitrophenoxy)phenyl]-N-ethyl-1,2-oxazole-3-carboxamide, HEAT SHOCK PROTEIN HSP 90-ALPHA
Authors:Casale, E, Brasca, M.G, Mantegani, S, Amboldi, N, Bindi, S, Caronni, D, Ceccarelli, W, Colombo, N, DePonti, A, Donati, D, Ermoli, A, Fachin, G, Felder, E.R, Ferguson, R.D, Fiorelli, C, Guanci, M, Isacchi, A, Pesenti, E, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Fogliatto, G.
Deposit date:2013-05-30
Release date:2013-10-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of Nms-E973 as Novel, Selective and Potent Inhibitor of Heat Shock Protein 90 (Hsp90).
Bioorg.Med.Chem., 21, 2013
4BQG
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BU of 4bqg by Molmil
structure of HSP90 with an inhibitor bound
Descriptor: 5-(3,4-dichloro-phenoxy)-benzene-1,3-diol, HSP90AA1 PROTEIN
Authors:Casale, E, Brasca, M.G, Mantegani, S, Amboldi, N, Bindi, S, Caronni, D, Ceccarelli, W, Colombo, N, DePonti, A, Donati, D, Ermoli, A, Fachin, G, Felder, E.R, Ferguson, R.D, Fiorelli, C, Guanci, M, Isacchi, A, Pesenti, E, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Fogliatto, G.
Deposit date:2013-05-30
Release date:2013-10-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of Nms-E973 as Novel, Selective and Potent Inhibitor of Heat Shock Protein 90 (Hsp90).
Bioorg.Med.Chem., 21, 2013
4CWN
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BU of 4cwn by Molmil
Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor
Descriptor: 5-(3,5-dimethoxybenzyl)[1,2,4]triazolo[1,5-c]quinazolin-2-amine, HEAT SHOCK PROTEIN HSP 90-ALPHA
Authors:Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F.
Deposit date:2014-04-03
Release date:2014-07-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors.
Bioorg.Med.Chem., 22, 2014
4CWO
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BU of 4cwo by Molmil
Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor
Descriptor: 5-(2-amino-[1,2,4]triazolo[1,5-c]quinazolin-5-ylmethyl)-benzene-1,3-diol, HEAT SHOCK PROTEIN HSP 90-ALPHA
Authors:Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F.
Deposit date:2014-04-03
Release date:2014-07-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors.
Bioorg.Med.Chem., 22, 2014
4B7P
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BU of 4b7p by Molmil
Structure of HSP90 with NMS-E973 inhibitor bound
Descriptor: 5-[2,4-dihydroxy-6-(4-nitrophenoxy)phenyl]-N-(1-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide, HEAT SHOCK PROTEIN HSP 90-ALPHA
Authors:Fogliatto, G, Gianellini, L, Brasca, M.G, Casale, E, Ballinari, D, Ciomei, M, Degrassi, A, De Ponti, A, Germani, M, Guanci, M, Paolucci, M, Polucci, P, Russo, M, Sola, F, Valsasina, B, Visco, C, Zuccotto, F, Donati, D, Felder, E, Galvani, A, Pesenti, E, Mantegani, S, Isacchi, A.
Deposit date:2012-08-21
Release date:2013-05-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Nms-E973, a Novel Synthetic Inhibitor of Hsp90 with Activity in Models of Drug Resistance to Targeted Agents, Including Intracranial Metastases.
Clin.Cancer Res., 19, 2013
6G2J
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BU of 6g2j by Molmil
Mouse mitochondrial complex I in the active state
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Agip, A.N.A, Blaza, J.N, Bridges, H.R, Viscomi, C, Rawson, S, Muench, S.P, Hirst, J.
Deposit date:2018-03-23
Release date:2018-06-06
Last modified:2025-04-09
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structures of complex I from mouse heart mitochondria in two biochemically defined states.
Nat. Struct. Mol. Biol., 25, 2018
6G72
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BU of 6g72 by Molmil
Mouse mitochondrial complex I in the deactive state
Descriptor: ACETYL GROUP, ADENOSINE-5'-DIPHOSPHATE, Acyl carrier protein, ...
Authors:Agip, A.N.A, Blaza, J.N, Bridges, H.R, Viscomi, C, Rawson, S, Muench, S.P, Hirst, J.
Deposit date:2018-04-04
Release date:2018-06-06
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Cryo-EM structures of complex I from mouse heart mitochondria in two biochemically defined states.
Nat. Struct. Mol. Biol., 25, 2018
7AK6
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BU of 7ak6 by Molmil
Cryo-EM structure of ND6-P25L mutant respiratory complex I from Mus musculus at 3.8 A
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Yin, Z, Bridges, H.R, Grba, D, Hirst, J.
