5S7E
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![BU of 5s7e by Molmil](/molmil-images/mine/5s7e) | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010930a | 分子名称: | (3R)-1,2-oxazolidine-3-carbonitrile, 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, ... | 著者 | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | 登録日 | 2020-12-11 | 公開日 | 2021-06-23 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | 主引用文献 | XChem group deposition To Be Published
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5S82
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![BU of 5s82 by Molmil](/molmil-images/mine/5s82) | XChem group deposition -- Crystal Structure of human ACVR1 in complex with XS035128c | 分子名称: | 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ... | 著者 | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | 登録日 | 2020-12-11 | 公開日 | 2021-06-23 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | XChem group deposition To Be Published
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5SDR
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![BU of 5sdr by Molmil](/molmil-images/mine/5sdr) | PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z1273312153 | 分子名称: | Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION, N-methyl-1H-indole-7-carboxamide | 著者 | Tham, C.T, Coker, J.A, Krojer, T, Foster, W.R, Koekemoer, L, Douangamath, A, Talon, R, Fearon, D, von Delft, F, Yue, W.W, Bountra, C, Bezerra, G.A. | 登録日 | 2022-01-20 | 公開日 | 2022-02-09 | 実験手法 | X-RAY DIFFRACTION (2.077 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5SDF
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![BU of 5sdf by Molmil](/molmil-images/mine/5sdf) | PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z2856434834 | 分子名称: | Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION, N-(2,3-dimethylphenyl)-2-(morpholin-4-yl)acetamide | 著者 | Tham, C.T, Coker, J.A, Krojer, T, Foster, W.R, Koekemoer, L, Douangamath, A, Talon, R, Fearon, D, von Delft, F, Yue, W.W, Bountra, C, Bezerra, G.A. | 登録日 | 2022-01-20 | 公開日 | 2022-02-09 | 実験手法 | X-RAY DIFFRACTION (1.877 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5SDN
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![BU of 5sdn by Molmil](/molmil-images/mine/5sdn) | PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z437584380 | 分子名称: | (4-chlorophenyl)(thiomorpholin-4-yl)methanone, Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION | 著者 | Tham, C.T, Coker, J.A, Krojer, T, Foster, W.R, Koekemoer, L, Douangamath, A, Talon, R, Fearon, D, von Delft, F, Yue, W.W, Bountra, C, Bezerra, G.A. | 登録日 | 2022-01-20 | 公開日 | 2022-02-09 | 実験手法 | X-RAY DIFFRACTION (2.023 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5SDD
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![BU of 5sdd by Molmil](/molmil-images/mine/5sdd) | PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z2856434879 | 分子名称: | 2-[(4-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline, Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION | 著者 | Tham, C.T, Coker, J.A, Krojer, T, Foster, W.R, Koekemoer, L, Douangamath, A, Talon, R, Fearon, D, von Delft, F, Yue, W.W, Bountra, C, Bezerra, G.A. | 登録日 | 2022-01-20 | 公開日 | 2022-02-09 | 実験手法 | X-RAY DIFFRACTION (1.839 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5SDM
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![BU of 5sdm by Molmil](/molmil-images/mine/5sdm) | PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z1328078283 | 分子名称: | Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION, N-(cyclopropylmethyl)-2,2,3,3-tetramethylazetidine-1-carboxamide | 著者 | Tham, C.T, Coker, J.A, Krojer, T, Foster, W.R, Koekemoer, L, Douangamath, A, Talon, R, Fearon, D, von Delft, F, Yue, W.W, Bountra, C, Bezerra, G.A. | 登録日 | 2022-01-20 | 公開日 | 2022-02-09 | 実験手法 | X-RAY DIFFRACTION (2.039 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5SDS
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![BU of 5sds by Molmil](/molmil-images/mine/5sds) | PanDDA analysis group deposition of ground-state model of Porphyromonas gingivalis DPP11 | 分子名称: | Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION | 著者 | Tham, C.T, Coker, J.A, Krojer, T, Foster, W.R, Koekemoer, L, Douangamath, A, Talon, R, Fearon, D, von Delft, F, Yue, W.W, Bountra, C, Bezerra, G.A. | 登録日 | 2022-01-20 | 公開日 | 2022-02-09 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | PanDDA analysis group deposition of ground-state model To Be Published
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5SML
