PDB: 81 件ウェブページステータス検索Chemie searchBIRD

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5R1T	PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry A07, DMSO-free 分子名称: (2-aminopyridin-3-yl)methanol, Endothiapepsin 著者 Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. 登録日 2020-02-13 公開日 2020-06-03 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (1.187 Å) 主引用文献 F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5R28	PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry G08, DMSO-free 分子名称: Endothiapepsin, N-ethyl-2-{[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide 著者 Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. 登録日 2020-02-13 公開日 2020-06-03 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (1.019 Å) 主引用文献 F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5R2Q	PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 14, DMSO-Free 分子名称: Endothiapepsin 著者 Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. 登録日 2020-02-13 公開日 2020-06-03 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.038 Å) 主引用文献 F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5R35	PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 29, DMSO-Free 分子名称: Endothiapepsin 著者 Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. 登録日 2020-02-13 公開日 2020-06-03 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (0.91 Å) 主引用文献 F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5R3L	PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 45, DMSO-Free 分子名称: Endothiapepsin 著者 Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. 登録日 2020-02-13 公開日 2020-06-03 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (0.94 Å) 主引用文献 F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5R41	PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 61, DMSO-Free 分子名称: Endothiapepsin 著者 Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. 登録日 2020-02-13 公開日 2020-06-03 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.077 Å) 主引用文献 F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5R21	PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry E07, DMSO-free 分子名称: 1-(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methanamine, Endothiapepsin 著者 Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. 登録日 2020-02-13 公開日 2020-06-03 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.047 Å) 主引用文献 F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5R2H	PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 04, DMSO-Free 分子名称: Endothiapepsin 著者 Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. 登録日 2020-02-13 公開日 2020-06-03 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.018 Å) 主引用文献 F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5R2W	PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 20, DMSO-Free 分子名称: Endothiapepsin 著者 Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. 登録日 2020-02-13 公開日 2020-06-03 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.285 Å) 主引用文献 F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5R3A	PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 34, DMSO-Free 分子名称: Endothiapepsin 著者 Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. 登録日 2020-02-13 公開日 2020-06-03 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (1.088 Å) 主引用文献 F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5R3S	PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 52, DMSO-Free 分子名称: Endothiapepsin 著者 Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. 登録日 2020-02-13 公開日 2020-06-03 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.048 Å) 主引用文献 F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5R20	PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry E06, DMSO-free 分子名称: (3-endo)-8-benzyl-8-azabicyclo[3.2.1]octan-3-ol, Endothiapepsin 著者 Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. 登録日 2020-02-13 公開日 2020-06-03 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.009 Å) 主引用文献 F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5R2G	PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 03, DMSO-Free 分子名称: Endothiapepsin 著者 Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. 登録日 2020-02-13 公開日 2020-06-03 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (0.998 Å) 主引用文献 F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5R2X	PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 21, DMSO-Free 分子名称: Endothiapepsin 著者 Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. 登録日 2020-02-13 公開日 2020-06-03 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (1.129 Å) 主引用文献 F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5R3E	PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 38, DMSO-Free 分子名称: Endothiapepsin 著者 Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. 登録日 2020-02-13 公開日 2020-06-03 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (1.008 Å) 主引用文献 F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5R3V	PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 55, DMSO-Free 分子名称: Endothiapepsin 著者 Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. 登録日 2020-02-13 公開日 2020-06-03 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (1.118 Å) 主引用文献 F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5R22	PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry E11, DMSO-free 分子名称: Endothiapepsin, [2-(morpholin-4-yl)-1,3-thiazol-5-yl]methanol 著者 Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. 登録日 2020-02-13 公開日 2020-06-03 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.098 Å) 主引用文献 F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5R2I	PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 05, DMSO-Free 分子名称: Endothiapepsin 著者 Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. 登録日 2020-02-13 公開日 2020-06-03 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.008 Å) 主引用文献 F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5R2Z	PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 23, DMSO-Free 分子名称: Endothiapepsin 著者 Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. 登録日 2020-02-13 公開日 2020-06-03 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (0.969 Å) 主引用文献 F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5R3F	PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 39, DMSO-Free 分子名称: Endothiapepsin 著者 Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. 登録日 2020-02-13 公開日 2020-06-03 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.187 Å) 主引用文献 F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5R3U	PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 54, DMSO-Free 分子名称: Endothiapepsin 著者 Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. 登録日 2020-02-13 公開日 2020-06-03 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.088 Å) 主引用文献 F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5R2O	PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 12, DMSO-Free 分子名称: Endothiapepsin 著者 Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. 登録日 2020-02-13 公開日 2020-06-03 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (0.969 Å) 主引用文献 F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5R36	PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 30, DMSO-Free 分子名称: Endothiapepsin 著者 Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. 登録日 2020-02-13 公開日 2020-06-03 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (1.008 Å) 主引用文献 F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5R3M	PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 46, DMSO-Free 分子名称: Endothiapepsin 著者 Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. 登録日 2020-02-13 公開日 2020-06-03 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.038 Å) 主引用文献 F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5R1U	PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry B03, DMSO-free 分子名称: 2-[(1R)-1-aminopropyl]phenol, Endothiapepsin 著者 Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. 登録日 2020-02-13 公開日 2020-06-03 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.039 Å) 主引用文献 F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020

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