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PDB: 306 results

7HAC
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BU of 7hac by Molmil
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13324
Descriptor: 3-(4-tert-butylphenyl)-3-oxopropanamide, Heat shock protein HSP 90-alpha
Authors:Huang, L, Wang, W, Zhu, Z, Li, Q, Li, M, Zhou, H, Xu, Q, Wen, W, Wang, Q, Yu, F.
Deposit date:2024-07-10
Release date:2025-03-26
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Iucrj, 12, 2025
7HAY
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BU of 7hay by Molmil
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr14271
Descriptor: Heat shock protein HSP 90-alpha, N-(2-{[(4-chlorophenyl)methyl]sulfanyl}ethyl)furan-2-carboxamide
Authors:Huang, L, Wang, W, Zhu, Z, Li, Q, Li, M, Zhou, H, Xu, Q, Wen, W, Wang, Q, Yu, F.
Deposit date:2024-07-10
Release date:2025-03-26
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Iucrj, 12, 2025
7HAA
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BU of 7haa by Molmil
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13279
Descriptor: Heat shock protein HSP 90-alpha, N-(5-chloro-2-methoxyphenyl)thiourea
Authors:Huang, L, Wang, W, Zhu, Z, Li, Q, Li, M, Zhou, H, Xu, Q, Wen, W, Wang, Q, Yu, F.
Deposit date:2024-07-10
Release date:2025-03-26
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Iucrj, 12, 2025
7HA1
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BU of 7ha1 by Molmil
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with FL0092
Descriptor: 5-bromo-3,3-dimethyl-1,3-dihydro-2H-indol-2-one, Heat shock protein HSP 90-alpha
Authors:Huang, L, Wang, W, Zhu, Z, Li, Q, Li, M, Zhou, H, Xu, Q, Wen, W, Wang, Q, Yu, F.
Deposit date:2024-07-10
Release date:2025-03-26
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Iucrj, 12, 2025
7HAF
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BU of 7haf by Molmil
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13854
Descriptor: (2M)-2-(1H-imidazol-1-yl)benzonitrile, Heat shock protein HSP 90-alpha
Authors:Huang, L, Wang, W, Zhu, Z, Li, Q, Li, M, Zhou, H, Xu, Q, Wen, W, Wang, Q, Yu, F.
Deposit date:2024-07-10
Release date:2025-03-26
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Iucrj, 12, 2025
7HB4
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BU of 7hb4 by Molmil
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr14472
Descriptor: Heat shock protein HSP 90-alpha, N-(3-methylphenyl)thiourea
Authors:Huang, L, Wang, W, Zhu, Z, Li, Q, Li, M, Zhou, H, Xu, Q, Wen, W, Wang, Q, Yu, F.
Deposit date:2024-07-10
Release date:2025-03-26
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Iucrj, 12, 2025
7HA8
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BU of 7ha8 by Molmil
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr14439
Descriptor: Heat shock protein HSP 90-alpha, N-[(1R,2S,4R)-bicyclo[2.2.1]heptan-2-yl]-N'-[2-(pyridin-2-yl)ethyl]thiourea
Authors:Huang, L, Wang, W, Zhu, Z, Li, Q, Li, M, Zhou, H, Xu, Q, Wen, W, Wang, Q, Yu, F.
Deposit date:2024-07-10
Release date:2025-03-26
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Iucrj, 12, 2025
7HAE
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BU of 7hae by Molmil
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13215
Descriptor: Heat shock protein HSP 90-alpha, N-[(1R,2R,4S)-bicyclo[2.2.1]hept-5-en-2-yl]-N'-(2-hydroxyethyl)thiourea
Authors:Huang, L, Wang, W, Zhu, Z, Li, Q, Li, M, Zhou, H, Xu, Q, Wen, W, Wang, Q, Yu, F.