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![BU of 5sml by Molmil](/molmil-images/mine/5sml) | PanDDA analysis group deposition of SARS-CoV-2 main protease ligands identified from single sequence-guideddeep generative framework -- Crystal structure of SARS-CoV-2 main protease in complex with Z68337194 (Mpro-IBM0045) | 分子名称: | 3C-like proteinase, 6-{[(3,4-dichlorophenyl)methyl](methyl)amino}pyridine-3-sulfonamide, DIMETHYL SULFOXIDE | 著者 | Fearon, D, Owen, C.D, Lukacik, P, Strain-Damerell, C.M, von Delft, F. | 登録日 | 2022-04-20 | 公開日 | 2023-04-26 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | PanDDA analysis group deposition of SARS-CoV-2 main protease ligands identified from single sequence-guideddeep generative framework To Be Published
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5SMN
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![BU of 5smn by Molmil](/molmil-images/mine/5smn) | PanDDA analysis group deposition of SARS-CoV-2 main protease ligands identified from single sequence-guideddeep generative framework -- Crystal structure of SARS-CoV-2 main protease in complex with Z1365651030 (Mpro-IBM0078) | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-(1-cyanocyclopropyl)-1-(3-methylpyridin-4-yl)piperidine-4-carboxamide | 著者 | Fearon, D, Owen, C.D, Lukacik, P, Strain-Damerell, C.M, von Delft, F. | 登録日 | 2022-04-20 | 公開日 | 2023-04-26 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | 主引用文献 | PanDDA analysis group deposition of SARS-CoV-2 main protease ligands identified from single sequence-guideddeep generative framework To Be Published
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5SMM
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![BU of 5smm by Molmil](/molmil-images/mine/5smm) | PanDDA analysis group deposition of SARS-CoV-2 main protease ligands identified from single sequence-guideddeep generative framework -- Crystal structure of SARS-CoV-2 main protease in complex with Z1633315555 (Mpro-IBM0058) | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-[4-(3-fluorophenyl)oxan-4-yl]-2-(3-hydroxyphenyl)acetamide | 著者 | Fearon, D, Owen, C.D, Lukacik, P, Strain-Damerell, C.M, von Delft, F. | 登録日 | 2022-04-20 | 公開日 | 2023-04-26 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | PanDDA analysis group deposition of SARS-CoV-2 main protease ligands identified from single sequence-guideddeep generative framework To Be Published
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5FUN
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![BU of 5fun by Molmil](/molmil-images/mine/5fun) | Crystal structure of human JARID1B in complex with GSK467 | 分子名称: | 1,2-ETHANEDIOL, 2-[(1-benzyl-1H-pyrazol-4-yl)oxy]pyrido[3,4-d]pyrimidin-4(3H)-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | 著者 | Srikannathasan, V, Johansson, C, Gileadi, C, Kopec, J, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Brennan, P, Oppermann, U. | 登録日 | 2016-01-28 | 公開日 | 2016-04-13 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development. Nat.Chem.Biol., 12, 2016
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5FUP
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![BU of 5fup by Molmil](/molmil-images/mine/5fup) | Crystal structure of human JARID1B in complex with 2-oxoglutarate. | 分子名称: | 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | 著者 | Nowak, R, Srikannathasan, V, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Talon, R, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | 登録日 | 2016-01-28 | 公開日 | 2016-03-23 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development. Nat.Chem.Biol., 12, 2016
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5FV3
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![BU of 5fv3 by Molmil](/molmil-images/mine/5fv3) | Crystal structure of human JARID1B construct c2 in complex with N- Oxalylglycine. | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | 著者 | Nowak, R, Srikannathasan, V, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Talon, R, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | 登録日 | 2016-02-02 | 公開日 | 2016-02-17 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | 主引用文献 | Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development. Nat.Chem.Biol., 12, 2016
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5FII
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![BU of 5fii by Molmil](/molmil-images/mine/5fii) | Structure of a human aspartate kinase, chorismate mutase and TyrA domain. | 分子名称: | PHENYLALANINE, PHENYLALANINE-4-HYDROXYLASE | 著者 | Patel, D, Kopec, J, Shrestha, L, Fitzpatrick, F, Pinkas, D, Chaikuad, A, Dixon-Clarke, S, McCorvie, T.J, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W. | 登録日 | 2015-09-25 | 公開日 | 2016-03-30 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural Basis for Ligand-Dependent Dimerization of Phenylalanine Hydroxylase Regulatory Domain. Sci.Rep., 6, 2016
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5SBM
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![BU of 5sbm by Molmil](/molmil-images/mine/5sbm) | CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z1267885772 | 分子名称: | (3S)-3-methyl-1-(6-methylpyridin-2-yl)piperazine, 1,2-ETHANEDIOL, CD44 antigen, ... | 著者 | Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O. | 登録日 | 2021-09-14 | 公開日 | 2021-09-22 | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | 主引用文献 | CD44 PanDDA analysis group deposition To Be Published