Deposit date:2020-09-29
Release date:2021-02-03
Last modified:2025-04-09
Method:ELECTRON MICROSCOPY (3.82 Å)
Cite:Structural basis for a complex I mutation that blocks pathological ROS production.
Nat Commun, 12, 2021
7AK5
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BU of 7ak5 by Molmil
Cryo-EM structure of respiratory complex I in the deactive state from Mus musculus at 3.2 A
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Yin, Z, Bridges, H.R, Grba, D, Hirst, J.
Deposit date:2020-09-29
Release date:2021-02-03
Last modified:2025-04-09
Method:ELECTRON MICROSCOPY (3.17 Å)
Cite:Structural basis for a complex I mutation that blocks pathological ROS production.
Nat Commun, 12, 2021
9G74
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BU of 9g74 by Molmil
Mouse mitochondrial DNA polymerase gamma ternary complex in replication conformer
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (primer strand), ...
Authors:Valenzuela, S, Falkenberg, M.
Deposit date:2024-07-19
Release date:2025-06-04
Last modified:2025-07-09
Method:ELECTRON MICROSCOPY (2.75 Å)
Cite:Modelling POLG mutations in mice unravels a critical role of POL gamma Beta in regulating phenotypic severity.
Nat Commun, 16, 2025
9G77
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BU of 9g77 by Molmil
Mouse mitochondrial DNA polymerase gamma ternary complex in error-editing conformer (composite)
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (primer strand), ...
Authors:Valenzuela, S, Falkenberg, M.
Deposit date:2024-07-19
Release date:2025-06-04
Method:ELECTRON MICROSCOPY (2.87 Å)
Cite:Modelling POLG mutations in mice unravels a critical role of POL gamma Beta in regulating phenotypic severity.
Nat Commun, 16, 2025
9G75
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BU of 9g75 by Molmil
Mouse mitochondrial DNA polymerase gamma ternary complex in intermediate conformer
Descriptor: DNA (primer strand), DNA (template strand), DNA polymerase subunit gamma-1, ...
Authors:Valenzuela, S, Falkenberg, M.
Deposit date:2024-07-19
Release date:2025-06-04
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Modelling POLG mutations in mice unravels a critical role of POL gamma Beta in regulating phenotypic severity.
Nat Commun, 16, 2025
9IBZ
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BU of 9ibz by Molmil
Chimeric mitochondrial DNA polymerase gamma ternary complex (mAhB) in human-like error-editing conformer (composite)
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (primer strand), ...
Authors:Valenzuela, S, Falkenberg, M.
Deposit date:2025-02-14
Release date:2025-06-04
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite:Modelling POLG mutations in mice unravels a critical role of POL gamma Beta in regulating phenotypic severity.
Nat Commun, 16, 2025
9IC1
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BU of 9ic1 by Molmil
Chimeric mitochondrial DNA polymerase gamma ternary complex (hAmB) in replication conformer
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (primer strand), ...
Authors:Valenzuela, S, Falkenberg, M.
Deposit date:2025-02-14
Release date:2025-06-04
Method:ELECTRON MICROSCOPY (2.73 Å)
Cite:Modelling POLG mutations in mice unravels a critical role of POL gamma Beta in regulating phenotypic severity.
Nat Commun, 16, 2025
9IC0
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BU of 9ic0 by Molmil
Chimeric mitochondrial DNA polymerase gamma ternary complex (mAhB) in mouse-like error-editing conformer (composite)
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (primer strand), ...
Authors:Valenzuela, S, Falkenberg, M.
Deposit date:2025-02-14
Release date:2025-06-04
Method:ELECTRON MICROSCOPY (3.24 Å)
Cite:Modelling POLG mutations in mice unravels a critical role of POL gamma Beta in regulating phenotypic severity.
Nat Commun, 16, 2025
9IBX
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BU of 9ibx by Molmil
Chimeric mitochondrial DNA polymerase gamma ternary complex (mAhB) in replication conformer
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (primer strand), ...
Authors:Valenzuela, S, Falkenberg, M.
Deposit date:2025-02-14
Release date:2025-06-04
Method:ELECTRON MICROSCOPY (2.54 Å)
Cite:Modelling POLG mutations in mice unravels a critical role of POL gamma Beta in regulating phenotypic severity.
Nat Commun, 16, 2025
9IC3
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BU of 9ic3 by Molmil
Chimeric mitochondrial DNA polymerase gamma ternary complex (hAmB) in mouse-like error-editing conformer (composite)
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (primer strand), ...
Authors:Valenzuela, S, Falkenberg, M.
Deposit date:2025-02-14
Release date:2025-06-04
Method:ELECTRON MICROSCOPY (2.96 Å)
Cite:Modelling POLG mutations in mice unravels a critical role of POL gamma Beta in regulating phenotypic severity.
Nat Commun, 16, 2025

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PDB entries from 2025-07-09

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