5QSG
| PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z2856434903 | 分子名称: | N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide, T-box transcription factor T | 著者 | Newman, J.A, Gavard, A.E, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | 登録日 | 2019-05-25 | 公開日 | 2019-08-21 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5QSZ
| PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z1267773786 | 分子名称: | Cohesin subunit SA-1, N-ethyl-6-methylpyridazin-3-amine | 著者 | Newman, J.A, Katis, V.L, Gavard, A.E, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | 登録日 | 2019-05-25 | 公開日 | 2019-08-21 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (3.08 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5QS8
| PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z1432018343 | 分子名称: | (2S)-2-[(5-chloro-3-fluoropyridin-2-yl)amino]propan-1-ol, T-box transcription factor T | 著者 | Newman, J.A, Gavard, A.E, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | 登録日 | 2019-05-25 | 公開日 | 2019-08-21 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5QST
| PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z2447286438 | 分子名称: | (3S)-N-methyl-N-phenylpyrrolidine-3-carboxamide, Cohesin subunit SA-1 | 著者 | Newman, J.A, Katis, V.L, Gavard, A.E, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | 登録日 | 2019-05-25 | 公開日 | 2019-08-21 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5H8N
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5QRP
| PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z2442270563 | 分子名称: | 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine, CADMIUM ION, T-box transcription factor T | 著者 | Newman, J.A, Gavard, A.E, Fernandez-Cid, A, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | 登録日 | 2019-05-25 | 公開日 | 2019-07-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5QRU
| PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z235341991 | 分子名称: | CADMIUM ION, N-(2-methoxy-5-methylphenyl)glycinamide, T-box transcription factor T | 著者 | Newman, J.A, Gavard, A.E, Fernandez-Cid, A, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | 登録日 | 2019-05-25 | 公開日 | 2019-07-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5QRZ
| PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z1998104358 | 分子名称: | (5R)-N,N-dimethyl-2,9-dioxa-6-azaspiro[4.5]decane-6-carboxamide, CADMIUM ION, T-box transcription factor T | 著者 | Newman, J.A, Gavard, A.E, Fernandez-Cid, A, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | 登録日 | 2019-05-25 | 公開日 | 2019-07-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5QS4
| PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z30820160 | 分子名称: | CADMIUM ION, N-(4-methyl-1,3-thiazol-2-yl)propanamide, T-box transcription factor T | 著者 | Newman, J.A, Gavard, A.E, Fernandez-Cid, A, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | 登録日 | 2019-05-25 | 公開日 | 2019-07-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5QSM
| PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z57261895 | 分子名称: | 2-cyclohexyl-N-(4H-1,2,4-triazol-4-yl)acetamide, Cohesin subunit SA-1 | 著者 | Newman, J.A, Katis, V.L, Gavard, A.E, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | 登録日 | 2019-05-25 | 公開日 | 2019-08-21 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5QRQ
| PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z645232558 | 分子名称: | CADMIUM ION, T-box transcription factor T, [1-(pyrimidin-2-yl)piperidin-4-yl]methanol | 著者 | Newman, J.A, Gavard, A.E, Fernandez-Cid, A, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | 登録日 | 2019-05-25 | 公開日 | 2019-07-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5QRV
| PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z198194396 | 分子名称: | 4-(furan-2-carbonyl)piperazine-1-carboxamide, CADMIUM ION, T-box transcription factor T | 著者 | Newman, J.A, Gavard, A.E, Fernandez-Cid, A, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | 登録日 | 2019-05-25 | 公開日 | 2019-07-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5QS0
| PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z274555794 | 分子名称: | CADMIUM ION, N-(3-acetylphenyl)morpholine-4-carboxamide, T-box transcription factor T | 著者 | Newman, J.A, Gavard, A.E, Fernandez-Cid, A, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | 登録日 | 2019-05-25 | 公開日 | 2019-07-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5QSJ
| PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z198194394 | 分子名称: | 4-(4-fluorophenyl)piperazine-1-carboxamide, T-box transcription factor T | 著者 | Newman, J.A, Gavard, A.E, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | 登録日 | 2019-05-25 | 公開日 | 2019-08-21 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5QSX
| PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z2856434812 | 分子名称: | 4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]phenol, Cohesin subunit SA-1 | 著者 | Newman, J.A, Katis, V.L, Gavard, A.E, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | 登録日 | 2019-07-16 | 公開日 | 2019-08-21 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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1LCC
