PDB: 97310 件ウェブページステータス検索Chemie searchBIRD

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5R3Q	PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 50, 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 2020-07-08 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
5R1W	PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry C11, DMSO-free 分子名称: Endothiapepsin, N-ethyl-N-(thiophene-2-carbonyl)-beta-alanine 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 2020-07-08 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
5R2D	PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry H11, DMSO-free 分子名称: 1-cyclopentyl-3-[[(2~{S})-oxolan-2-yl]methyl]urea, 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 2020-07-08 実験手法 X-RAY DIFFRACTION (0.919 Å) 主引用文献 F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5R2T	PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 17, 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 2020-07-08 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
5R3B	PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 35, 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 2020-07-08 実験手法 X-RAY DIFFRACTION (1.17 Å) 主引用文献 F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5R3P	PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 49, 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 2020-07-08 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
5RCX	PanDDA analysis group deposition -- Endothiapepsin ground state model 19 分子名称: Endothiapepsin 著者 Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. 登録日 2020-03-24 公開日 2020-06-03 最終更新日 2020-06-17 実験手法 X-RAY DIFFRACTION (1.04 Å) 主引用文献 F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5RDA	PanDDA analysis group deposition -- Endothiapepsin ground state model 32 分子名称: Endothiapepsin 著者 Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. 登録日 2020-03-24 公開日 2020-06-03 最終更新日 2020-06-17 実験手法 X-RAY DIFFRACTION (0.98 Å) 主引用文献 F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5RDQ	PanDDA analysis group deposition -- Endothiapepsin ground state model 42 分子名称: Endothiapepsin 著者 Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. 登録日 2020-03-24 公開日 2020-06-03 最終更新日 2020-06-17 実験手法 X-RAY DIFFRACTION (1.04 Å) 主引用文献 F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5RCO	PanDDA analysis group deposition -- Endothiapepsin ground state model 09 分子名称: ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... 著者 Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. 登録日 2020-03-24 公開日 2020-06-03 最終更新日 2020-06-17 実験手法 X-RAY DIFFRACTION (1.21 Å) 主引用文献 F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5RD5	PanDDA analysis group deposition -- Endothiapepsin ground state model 27 分子名称: ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... 著者 Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. 登録日 2020-03-24 公開日 2020-06-03 最終更新日 2020-06-17 実験手法 X-RAY DIFFRACTION (1.15 Å) 主引用文献 F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5RDM	PanDDA analysis group deposition -- Endothiapepsin ground state model 46 分子名称: Endothiapepsin 著者 Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. 登録日 2020-03-24 公開日 2020-06-03 最終更新日 2020-06-17 実験手法 X-RAY DIFFRACTION (1.01 Å) 主引用文献 F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5RE3	PanDDA analysis group deposition -- Endothiapepsin ground state model 12 分子名称: ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... 著者 Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. 登録日 2020-03-24 公開日 2020-06-03 最終更新日 2020-06-17 実験手法 X-RAY DIFFRACTION (1.09 Å) 主引用文献 F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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 2020-07-08 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 2020-07-08 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 2020-07-08 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 2020-07-08 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 2020-07-08 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
1EEF	HEAT-LABILE ENTEROTOXIN B-PENTAMER COMPLEXED WITH BOUND LIGAND PEPG 分子名称: 2-PHENETHYL-2,3-DIHYDRO-PHTHALAZINE-1,4-DIONE, PROTEIN (HEAT-LABILE ENTEROTOXIN B CHAIN), alpha-D-galactopyranose 著者 Merritt, E.A, Hol, W.G.J. 登録日 2000-01-31 公開日 2000-02-16 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Exploration of the GM1 receptor-binding site of heat-labile enterotoxin and cholera toxin by phenyl-ring-containing galactose derivatives. Acta Crystallogr.,Sect.D, 57, 2001
8GCR	HPV16 E6-E6AP-p53 complex 分子名称: Cellular tumor antigen p53, Maltose/maltodextrin-binding periplasmic protein,Protein E6, Ubiquitin-protein ligase E3A, ... 著者 Bratkowski, M.A, Wang, J.C.K, Hao, Q, Nile, A.H. 登録日 2023-03-02 公開日 2024-03-06 実験手法 ELECTRON MICROSCOPY (3.38 Å) 主引用文献 Structure of the p53 degradation complex from HPV16. Nat Commun, 15, 2024
1ESC	THE MOLECULAR MECHANISM OF ENANTIORECOGNITION BY ESTERASES 分子名称: ESTERASE 著者 Wei, Y, Schottel, J.L, Derewenda, U, Swenson, L, Patkar, S, Derewenda, Z.S. 登録日 1994-10-07 公開日 1995-10-15 最終更新日 2019-08-14 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 A novel variant of the catalytic triad in the Streptomyces scabies esterase. Nat.Struct.Biol., 2, 1995
4TUR	Human DNA polymerase beta inserting dCMPNPP opposite the 5'G of cisplatin crosslinked Gs (Pt-GG2) 分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, Cisplatin, DNA (5'-D(*CP*CP*CP*AP*CP*GP*GP*CP*CP*CP*AP*TP*CP*AP*CP*C)-3'), ... 著者 Koag, M.C, Lee, S. 登録日 2014-06-24 公開日 2014-10-01 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.169 Å) 主引用文献 Structural Basis for the Inefficient Nucleotide Incorporation Opposite Cisplatin-DNA Lesion by Human DNA Polymerase beta. J.Biol.Chem., 289, 2014
8GA7	Geometrically programmable nanomaterial construction using regularized protein building blocks 分子名称: THR5 著者 Huddy, T, Bera, A.K, Baker, D, Kang, A. 登録日 2023-02-22 公開日 2024-03-13 最終更新日 2024-04-10 実験手法 X-RAY DIFFRACTION (2.93 Å) 主引用文献 Blueprinting extendable nanomaterials with standardized protein blocks. Nature, 627, 2024
1EG5	NIFS-LIKE PROTEIN 分子名称: AMINOTRANSFERASE, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION 著者 Kaiser, J.T, Clausen, T, Bourenkow, G.P, Bartunik, H.-D, Steinbacher, S, Huber, R. 登録日 2000-02-13 公開日 2000-04-02 最終更新日 2018-01-31 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystal structure of a NifS-like protein from Thermotoga maritima: implications for iron sulphur cluster assembly. J.Mol.Biol., 297, 2000
1EET	HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH THE INHIBITOR MSC204 分子名称: 1-(5-BROMO-PYRIDIN-2-YL)-3-[2-(6-FLUORO-2-HYDROXY-3-PROPIONYL-PHENYL)-CYCLOPROPYL]-UREA, HIV-1 REVERSE TRANSCRIPTASE 著者 Hogberg, M, Sahlberg, C, Engelhardt, P, Noreen, R, Kangasmetsa, J, Johansson, N.G, Oberg, B, Vrang, L, Zhang, H, Sahlberg, B.L, Unge, T, Lovgren, S, Fridborg, K, Backbro, K. 登録日 2000-02-03 公開日 2001-02-07 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.73 Å) 主引用文献 Urea-PETT compounds as a new class of HIV-1 reverse transcriptase inhibitors. 3. Synthesis and further structure-activity relationship studies of PETT analogues. J.Med.Chem., 42, 1999

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