5SC5
 
 | | CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z56827661 | | 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 (1.171 Å) | | 主引用文献 | CD44 PanDDA analysis group deposition
To Be Published
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5SC6
 | | CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with POB0019 | | 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 (1.327 Å) | | 主引用文献 | CD44 PanDDA analysis group deposition
To Be Published
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5SC7
 | | CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with POB0120 | | 分子名称: | (2R)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one, 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 (1.197 Å) | | 主引用文献 | CD44 PanDDA analysis group deposition
To Be Published
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5SDE
 | | PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z1619978933 | | 分子名称: | 5-fluoro-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,3,6-tetrahydropyridine, 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 (1.854 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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5SDK
 | | PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z416341642 | | 分子名称: | (2S)-N,2-dimethyl-N-(propan-2-yl)morpholine-4-sulfonamide, 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 (1.977 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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5SDJ
 | | PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z32327641 | | 分子名称: | Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION, [4-(cyclopropanecarbonyl)piperazin-1-yl](furan-2-yl)methanone | | 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 (2.041 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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5SDH
 | | PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z2856434854 | | 分子名称: | 1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide, 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 (2.313 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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5SDG
 | | PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z136583524 | | 分子名称: | 2-methyl-N-(pyridin-4-yl)furan-3-carboxamide, 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 (1.95 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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5SDO
 | | PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z19735067 | | 分子名称: | 2-(4-fluorophenoxy)-1-(pyrrolidin-1-yl)ethan-1-one, 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 (2.051 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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5SDQ
 | | PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z2856434887 | | 分子名称: | 2-[(morpholin-4-yl)methyl]phenol, 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 (1.92 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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5SDC
 | | PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z2856434912 | | 分子名称: | 3-[(4-methylpiperidin-1-yl)methyl]-1H-indole, 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 (1.928 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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5SDI
 | | PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z44592329 | | 分子名称: | Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION, N-phenyl-N'-pyridin-3-ylurea | | 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 (1.898 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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5SDP
 | | PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z2277255954 | | 分子名称: | 5-fluoro-1-(1-methylcyclopropane-1-sulfonyl)-1,2,3,6-tetrahydropyridine, 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 (2.195 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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5SDL
 | | PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z321318226 | | 分子名称: | Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION, N-(4-methoxyphenyl)-N'-pyridin-4-ylurea | | 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 (2.44 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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8Q34
 | | Crystal structure of the first bromodomain of human BRD4 in complex with the ligand ZZ001229a | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(1~{H}-imidazo[4,5-b]pyridin-2-ylmethyl)-3-(3-methyl-1,2-diazirin-3-yl)propanamide | | 著者 | MacLean, E.M, Gao, Q, Williams, E, Balcomb, B.H, von Delft, F, Bajusz, D, Keeley, A, Abranyi-Balogh, P, Koekemoer, L, Keseru, G.M. | | 登録日 | 2023-08-03 | | 公開日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Mapping protein binding sites by photoreactive fragment pharmacophores
Res Sq, 2023
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8RU5
 | | ATPase family AAA domain containing 2 with crystallization epitope mutations V1022R:Q1027E | | 分子名称: | 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2 | | 著者 | Fairhead, M, Strain-Damerell, C, Ye, M, Mackinnon, S.R, Pinkas, D, MacLean, E.M, Koekemoer, L, Damerell, D, Krojer, T, Arrowsmith, C.H, Edwards, A, Bountra, C, Yue, W, Burgess-Brown, N, Marsden, B, von Delft, F, Structural Genomics Consortium (SGC) | | 登録日 | 2024-01-30 | | 公開日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | | 主引用文献 | A fast, parallel method for efficiently exploring crystallization behaviour of large numbers of protein variants
To Be Published
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8RU1
 | | Chromatin remodeling regulator CECR2 with in crystallo disulfide bond | | 分子名称: | Chromatin remodeling regulator CECR2, GLYCEROL, SODIUM ION | | 著者 | Fairhead, M, Strain-Damerell, C, Ye, M, Mackinnon, S.R, Pinkas, D, MacLean, E.M, Koekemoer, L, Damerell, D, Krojer, T, Arrowsmith, C.H, Edwards, A, Bountra, C, Yue, W, Burgess-Brown, N, Marsden, B, von Delft, F, Structural Genomics Consortium (SGC) | | 登録日 | 2024-01-29 | | 公開日 | 2024-03-06 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | A fast, parallel method for efficiently exploring crystallization behaviour of large numbers of protein variants
To Be Published
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8CIU
 | | The FERM domain of human moesin mutant H288A | | 分子名称: | Moesin | | 著者 | Bradshaw, W.J, Katis, V.L, Koekemoer, L, Bountra, C, von Delft, F, Brennan, P.E. | | 登録日 | 2023-02-10 | | 公開日 | 2023-03-01 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.393 Å) | | 主引用文献 | Discovery of FERM domain protein-protein interaction inhibitors for MSN and CD44 as a potential therapeutic approach for Alzheimer's disease.
J.Biol.Chem., 299, 2023
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8CIT
 | | The FERM domain of human moesin mutant L281R | | 分子名称: | Moesin | | 著者 | Bradshaw, W.J, Katis, V.L, Koekemoer, L, Bountra, C, von Delft, F, Brennan, P.E. | | 登録日 | 2023-02-10 | | 公開日 | 2023-03-01 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.536 Å) | | 主引用文献 | Discovery of FERM domain protein-protein interaction inhibitors for MSN and CD44 as a potential therapeutic approach for Alzheimer's disease.
J.Biol.Chem., 299, 2023
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8CNX
 | | Structure of Enterovirus D68 3C protease | | 分子名称: | Protease 3C | | 著者 | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | | 登録日 | 2023-02-24 | | 公開日 | 2023-04-05 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | Structure of EV D68 3C protease
To Be Published
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8CNY
 | | Structure of Enterovirus A71 3C protease | | 分子名称: | Protease 3C | | 著者 | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | | 登録日 | 2023-02-24 | | 公開日 | 2023-04-05 | | 最終更新日 | 2024-07-03 | | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | | 主引用文献 | Structure of EV D68 3C protease - to be published
To Be Published
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7GDP
 | | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with NAU-LAT-8502cac5-2 (Mpro-x11186) | | 分子名称: | (3S)-5-chloro-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-3-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE | | 著者 | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | | 登録日 | 2023-08-11 | | 公開日 | 2023-11-08 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.821 Å) | | 主引用文献 | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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7GB1
 | | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with STE-KUL-2e0d2e88-2 (Mpro-x10150) | | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-[2-(4-acetylpiperazin-1-yl)ethyl]naphthalene-1-carboxamide | | 著者 | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | | 登録日 | 2023-08-11 | | 公開日 | 2023-11-08 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.289 Å) | | 主引用文献 | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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7GE3
 | | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with TRY-UNI-714a760b-3 (Mpro-x11317) | | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-(5-amino-4-methylpyridin-3-yl)-2-(3-chlorophenyl)acetamide | | 著者 | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | | 登録日 | 2023-08-11 | | 公開日 | 2023-11-08 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.27 Å) | | 主引用文献 | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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7GBG
 | | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with JAN-GHE-83b26c96-1 (Mpro-x10329) | | 分子名称: | (2S)-2-(3-chlorophenyl)-N-(5-methylpyridazin-4-yl)butanamide, 3C-like proteinase, DIMETHYL SULFOXIDE | | 著者 | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | | 登録日 | 2023-08-11 | | 公開日 | 2023-11-08 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.461 Å) | | 主引用文献 | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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