Deposit date:2024-07-10
Release date:2025-03-26
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Iucrj, 12, 2025
7HAL
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BU of 7hal by Molmil
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12580
Descriptor: 2-(piperidin-1-yl)pyridine-4-carbonitrile, Heat shock protein HSP 90-alpha
Authors:Huang, L, Wang, W, Zhu, Z, Li, Q, Li, M, Zhou, H, Xu, Q, Wen, W, Wang, Q, Yu, F.
Deposit date:2024-07-10
Release date:2025-03-26
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Iucrj, 12, 2025
7HAQ
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BU of 7haq by Molmil
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13428
Descriptor: 2-phenyl-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one, Heat shock protein HSP 90-alpha
Authors:Huang, L, Wang, W, Zhu, Z, Li, Q, Li, M, Zhou, H, Xu, Q, Wen, W, Wang, Q, Yu, F.
Deposit date:2024-07-10
Release date:2025-03-26
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Iucrj, 12, 2025
7HBH
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BU of 7hbh by Molmil
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13518
Descriptor: (5-tert-butylthiophen-2-yl)(pyrrolidin-1-yl)methanone, Heat shock protein HSP 90-alpha
Authors:Huang, L, Wang, W, Zhu, Z, Li, Q, Li, M, Zhou, H, Xu, Q, Wen, W, Wang, Q, Yu, F.
Deposit date:2024-07-10
Release date:2025-03-26
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Iucrj, 12, 2025
7HBP
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BU of 7hbp by Molmil
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13188
Descriptor: Heat shock protein HSP 90-alpha, N-(3,4-difluorophenyl)cyclobutanecarboxamide
Authors:Huang, L, Wang, W, Zhu, Z, Li, Q, Li, M, Zhou, H, Xu, Q, Wen, W, Wang, Q, Yu, F.
Deposit date:2024-07-10
Release date:2025-03-26
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Iucrj, 12, 2025
7HA9
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BU of 7ha9 by Molmil
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13551
Descriptor: Heat shock protein HSP 90-alpha, N-[(1R,2S,4R)-bicyclo[2.2.1]heptan-2-yl]-N'-[(2S)-1-hydroxybutan-2-yl]thiourea
Authors:Huang, L, Wang, W, Zhu, Z, Li, Q, Li, M, Zhou, H, Xu, Q, Wen, W, Wang, Q, Yu, F.
Deposit date:2024-07-10
Release date:2025-03-26
Method:X-RAY DIFFRACTION (2 Å)
Cite:Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Iucrj, 12, 2025
7HAS
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BU of 7has by Molmil
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12355
Descriptor: Heat shock protein HSP 90-alpha, [6-(pyrrolidin-1-yl)pyridin-2-yl]methanol
Authors:Huang, L, Wang, W, Zhu, Z, Li, Q, Li, M, Zhou, H, Xu, Q, Wen, W, Wang, Q, Yu, F.
Deposit date:2024-07-10
Release date:2025-03-26
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Iucrj, 12, 2025
7HAW
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BU of 7haw by Molmil
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12961
Descriptor: Heat shock protein HSP 90-alpha, N-(2,4-difluorophenyl)-N'-methylthiourea
Authors:Huang, L, Wang, W, Zhu, Z, Li, Q, Li, M, Zhou, H, Xu, Q, Wen, W, Wang, Q, Yu, F.
Deposit date:2024-07-10
Release date:2025-03-26
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Iucrj, 12, 2025
7HBS
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BU of 7hbs by Molmil
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with 10X-0806
Descriptor: (5P)-2-chloro-5-(1,3-oxazol-5-yl)pyridine, Heat shock protein HSP 90-alpha
Authors:Huang, L, Wang, W, Zhu, Z, Li, Q, Li, M, Zhou, H, Xu, Q, Wen, W, Wang, Q, Yu, F.