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5SBN
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![BU of 5sbn by Molmil](/molmil-images/mine/5sbn) | CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z57040482 | 分子名称: | 1,2-ETHANEDIOL, CD44 antigen, DIMETHYL SULFOXIDE, ... | 著者 | Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O. | 登録日 | 2021-09-14 | 公開日 | 2021-09-22 | 実験手法 | X-RAY DIFFRACTION (1.181 Å) | 主引用文献 | CD44 PanDDA analysis group deposition To Be Published
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5SBL
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![BU of 5sbl by Molmil](/molmil-images/mine/5sbl) | CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z126932614 | 分子名称: | 1,2-ETHANEDIOL, 2-[(methylsulfonyl)methyl]-1H-benzimidazole, CD44 antigen, ... | 著者 | Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O. | 登録日 | 2021-09-14 | 公開日 | 2021-09-22 | 実験手法 | X-RAY DIFFRACTION (1.198 Å) | 主引用文献 | CD44 PanDDA analysis group deposition To Be Published
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5SBK
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![BU of 5sbk by Molmil](/molmil-images/mine/5sbk) | CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z1258992717 | 分子名称: | 1,2-ETHANEDIOL, CD44 antigen, DIMETHYL SULFOXIDE, ... | 著者 | Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O. | 登録日 | 2021-09-14 | 公開日 | 2021-09-22 | 実験手法 | X-RAY DIFFRACTION (1.23 Å) | 主引用文献 | CD44 PanDDA analysis group deposition To Be Published
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5SBO
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![BU of 5sbo by Molmil](/molmil-images/mine/5sbo) | CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z2856434878 | 分子名称: | 1,2-ETHANEDIOL, 4-[(3,4-dimethoxyphenyl)methyl]morpholine, CD44 antigen, ... | 著者 | Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O. | 登録日 | 2021-09-14 | 公開日 | 2021-09-22 | 実験手法 | X-RAY DIFFRACTION (1.274 Å) | 主引用文献 | CD44 PanDDA analysis group deposition To Be Published
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5SBP
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![BU of 5sbp by Molmil](/molmil-images/mine/5sbp) | CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z1229798311 | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-6-fluorobenzoic acid, CD44 antigen, ... | 著者 | Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O. | 登録日 | 2021-09-14 | 公開日 | 2021-09-22 | 実験手法 | X-RAY DIFFRACTION (1.275 Å) | 主引用文献 | CD44 PanDDA analysis group deposition To Be Published
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5SBQ
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![BU of 5sbq by Molmil](/molmil-images/mine/5sbq) | CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z44592329 | 分子名称: | CD44 antigen, DIMETHYL SULFOXIDE, N-phenyl-N'-pyridin-3-ylurea, ... | 著者 | Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O. | 登録日 | 2021-09-14 | 公開日 | 2021-09-22 | 実験手法 | X-RAY DIFFRACTION (0.988 Å) | 主引用文献 | CD44 PanDDA analysis group deposition To Be Published
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5SBR
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![BU of 5sbr by Molmil](/molmil-images/mine/5sbr) | CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z1259341012 | 分子名称: | (1R)-1-[4-(morpholin-4-yl)phenyl]ethan-1-amine, 1,2-ETHANEDIOL, CD44 antigen, ... | 著者 | Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O. | 登録日 | 2021-09-14 | 公開日 | 2021-09-22 | 実験手法 | X-RAY DIFFRACTION (1.286 Å) | 主引用文献 | CD44 PanDDA analysis group deposition To Be Published
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5SBT
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![BU of 5sbt by Molmil](/molmil-images/mine/5sbt) | CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z445856640 | 分子名称: | 1,2-ETHANEDIOL, CD44 antigen, DIMETHYL SULFOXIDE, ... | 著者 | Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O. | 登録日 | 2021-09-14 | 公開日 | 2021-09-22 | 実験手法 | X-RAY DIFFRACTION (1.16 Å) | 主引用文献 | CD44 PanDDA analysis group deposition To Be Published
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5SBU
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![BU of 5sbu by Molmil](/molmil-images/mine/5sbu) | CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z839988838 | 分子名称: | CD44 antigen, DIMETHYL SULFOXIDE, N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]cyclohexanamine, ... | 著者 | Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O. | 登録日 | 2021-09-14 | 公開日 | 2021-09-22 | 実験手法 | X-RAY DIFFRACTION (1.044 Å) | 主引用文献 | CD44 PanDDA analysis group deposition To Be Published
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