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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
7HB5
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BU of 7hb5 by Molmil
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13078
Descriptor: Heat shock protein HSP 90-alpha, ~{N}-(4-chlorophenyl)methanesulfonamide
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
7HBT
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BU of 7hbt by Molmil
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with PS-3621
Descriptor: Heat shock protein HSP 90-alpha, [3-(4-methylphenyl)-1H-pyrazol-1-yl]acetic acid
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
7HBZ
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BU of 7hbz by Molmil
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with 6R-0009
Descriptor: (4R)-5-chloro-3-ethyl[1,2,4]triazolo[4,3-a]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 (1.44 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
7H9L
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BU of 7h9l by Molmil
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr14229
Descriptor: (1s,5s)-bicyclo[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 (1.42 Å)
Cite:Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Iucrj, 12, 2025
7H9T
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BU of 7h9t by Molmil
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12599
Descriptor: (5-methyl-1-phenyl-1H-pyrazol-4-yl)methanol, 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 (2.48 Å)
Cite:Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Iucrj, 12, 2025
7HA3
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BU of 7ha3 by Molmil
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr14259
Descriptor: 3-ethyl-2-sulfanylidene-1,3-thiazolidin-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 (1.98 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
7HAR
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BU of 7har by Molmil
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12616
Descriptor: 4-(morpholin-4-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 (1.77 Å)
Cite:Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Iucrj, 12, 2025
7HB1
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BU of 7hb1 by Molmil
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12936
Descriptor: (6-phenoxypyridin-3-yl)methanol, 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
7HBF
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BU of 7hbf by Molmil
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12938
Descriptor: Heat shock protein HSP 90-alpha, {3-[(pyridin-2-yl)oxy]phenyl}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 (1.97 Å)
Cite:Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Iucrj, 12, 2025
7HAZ
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BU of 7haz by Molmil
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12919
Descriptor: (2-phenoxyphenyl)methanol, 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
7HBJ
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BU of 7hbj by Molmil
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13498
Descriptor: 6-(4-chloro-3-methylphenoxy)pyridin-3-amine, 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 (2.65 Å)
Cite:Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Iucrj, 12, 2025
7HC2
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BU of 7hc2 by Molmil
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with 2X-5009
Descriptor: Heat shock protein HSP 90-alpha, N-(pyridin-4-yl)cyclopropanecarboxamide
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 (1.6 Å)
Cite:Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Iucrj, 12, 2025
7H9Q
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BU of 7h9q by Molmil
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13944
Descriptor: 5-fluoro-2-methylbenzamide, 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 (1.51 Å)
Cite:Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Iucrj, 12, 2025
7H9U
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BU of 7h9u by Molmil
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12864
Descriptor: 5-chloranylthiophene-2-sulfonamide, 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 (1.94 Å)
Cite:Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Iucrj, 12, 2025
7HAI
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BU of 7hai by Molmil
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with PS-5525
Descriptor: 2-(3-bromophenyl)-5-methyl-1,3,4-oxadiazole, 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
7HAO
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BU of 7hao by Molmil
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13777
Descriptor: (3M)-3-(1H-pyrazol-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 (1.83 Å)
Cite:Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Iucrj, 12, 2025
7HA2
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BU of 7ha2 by Molmil
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr14256
Descriptor: 3-amino-4-methylbenzamide, 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 (1.73 Å)
Cite:Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Iucrj, 12, 2025
7HA5
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BU of 7ha5 by Molmil
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with PS-3550
Descriptor: 1-[(4-bromophenyl)methyl]-1,4-diazepane, 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 (1.53 Å)
Cite:Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Iucrj, 12, 2025

238582

数据于2025-07-09公开中

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