PDB: 30476 件ウェブページステータス検索Chemie searchBIRD

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5QLL	Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure C8_1) 分子名称: Thiol:disulfide interchange protein 著者 Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J. 登録日 2019-01-27 公開日 2020-02-05 最終更新日 2020-07-22 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
5QOT	PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with Z1592710382 分子名称: 1,2-ETHANEDIOL, 1-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-3-carboxamide, ACETATE ION, ... 著者 Nelson, E.R, Velupillai, S, Talon, R, Collins, P.M, Krojer, T, Wang, D, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Huber, K, von Delft, F. 登録日 2019-02-22 公開日 2019-05-08 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.68 Å) 主引用文献 PanDDA analysis group deposition To Be Published
5QM2	Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure D9_1) 分子名称: Thiol:disulfide interchange protein 著者 Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J. 登録日 2019-01-27 公開日 2020-02-05 最終更新日 2020-07-22 実験手法 X-RAY DIFFRACTION (1.919 Å) 主引用文献 Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
5QP8	PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with PB1787571279 分子名称: 1,2-ETHANEDIOL, ACETATE ION, DCP2 (NUDT20), ... 著者 Nelson, E.R, Velupillai, S, Talon, R, Collins, P.M, Krojer, T, Wang, D, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Huber, K, von Delft, F. 登録日 2019-02-22 公開日 2019-05-08 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.64 Å) 主引用文献 PanDDA analysis group deposition To Be Published
5QMQ	Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure F8_1) 分子名称: Thiol:disulfide interchange protein 著者 Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J. 登録日 2019-01-27 公開日 2020-02-05 最終更新日 2020-07-22 実験手法 X-RAY DIFFRACTION (1.897 Å) 主引用文献 Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
5QNA	Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure H4_1) 分子名称: Thiol:disulfide interchange protein 著者 Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J. 登録日 2019-01-27 公開日 2020-02-05 最終更新日 2020-07-22 実験手法 X-RAY DIFFRACTION (2.139 Å) 主引用文献 Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
5QPM	PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000500a 分子名称: 1-(4-fluorophenyl)-3-(3-hydroxyphenyl)urea, ACETATE ION, Farnesyl diphosphate synthase, ... 著者 Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. 登録日 2019-03-12 公開日 2020-04-29 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.68 Å) 主引用文献 PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
5QNP	Group deposition of apo datasets for PANDDA analysis - Crystal Structure of apo EcDsbA after initial refinement (apo_dataset_16) 分子名称: Thiol:disulfide interchange protein 著者 Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J. 登録日 2019-01-27 公開日 2020-02-05 最終更新日 2020-07-22 実験手法 X-RAY DIFFRACTION (1.67 Å) 主引用文献 Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
5QQB	PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOOA000676a 分子名称: 8-fluoranyl-5-methyl-1,2,3,6-tetrahydro-1,5-benzodiazocin-4-one, ACETATE ION, Farnesyl diphosphate synthase, ... 著者 Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. 登録日 2019-03-12 公開日 2020-04-29 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
5QO8	Group deposition of apo datasets for PANDDA analysis - Crystal Structure of apo EcDsbA after initial refinement (apo_dataset_38) 分子名称: Thiol:disulfide interchange protein 著者 Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J. 登録日 2019-01-27 公開日 2020-02-05 最終更新日 2020-07-22 実験手法 X-RAY DIFFRACTION (1.728 Å) 主引用文献 Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
5QQN	PanDDA analysis group deposition -- Crystal Structure of Kalirin/Rac1 in complex with MolPort-010-382-606 分子名称: 1,2-ETHANEDIOL, Kalirin, N-cyclopropyl-2-(4-{[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino}-1H-pyrazol-1-yl)acetamide, ... 著者 Gray, J.L, Krojer, T, Talon, R, Douangamath, A, Jimenez Antunez, C, Bountra, C, Arrowsmith, C.H, Edwards, A, Brennan, P.E, von Delft, F. 登録日 2019-05-03 公開日 2019-12-18 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.26 Å) 主引用文献 PanDDA analysis group deposition To Be Published
5QOK	PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with FMOPL000294a 分子名称: 1,2-ETHANEDIOL, 8-[(dimethylamino)methyl]-4-methyl-7-oxidanyl-chromen-2-one, ACETATE ION, ... 著者 Nelson, E.R, Velupillai, S, Talon, R, Collins, P.M, Krojer, T, Wang, D, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Huber, K, von Delft, F. 登録日 2019-02-22 公開日 2019-05-08 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.28 Å) 主引用文献 PanDDA analysis group deposition To Be Published
