3MEL
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![BU of 3mel by Molmil](/molmil-images/mine/3mel) | Crystal Structure of Thiamin pyrophosphokinase family protein from Enterococcus faecalis, Northeast Structural Genomics Consortium Target EfR150 | 分子名称: | MAGNESIUM ION, PHOSPHATE ION, THIAMINE DIPHOSPHATE, ... | 著者 | Kuzin, A, Abasidze, M, Seetharaman, J, Mao, M, Xiao, R, Ciccosanti, C, Foote, E.L, Maglaqui, M, Zhao, L, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2010-03-31 | 公開日 | 2010-05-05 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.788 Å) | 主引用文献 | Northeast Structural Genomics Consortium Target EfR150 To be Published
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5SX9
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![BU of 5sx9 by Molmil](/molmil-images/mine/5sx9) | Crystal Structure of PI3Kalpha in complex with fragment 14 | 分子名称: | 4,6-dimethylpyridin-2-amine, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M. | 登録日 | 2016-08-09 | 公開日 | 2017-02-15 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.52 Å) | 主引用文献 | Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design. Bioorg. Med. Chem., 25, 2017
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5SXE
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![BU of 5sxe by Molmil](/molmil-images/mine/5sxe) | Crystal Structure of PI3Kalpha in complex with fragments 19 and 28 | 分子名称: | 3-aminobenzonitrile, 4-bromo-1H-imidazole, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | 著者 | Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M. | 登録日 | 2016-08-09 | 公開日 | 2017-02-15 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.51 Å) | 主引用文献 | Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design. Bioorg. Med. Chem., 25, 2017
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6KS1
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![BU of 6ks1 by Molmil](/molmil-images/mine/6ks1) | Crystal structure of the human adiponectin receptor 2 | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, ... | 著者 | Tanabe, H, Fujii, Y, Nakamura, Y, Hosaka, T, Okada-Iwabu, M, Iwabu, M, Kimura-Someya, T, Shirouzu, M, Yamauchi, T, Kadowaki, T, Yokoyama, S. | 登録日 | 2019-08-22 | 公開日 | 2020-08-19 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Human adiponectin receptor AdipoR1 assumes closed and open structures. Commun Biol, 3, 2020
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2W1E
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![BU of 2w1e by Molmil](/molmil-images/mine/2w1e) | Structure determination of Aurora Kinase in complex with inhibitor | 分子名称: | 4-[(2-{4-[(PHENYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-5-YL)METHYL]MORPHOLIN-4-IUM, SERINE/THREONINE-PROTEIN KINASE 6 | 著者 | Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G. | 登録日 | 2008-10-17 | 公開日 | 2009-01-27 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.93 Å) | 主引用文献 | Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity. J.Med.Chem., 52, 2009
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3NFK
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![BU of 3nfk by Molmil](/molmil-images/mine/3nfk) | Crystal structure of the PTPN4 PDZ domain complexed with the C-terminus of a rabies virus G protein | 分子名称: | GLYCEROL, Glycoprotein G, Tyrosine-protein phosphatase non-receptor type 4 | 著者 | Babault, N, Cordier, F, Lafage, M, Cockburn, J, Haouz, A, Rey, F.A, Delepierre, M, Buc, H, Lafon, M, Wolff, N. | 登録日 | 2010-06-10 | 公開日 | 2011-08-24 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | Peptides Targeting the PDZ Domain of PTPN4 Are Efficient Inducers of Glioblastoma Cell Death. Structure, 19, 2011
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6KRZ
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![BU of 6krz by Molmil](/molmil-images/mine/6krz) | Crystal structure of the human adiponectin receptor 1 D208A mutant | 分子名称: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Adiponectin receptor protein 1, OLEIC ACID, ... | 著者 | Tanabe, H, Fujii, Y, Okada-Iwabu, M, Iwabu, M, Yamauchi, T, Kadowaki, T, Yokoyama, S. | 登録日 | 2019-08-22 | 公開日 | 2020-08-19 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | 主引用文献 | Human adiponectin receptor AdipoR1 assumes closed and open structures. Commun Biol, 3, 2020
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3NFL
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![BU of 3nfl by Molmil](/molmil-images/mine/3nfl) | Crystal structure of the PTPN4 PDZ domain complexed with the C-terminus of the GluN2A NMDA receptor subunit | 分子名称: | Glutamate [NMDA] receptor subunit epsilon-1, Tyrosine-protein phosphatase non-receptor type 4 | 著者 | Babault, N, Cordier, F, Lafage, M, Cockburn, J, Haouz, A, Rey, F.A, Delepierre, M, Buc, H, Lafon, M, Wolff, N. | 登録日 | 2010-06-10 | 公開日 | 2011-08-24 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | Peptides Targeting the PDZ Domain of PTPN4 Are Efficient Inducers of Glioblastoma Cell Death. Structure, 19, 2011
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2VXO
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![BU of 2vxo by Molmil](/molmil-images/mine/2vxo) | Human GMP synthetase in complex with XMP | 分子名称: | GMP SYNTHASE [GLUTAMINE-HYDROLYZING], SULFATE ION, XANTHOSINE-5'-MONOPHOSPHATE | 著者 | Welin, M, Lehtio, L, Andersson, J, Arrowsmith, C.H, Berglund, H, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nyman, T, Olesen, K, Persson, C, Sagemark, J, Schueler, H, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wisniewska, M, Wikstrom, M, Nordlund, P. | 登録日 | 2008-07-08 | 公開日 | 2008-08-12 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Substrate Specificity and Oligomerization of Human Gmp Synthetase J.Mol.Biol., 425, 2013
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5SWT