| STRUCTURE OF THE COMPLEX OF LAC REPRESSOR HEADPIECE AND AN 11 BASE-PAIR HALF-OPERATOR DETERMINED BY NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY AND RESTRAINED MOLECULAR DYNAMICS | 分子名称: | DNA (5'-D(*AP*AP*TP*TP*GP*TP*GP*AP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*TP*CP*AP*CP*AP*AP*TP*T)-3'), Lac Repressor, ... | 著者 | Chuprina, V.P, Rullmann, J.A.C, Lamerichs, R.M.J.N, Van Boom, J.H, Boelens, R, Kaptein, R. | 登録日 | 1993-03-25 | 公開日 | 1994-01-31 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Structure of the complex of lac repressor headpiece and an 11 base-pair half-operator determined by nuclear magnetic resonance spectroscopy and restrained molecular dynamics. J.Mol.Biol., 234, 1993
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1LCD
| STRUCTURE OF THE COMPLEX OF LAC REPRESSOR HEADPIECE AND AN 11 BASE-PAIR HALF-OPERATOR DETERMINED BY NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY AND RESTRAINED MOLECULAR DYNAMICS | 分子名称: | DNA (5'-D(*AP*AP*TP*TP*GP*TP*GP*AP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*TP*CP*AP*CP*AP*AP*TP*T)-3'), Lac Repressor, ... | 著者 | Chuprina, V.P, Rullmann, J.A.C, Lamerichs, R.M.J.N, Van Boom, J.H, Boelens, R, Kaptein, R. | 登録日 | 1993-03-25 | 公開日 | 1994-01-31 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Structure of the complex of lac repressor headpiece and an 11 base-pair half-operator determined by nuclear magnetic resonance spectroscopy and restrained molecular dynamics. J.Mol.Biol., 234, 1993
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5DUC
| Crystal structure of M. tuberculosis EchA6 bound to ligand GSK951A | 分子名称: | (5R,7S)-N-(1,3-benzodioxol-5-ylmethyl)-5-(4-ethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, Probable enoyl-CoA hydratase echA6 | 著者 | Cox, J.A.G, Besra, G.S, Futterer, K. | 登録日 | 2015-09-18 | 公開日 | 2016-01-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.704 Å) | 主引用文献 | THPP target assignment reveals EchA6 as an essential fatty acid shuttle in mycobacteria. Nat Microbiol, 1, 2016
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5DUF
| Crystal structure of M. tuberculosis EchA6 bound to ligand GSK729A | 分子名称: | (5R,7S)-5-(4-ethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid, Probable enoyl-CoA hydratase echA6 | 著者 | Cox, J.A.G, Besra, G.S, Futterer, K. | 登録日 | 2015-09-18 | 公開日 | 2016-01-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | THPP target assignment reveals EchA6 as an essential fatty acid shuttle in mycobacteria. Nat Microbiol, 1, 2016
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2WKW
| Alcaligenes esterase complexed with product analogue | 分子名称: | CARBOXYLESTERASE, GLYCEROL, SULFATE ION, ... | 著者 | Bourne, P.C, Isupov, M.N, Littlechild, J.A. | 登録日 | 2009-06-18 | 公開日 | 2009-06-30 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | The Atomic-Resolution Structure of a Novel Bacterial Esterase. Structure, 8, 2000
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1H1R
| Structure of human Thr160-phospho CDK2/cyclin A complexed with the inhibitor NU6086 | 分子名称: | 6-CYCLOHEXYLMETHOXY-2-(3'-CHLOROANILINO) PURINE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2 | 著者 | Davies, T.G, Noble, M.E.M, Endicott, J.A, Johnson, L.N. | 登録日 | 2002-07-21 | 公開日 | 2002-09-19 | 最終更新日 | 2019-10-02 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure-based design of a potent purine-based cyclin-dependent kinase inhibitor. Nat. Struct. Biol., 9, 2002
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8S9K
| Structure of dimeric FAM111A SPD S541A Mutant | 分子名称: | GLYCEROL, Serine protease FAM111A | 著者 | Palani, S, Alvey, J.A, Cong, A.T.Q, Schellenberg, M.J, Machida, Y. | 登録日 | 2023-03-29 | 公開日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.72 Å) | 主引用文献 | Dimerization-dependent serine protease activity of FAM111A prevents replication fork stalling at topoisomerase 1 cleavage complexes. Nat Commun, 15, 2024
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5RLJ
| PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1407673036 | 分子名称: | (2S)-2-phenylpropane-1-sulfonamide, Helicase, PHOSPHATE ION, ... | 著者 | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | 登録日 | 2020-09-16 | 公開日 | 2020-09-30 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.879 Å) | 主引用文献 | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
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5RM2
| PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1741964527 | 分子名称: | 1-(diphenylmethyl)azetidin-3-ol, Helicase, PHOSPHATE ION, ... | 著者 | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | 登録日 | 2020-09-16 | 公開日 | 2020-09-30 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
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5DU6
| Crystal structure of M. tuberculosis EchA6 bound to ligand GSK059A. | 分子名称: | (5R,7R)-5-(4-ethylphenyl)-N-(4-fluorobenzyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, Probable enoyl-CoA hydratase echA6 | 著者 | Cox, J.A.G, Besra, G.S, Futterer, K. | 登録日 | 2015-09-18 | 公開日 | 2016-01-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | 主引用文献 | THPP target assignment reveals EchA6 as an essential fatty acid shuttle in mycobacteria. Nat Microbiol, 1, 2016
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