5QPG	PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000291a 分子名称: 3-(azepan-1-ylmethyl)-1~{H}-indole, ACETATE ION, Farnesyl diphosphate synthase, ... 著者 Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. 登録日 2019-03-12 公開日 2020-04-29 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
5QR1	PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z396380540 分子名称: 5-aminolevulinate synthase, erythroid-specific, mitochondrial, ... 著者 Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W. 登録日 2019-05-22 公開日 2019-08-07 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.44 Å) 主引用文献 PanDDA analysis group deposition To Be Published
5QPV	PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000416a 分子名称: (2~{S})-~{N}-(4-aminocarbonylphenyl)oxolane-2-carboxamide, Farnesyl diphosphate synthase, SULFATE ION, ... 著者 Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. 登録日 2019-03-12 公開日 2020-04-29 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 - FPPS screened against the DSI Fragment Library To Be Published
5QRH	PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z32327641 分子名称: CADMIUM ION, T-box transcription factor T, [4-(cyclopropanecarbonyl)piperazin-1-yl](furan-2-yl)methanone 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 (1.81 Å) 主引用文献 PanDDA analysis group deposition To Be Published
5Q6H	PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 154) 分子名称: DCLRE1A, MALONATE ION, NICKEL (II) ION 著者 Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. 登録日 2017-05-25 公開日 2018-08-08 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.42 Å) 主引用文献 PanDDA analysis group deposition To Be Published
5QQE	PanDDA analysis group deposition -- Crystal Structure of Kalirin/Rac1 in complex with MolPort-009-531-494 分子名称: 1,2-ETHANEDIOL, Kalirin, N-(5-methyl-1,2-oxazol-3-yl)-N'-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]urea, ... 著者 Gray, J.L, Krojer, T, Talon, R, Douangamath, A, Jimenez Antunez, C, Bountra, C, Arrowsmith, C.H, Edwards, A, Brennan, P.E, von Delft, F. 登録日 2019-05-03 公開日 2019-12-18 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 PanDDA analysis group deposition To Be Published
5Q6V	PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 168) 分子名称: DCLRE1A, MALONATE ION, NICKEL (II) ION 著者 Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. 登録日 2017-05-25 公開日 2018-08-08 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.29 Å) 主引用文献 PanDDA analysis group deposition To Be Published
5QQQ	PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z2856434857 分子名称: 3-[(thiomorpholin-4-yl)methyl]phenol, 5-aminolevulinate synthase, erythroid-specific, ... 著者 Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W. 登録日 2019-05-22 公開日 2019-08-07 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.93 Å) 主引用文献 PanDDA analysis group deposition To Be Published
5Q7C	PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 185) 分子名称: DCLRE1A, MALONATE ION, NICKEL (II) ION 著者 Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. 登録日 2017-05-25 公開日 2018-08-08 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 PanDDA analysis group deposition To Be Published
5QRA	PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z1101755952 分子名称: 5-aminolevulinate synthase, erythroid-specific, mitochondrial, ... 著者 Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W. 登録日 2019-05-22 公開日 2019-08-07 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.72 Å) 主引用文献 PanDDA analysis group deposition To Be Published
5Q7Z	PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 208) 分子名称: DCLRE1A, MALONATE ION, NICKEL (II) ION 著者 Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. 登録日 2017-05-25 公開日 2018-08-08 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
5QS7	PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z32327641 分子名称: T-box transcription factor T, [4-(cyclopropanecarbonyl)piperazin-1-yl](furan-2-yl)methanone 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 (1.66 Å) 主引用文献 PanDDA analysis group deposition To Be Published
5QME	Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure EDC_1) 分子名称: Thiol:disulfide interchange protein 著者 Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J. 登録日 2019-01-27 公開日 2020-02-05 最終更新日 2020-07-22 実験手法 X-RAY DIFFRACTION (1.83 Å) 主引用文献 Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020

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