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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
7HAB
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BU of 7hab by Molmil
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12700
Descriptor: (morpholin-4-yl)(phenyl)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 (1.5 Å)
Cite:Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Iucrj, 12, 2025
7HAU
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BU of 7hau by Molmil
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13098
Descriptor: Heat shock protein HSP 90-alpha, [2-(4-methylpiperazin-1-yl)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 (1.75 Å)
Cite:Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Iucrj, 12, 2025
7HB8
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BU of 7hb8 by Molmil
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13480
Descriptor: Heat shock protein HSP 90-alpha, N-[(1R,2R,4S)-bicyclo[2.2.1]hept-5-en-2-yl]-N-methylthiophene-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 (1.85 Å)
Cite:Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Iucrj, 12, 2025
7HAK
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BU of 7hak by Molmil
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with PS-6793
Descriptor: 8-fluoro-2-methylquinolin-4-ol, 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 (1.72 Å)
Cite:Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Iucrj, 12, 2025
7HAG
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BU of 7hag by Molmil
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr14186
Descriptor: (3M)-3-(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 (1.53 Å)
Cite:Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Iucrj, 12, 2025
7HBC
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BU of 7hbc by Molmil
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13229
Descriptor: 2-oxo-2,3-dihydro-1,3-benzoxazole-6-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 (1.86 Å)
Cite:Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Iucrj, 12, 2025
7HBO
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BU of 7hbo by Molmil
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13368
Descriptor: Heat shock protein HSP 90-alpha, N-[(1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-yl]-N'-butyl-N-methylurea
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 (2.07 Å)
Cite:Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Iucrj, 12, 2025
7HC0
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BU of 7hc0 by Molmil
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with 4W-0801
Descriptor: 3-(3-bromothiophen-2-yl)-1H-pyrazole, 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
7HAV
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BU of 7hav by Molmil
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12879
Descriptor: 3-amino-5-tert-butylthiophene-2-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 (2.45 Å)
Cite:Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Iucrj, 12, 2025
7HB2
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BU of 7hb2 by Molmil
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with FL0184
Descriptor: 2-methoxy-7,7-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-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 (1.67 Å)
Cite:Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Iucrj, 12, 2025
7HAT
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BU of 7hat by Molmil
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12860
Descriptor: (furan-2-yl)(thiomorpholin-4-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 (2.04 Å)
Cite:Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Iucrj, 12, 2025
7HB9
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BU of 7hb9 by Molmil
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13464
Descriptor: 2,5-dichlorothiophene-3-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 (1.89 Å)
Cite:Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Iucrj, 12, 2025
7HBG
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BU of 7hbg by Molmil
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13237
Descriptor: Heat shock protein HSP 90-alpha, N-methyl-1-{4-[(pyridin-2-yl)oxy]phenyl}methanamine
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 (1.69 Å)
Cite:Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
Iucrj, 12, 2025
7HBD
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BU of 7hbd by Molmil
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12810
Descriptor: Heat shock protein HSP 90-alpha, N-(3-chlorophenyl)-2-cyanoacetamide
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
7HBB
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BU of 7hbb by Molmil
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13430
Descriptor: 3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-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 (1.84 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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