Legacy flatfile-incompatible PDB entries

7HBD	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
7HBE	PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12771 Descriptor: 5-methyl-2-(trifluoromethyl)furan-3-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 (1.79 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	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
7HBG	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
7HBH	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
7HBJ	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
7HBK	PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13232 Descriptor: 6-(2,3-dimethylphenoxy)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 (2.14 Å) Cite: Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening. Iucrj, 12, 2025
7HBM	PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13278 Descriptor: Heat shock protein HSP 90-alpha, N-cycloheptyl-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 (2.21 Å) Cite: Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening. Iucrj, 12, 2025
7HBN	PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13145 Descriptor: Heat shock protein HSP 90-alpha, {2-[(oxan-4-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 (1.99 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	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
7HBP	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
7HBQ	PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with FS-2731 Descriptor: 5-bromo-2-(1H-pyrazol-1-yl)pyrimidine, 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 (2.73 Å) Cite: Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening. Iucrj, 12, 2025
7HBR	PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with AS-5576 Descriptor: 4-(4-fluorophenyl)-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 (1.91 Å) Cite: Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening. Iucrj, 12, 2025
7HBS	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
7HBT	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
7HBV	PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with PS-4833 Descriptor: 7-methoxy-1H-pyrrolo[2,3-c]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 (1.56 Å) Cite: Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening. Iucrj, 12, 2025
7HBW	PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with PS-4774 Descriptor: 3-bromo-1H-pyrazolo[3,4-c]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 (1.91 Å) Cite: Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening. Iucrj, 12, 2025
7HBX	PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with AS-5591 Descriptor: (3-methyl-5-phenyl-1,2-oxazol-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 (2.25 Å) Cite: Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening. Iucrj, 12, 2025
7HBY	PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with 9R-0342 Descriptor: Heat shock protein HSP 90-alpha, N-[(4-fluorophenyl)methyl]-1H-pyrrole-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 (1.82 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	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
7HC0	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
7HC1	PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with 10T-0263 Descriptor: (3M)-3-(3-fluoro-4-methoxyphenyl)-4-methyl-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 (2.13 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	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
7HC3	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
7HCB	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000286 Descriptor: N-cyclopropyl-5-{[(1-phenyl-1H-tetrazol-5-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-amine, Non-structural protein 3 Authors: Correy, G.J, Fraser, J.S. Deposit date: 2024-08-15 Release date: 2025-06-11 Method: X-RAY DIFFRACTION (1 Å) Cite: Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning. Sci Adv, 11, 2025

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