Deposit date:2024-07-10
Release date:2025-03-26
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Iucrj, 12, 2025
7HAJ
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BU of 7haj by Molmil
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with PS-4122
Descriptor: 1-methyl-1H-indole-6-carboxylic acid, Heat shock protein HSP 90-alpha
Authors:Huang, L, Wang, W, Zhu, Z, Li, Q, Li, M, Zhou, H, Xu, Q, Wen, W, Wang, Q, Yu, F.
Deposit date:2024-07-10
Release date:2025-03-26
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Iucrj, 12, 2025
7HC3
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BU of 7hc3 by Molmil
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with 3T-0629
Descriptor: 2,3-dimethylpyrido[2,3-b]pyrazine, Heat shock protein HSP 90-alpha
Authors:Huang, L, Wang, W, Zhu, Z, Li, Q, Li, M, Zhou, H, Xu, Q, Wen, W, Wang, Q, Yu, F.
Deposit date:2024-07-10
Release date:2025-03-26
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Iucrj, 12, 2025
7H9M
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BU of 7h9m by Molmil
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13527
Descriptor: (1m)-1-(2,4-difluorophenyl)-4-methylpiperidine-2,6-dione, Heat shock protein HSP 90-alpha
Authors:Huang, L, Wang, W, Zhu, Z, Li, Q, Li, M, Zhou, H, Xu, Q, Wen, W, Wang, Q, Yu, F.
Deposit date:2024-07-10
Release date:2025-03-26
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Iucrj, 12, 2025
7HAX
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BU of 7hax by Molmil
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13909
Descriptor: (3aR,7aS)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione, Heat shock protein HSP 90-alpha
Authors:Huang, L, Wang, W, Zhu, Z, Li, Q, Li, M, Zhou, H, Xu, Q, Wen, W, Wang, Q, Yu, F.
Deposit date:2024-07-10
Release date:2025-03-26
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Iucrj, 12, 2025
7H9N
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BU of 7h9n by Molmil
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13347
Descriptor: 3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-one, Heat shock protein HSP 90-alpha
Authors:Huang, L, Wang, W, Zhu, Z, Li, Q, Li, M, Zhou, H, Xu, Q, Wen, W, Wang, Q, Yu, F.
Deposit date:2024-07-10
Release date:2025-03-26
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Iucrj, 12, 2025
7H9K
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BU of 7h9k by Molmil
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12478
Descriptor: (1s,5s)-N-hydroxybicyclo[3.3.1]nonane-1-carboxamide, Heat shock protein HSP 90-alpha
Authors:Huang, L, Wang, W, Zhu, Z, Li, Q, Li, M, Zhou, H, Xu, Q, Wen, W, Wang, Q, Yu, F.
Deposit date:2024-07-10
Release date:2025-03-26
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Iucrj, 12, 2025
7H9X
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BU of 7h9x by Molmil
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr14128
Descriptor: 3,4-dimethylbenzamide, Heat shock protein HSP 90-alpha
Authors:Huang, L, Wang, W, Zhu, Z, Li, Q, Li, M, Zhou, H, Xu, Q, Wen, W, Wang, Q, Yu, F.
Deposit date:2024-07-10
Release date:2025-03-26
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Iucrj, 12, 2025
7HAD
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BU of 7had by Molmil
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr14363
Descriptor: 2,3-dimethylbenzamide, Heat shock protein HSP 90-alpha
Authors:Huang, L, Wang, W, Zhu, Z, Li, Q, Li, M, Zhou, H, Xu, Q, Wen, W, Wang, Q, Yu, F.
Deposit date:2024-07-10
Release date:2025-03-26
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Iucrj, 12, 2025
7HAM
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BU of 7ham by Molmil
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr14242
Descriptor: (1P)-1-(3-fluorophenyl)-1H-imidazole, Heat shock protein HSP 90-alpha
Authors:Huang, L, Wang, W, Zhu, Z, Li, Q, Li, M, Zhou, H, Xu, Q, Wen, W, Wang, Q, Yu, F.
Deposit date:2024-07-10
Release date:2025-03-26
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Iucrj, 12, 2025

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