PDB: 5793 件ウェブページステータス検索Chemie searchBIRD

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8W0Q	Pembrolizumab CDR-H3 Loop Mimic 分子名称: Pembrolizumab CDR-H3 Loop Mimic 著者 Feig, M, Roche, S.P. 登録日 2024-02-14 公開日 2024-07-03 最終更新日 2024-07-31 実験手法 SOLUTION NMR 主引用文献 De Novo Synthesis and Structural Elucidation of CDR-H3 Loop Mimics. Acs Chem.Biol., 19, 2024
6CZH	Structure of a redesigned beta barrel, mFAP0, bound to DFHBI 分子名称: (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one, mFAP0 著者 Doyle, L.A, Stoddard, B.L. 登録日 2018-04-09 公開日 2018-09-19 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 De novo design of a fluorescence-activating beta-barrel. Nature, 561, 2018
6CZG	Structure of a redesigned beta barrel, b11L5F_LGL 分子名称: b11L5F_LGL 著者 Doyle, L.A, Stoddard, B.L. 登録日 2018-04-09 公開日 2018-09-19 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 De novo design of a fluorescence-activating beta-barrel. Nature, 561, 2018
6CZJ	Structure of a redesigned beta barrel, b10 分子名称: SULFATE ION, b10 著者 Doyle, L.A, Stoddard, B.L. 登録日 2018-04-09 公開日 2018-09-19 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 De novo design of a fluorescence-activating beta-barrel. Nature, 561, 2018
6CZI	Structure of a redesigned beta barrel, mFAP1, bound to DFHBI 分子名称: (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one, mFAP1 著者 Doyle, L.A, Stoddard, B.L. 登録日 2018-04-09 公開日 2018-09-19 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 De novo design of a fluorescence-activating beta-barrel. Nature, 561, 2018
8BFE	A dimeric de novo coiled-coil assembly: PK-2 (CC-TypeN-LaUbUcLd) 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, CC-TypeN-LaUbUcLd, ... 著者 Kumar, P, Paterson, N.G, Woolfson, D.N. 登録日 2022-10-25 公開日 2022-11-23 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 De novo design of discrete, stable 3 10 -helix peptide assemblies. Nature, 607, 2022
7RMX	Structure of De Novo designed tunable symmetric protein pockets 分子名称: Tunable symmetric protein, D_3_212 著者 Bera, A.K, Hicks, D.R, Kang, A, Sankaran, B, Baker, D. 登録日 2021-07-28 公開日 2022-08-03 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 De novo design of protein homodimers containing tunable symmetric protein pockets. Proc.Natl.Acad.Sci.USA, 119, 2022
8OYS	De novo designed TIM barrel fold TBF_24 分子名称: CHLORIDE ION, De novo designed TIM-barrel 著者 Pacesa, M, Correia, B.E. 登録日 2023-05-05 公開日 2023-10-18 最終更新日 2024-08-14 実験手法 X-RAY DIFFRACTION (1.34 Å) 主引用文献 Computational design of soluble and functional membrane protein analogues. Nature, 631, 2024
8OYY	De novo designed soluble GPCR-like fold GLF_32 分子名称: CHLORIDE ION, De novo designed soluble GPCR-like protein, POTASSIUM ION 著者 Pacesa, M, Correia, B.E. 登録日 2023-05-05 公開日 2023-10-18 最終更新日 2024-08-14 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Computational design of soluble and functional membrane protein analogues. Nature, 631, 2024
6R0V	Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with hydrolysis product of compound 4b 分子名称: 2-[[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyl]-4-nitro-benzoic acid, CHLORIDE ION, Cereblon isoform 4, ... 著者 Heim, C, Hartmann, M.D. 登録日 2019-03-13 公開日 2019-08-07 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives. J.Med.Chem., 62, 2019
6R0U	Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 5a and hydrolysis product 分子名称: 3-azanyl-2-[[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyl]benzoic acid, 4-azanyl-2-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]isoindole-1,3-dione, CHLORIDE ION, ... 著者 Heim, C, Hartmann, M.D. 登録日 2019-03-13 公開日 2019-08-07 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives. J.Med.Chem., 62, 2019
6R0S	Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 4a and hydrolysis product 分子名称: 2-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-4-nitro-isoindole-1,3-dione, 2-[[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyl]-6-nitro-benzoic acid, CEREBLON ISOFORM 4, ... 著者 Heim, C, Hartmann, M.D. 登録日 2019-03-13 公開日 2019-08-07 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives. J.Med.Chem., 62, 2019