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![BU of 5swt by Molmil](/molmil-images/mine/5swt) | Crystal Structure of PI3Kalpha in complex with fragments 17 and 27 | 分子名称: | 3-fluoro-4-methoxyaniline, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, ... | 著者 | Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M. | 登録日 | 2016-08-08 | 公開日 | 2017-02-15 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.49 Å) | 主引用文献 | Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design. Bioorg. Med. Chem., 25, 2017
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2W1I
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![BU of 2w1i by Molmil](/molmil-images/mine/2w1i) | Structure determination of Aurora Kinase in complex with inhibitor | 分子名称: | 4-[(2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-6-YL)METHYL]MORPHOLIN-4-IUM, JAK2 | 著者 | Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G. | 登録日 | 2008-10-17 | 公開日 | 2009-01-27 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity. J.Med.Chem., 52, 2009
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5R14
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![BU of 5r14 by Molmil](/molmil-images/mine/5r14) | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 19, DMSO-free | 分子名称: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | 著者 | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | 登録日 | 2020-02-12 | 公開日 | 2020-06-03 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.74 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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5R1I
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![BU of 5r1i by Molmil](/molmil-images/mine/5r1i) | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 33, DMSO-free | 分子名称: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | 著者 | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | 登録日 | 2020-02-12 | 公開日 | 2020-06-03 | 最終更新日 | 2021-03-10 | 実験手法 | X-RAY DIFFRACTION (2.01 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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5R20
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![BU of 5r20 by Molmil](/molmil-images/mine/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 | 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
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3N4P
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![BU of 3n4p by Molmil](/molmil-images/mine/3n4p) | Human cytomegalovirus terminase nuclease domain | 分子名称: | MAGNESIUM ION, Terminase subunit UL89 protein | 著者 | Nadal, M, Mas, P.J, Blanco, A.G, Arnan, C, Sola, M, Hart, D.J, Coll, M. | 登録日 | 2010-05-22 | 公開日 | 2010-10-06 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Structure and inhibition of herpesvirus DNA packaging terminase nuclease domain. Proc.Natl.Acad.Sci.USA, 107, 2010
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5R2G
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![BU of 5r2g by Molmil](/molmil-images/mine/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 | 2020-07-08 | 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
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5R2X
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![BU of 5r2x by Molmil](/molmil-images/mine/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 | 2020-07-08 | 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
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5R3E
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![BU of 5r3e by Molmil](/molmil-images/mine/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 | 2020-07-08 | 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
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5R3V
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![BU of 5r3v by Molmil](/molmil-images/mine/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 | 2020-07-08 | 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
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5R10
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![BU of 5r10 by Molmil](/molmil-images/mine/5r10) | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 14, DMSO-free | 分子名称: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | 著者 | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | 登録日 | 2020-02-12 | 公開日 | 2020-06-03 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.7 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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5R1H
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![BU of 5r1h by Molmil](/molmil-images/mine/5r1h) | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 32, DMSO-free | 分子名称: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | 著者 | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | 登録日 | 2020-02-12 | 公開日 | 2020-06-03 | 最終更新日 | 2021-03-10 | 実験手法 | X-RAY DIFFRACTION (2.06 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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5R22
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![BU of 5r22 by Molmil](/molmil-images/mine/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 | 2020-07-08 | 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
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5R2I
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![BU of 5r2i by Molmil](/molmil-images/mine/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 | 2020-07-08 | 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
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5R2Z
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![BU of 5r2z by Molmil](/molmil-images/mine/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 | 2020-07-08 | 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
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5R3F
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![BU of 5r3f by Molmil](/molmil-images/mine/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 | 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
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