6R0Q	Mutant cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with thalidomide metabolite alpha-(o-carboxybenzamido)glutarimide 分子名称: 2-[[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamoyl]benzoic acid, ALA-ALA-ALA, ALA-ALA-ALA-ALA, ... 著者 Heim, C, Hartmann, M.D. 登録日 2019-03-13 公開日 2019-08-07 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives. J.Med.Chem., 62, 2019
6R11	Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 5b 分子名称: 5-azanyl-2-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]isoindole-1,3-dione, CHLORIDE ION, Cereblon isoform 4, ... 著者 Heim, C, Hartmann, M.D. 登録日 2019-03-13 公開日 2019-08-07 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives. J.Med.Chem., 62, 2019
6R13	Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 7f 分子名称: CHLORIDE ION, Cereblon isoform 4, PHOSPHATE ION, ... 著者 Heim, C, Hartmann, M.D. 登録日 2019-03-13 公開日 2019-08-07 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives. J.Med.Chem., 62, 2019
6R12	Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 7b 分子名称: CHLORIDE ION, Cereblon isoform 4, PHOSPHATE ION, ... 著者 Heim, C, Hartmann, M.D. 登録日 2019-03-13 公開日 2019-08-07 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.74 Å) 主引用文献 De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives. J.Med.Chem., 62, 2019
6R18	Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 11a 分子名称: CHLORIDE ION, Cereblon isoform 4, PHOSPHATE ION, ... 著者 Heim, C, Hartmann, M.D. 登録日 2019-03-14 公開日 2019-08-07 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives. J.Med.Chem., 62, 2019
6R19	Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 20a 分子名称: Cereblon isoform 4, PHOSPHATE ION, S-Thalidomide, ... 著者 Heim, C, Hartmann, M.D. 登録日 2019-03-14 公開日 2019-08-07 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives. J.Med.Chem., 62, 2019
6R1A	Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 20b 分子名称: Cereblon isoform 4, PHOSPHATE ION, S-Thalidomide, ... 著者 Heim, C, Hartmann, M.D. 登録日 2019-03-14 公開日 2019-08-07 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.54 Å) 主引用文献 De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives. J.Med.Chem., 62, 2019
7QDK	A trimeric de novo coiled-coil assembly: CC-TypeN-LaLd 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CC-TypeN-LaLd, GLYCEROL, ... 著者 Kumar, P, Paterson, N.G, Woolfson, D.N. 登録日 2021-11-27 公開日 2022-04-27 最終更新日 2022-07-27 実験手法 X-RAY DIFFRACTION (1.41 Å) 主引用文献 De novo design of discrete, stable 3 10 -helix peptide assemblies. Nature, 607, 2022
6R1D	Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 7d, co-crystallized 分子名称: (phenylmethyl) ~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamate, Cereblon isoform 4, ZINC ION 著者 Heim, C, Hartmann, M.D. 登録日 2019-03-14 公開日 2019-08-07 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.1 Å) 主引用文献 De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives. J.Med.Chem., 62, 2019
6R1K	Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 7c 分子名称: Cereblon isoform 4, PHOSPHATE ION, ZINC ION, ... 著者 Heim, C, Hartmann, M.D. 登録日 2019-03-14 公開日 2019-08-07 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.94 Å) 主引用文献 De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives. J.Med.Chem., 62, 2019
6R1W	Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 16b 分子名称: (4-azanylcyclohexyl)methyl ~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamate, Cereblon isoform 4, PHOSPHATE ION, ... 著者 Heim, C, Hartmann, M.D. 登録日 2019-03-15 公開日 2019-08-07 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives. J.Med.Chem., 62, 2019
6R1X	Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 7a 分子名称: Cereblon isoform 4, ZINC ION, ~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-3-methyl-but-2-enamide 著者 Heim, C, Hartmann, M.D. 登録日 2019-03-15 公開日 2019-08-07 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives. J.Med.Chem., 62, 2019
6R1C	Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 12a 分子名称: 4-[[4-[[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyloxymethyl]phenyl]methylamino]-4-oxidanylidene-butanoic acid, ASPARTIC ACID, CHLORIDE ION, ... 著者 Heim, C, Hartmann, M.D. 登録日 2019-03-14 公開日 2019-08-07 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives. J.Med.Chem., 62, 2019

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