6T7V
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![BU of 6t7v by Molmil](/molmil-images/mine/6t7v) | KEAP1 IN COMPLEX WITH PEPTIDE 8 | 分子名称: | ACETATE ION, Kelch-like ECH-associated protein 1, LEU-ASP-PRO-GLU-THR-GLY-GLU-PHE-LEU | 著者 | Colarusso, S. | 登録日 | 2019-10-23 | 公開日 | 2020-09-09 | 最終更新日 | 2020-10-28 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Optimization of linear and cyclic peptide inhibitors of KEAP1-NRF2 protein-protein interaction. Bioorg.Med.Chem., 28, 2020
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6FS1
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![BU of 6fs1 by Molmil](/molmil-images/mine/6fs1) | MCL1 in complex with an indole acid ligand | 分子名称: | 1,2-ETHANEDIOL, 7-[3-[(1,5-dimethylpyrazol-3-yl)methylsulfanylmethyl]-1,5-dimethyl-pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | 著者 | Kasmirski, S, Hargreaves, D. | 登録日 | 2018-02-18 | 公開日 | 2018-12-26 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Discovery of Mcl-1-specific inhibitor AZD5991 and preclinical activity in multiple myeloma and acute myeloid leukemia. Nat Commun, 9, 2018
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5NQ2
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![BU of 5nq2 by Molmil](/molmil-images/mine/5nq2) | 'Porcine (Sus scrofa) Major Histocompatibility Complex, class I, presenting IAYERMCNI | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, CALCIUM ION, ... | 著者 | Rizkallah, P.J, Tungatt, K, Sewell, A.K. | 登録日 | 2017-04-19 | 公開日 | 2018-04-25 | 最終更新日 | 2019-05-08 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | Induction of influenza-specific local CD8 T-cells in the respiratory tract after aerosol delivery of vaccine antigen or virus in the Babraham inbred pig. Plos Pathog., 14, 2018
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5M6F
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![BU of 5m6f by Molmil](/molmil-images/mine/5m6f) | Small Molecule inhibitors of IAP | 分子名称: | 1-[3,3-dimethyl-6-(phenylmethyl)-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{R},5~{R})-2-(methoxymethyl)-5-methyl-piperazin-4-ium-1-yl]ethanone, E3 ubiquitin-protein ligase XIAP, SODIUM ION, ... | 著者 | Williams, P.A. | 登録日 | 2016-10-25 | 公開日 | 2017-05-24 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | 主引用文献 | Discovery of a Potent Nonpeptidomimetic, Small-Molecule Antagonist of Cellular Inhibitor of Apoptosis Protein 1 (cIAP1) and X-Linked Inhibitor of Apoptosis Protein (XIAP). J. Med. Chem., 60, 2017
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5M6H
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![BU of 5m6h by Molmil](/molmil-images/mine/5m6h) | Small Molecule inhibitors of IAP | 分子名称: | 1-[3,3-dimethyl-6-(phenylmethyl)-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{R},5~{R})-5-methyl-2-morpholin-4-ylcarbonyl-piperazin-4-ium-1-yl]ethanone, E3 ubiquitin-protein ligase XIAP, SODIUM ION, ... | 著者 | Williams, P.A. | 登録日 | 2016-10-25 | 公開日 | 2017-05-24 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Discovery of a Potent Nonpeptidomimetic, Small-Molecule Antagonist of Cellular Inhibitor of Apoptosis Protein 1 (cIAP1) and X-Linked Inhibitor of Apoptosis Protein (XIAP). J. Med. Chem., 60, 2017
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5LSY
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![BU of 5lsy by Molmil](/molmil-images/mine/5lsy) | Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives | 分子名称: | Histone-lysine N-methyltransferase SETD2, THIOCYANATE ION, ZINC ION, ... | 著者 | Tisi, D, Pathuri, P, Heightman, T. | 登録日 | 2016-09-05 | 公開日 | 2016-10-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Structure of the Epigenetic Oncogene MMSET and Inhibition by N-Alkyl Sinefungin Derivatives. ACS Chem. Biol., 11, 2016
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5LT6
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![BU of 5lt6 by Molmil](/molmil-images/mine/5lt6) | Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives | 分子名称: | Histone-lysine N-methyltransferase SETD2, THIOCYANATE ION, ZINC ION, ... | 著者 | Tisi, D, Pathuri, P, Heightman, T. | 登録日 | 2016-09-06 | 公開日 | 2016-10-05 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Structure of the Epigenetic Oncogene MMSET and Inhibition by N-Alkyl Sinefungin Derivatives. ACS Chem. Biol., 11, 2016
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5LSS
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![BU of 5lss by Molmil](/molmil-images/mine/5lss) | |
1GKY
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![BU of 1gky by Molmil](/molmil-images/mine/1gky) | |
5NQ1
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![BU of 5nq1 by Molmil](/molmil-images/mine/5nq1) | Porcine (Sus scrofa) Major Histocompatibility Complex, class I, with human beta2 micro globulin, presenting DFEREGYSL | 分子名称: | 1,2-ETHANEDIOL, ASP-PHE-GLU-ARG-GLU-GLY-TYR-SER-LEU, Beta-2-microglobulin, ... | 著者 | Rizkallah, P.J, Tungatt, K, Sewell, A.K. | 登録日 | 2017-04-19 | 公開日 | 2018-04-25 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Induction of influenza-specific local CD8 T-cells in the respiratory tract after aerosol delivery of vaccine antigen or virus in the Babraham inbred pig. Plos Pathog., 14, 2018
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6FS2
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![BU of 6fs2 by Molmil](/molmil-images/mine/6fs2) | MCL1 in complex with indole acid ligand | 分子名称: | 7-(2-methylphenyl)-3-[3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propyl]-1~{H}-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | 著者 | Hargreaves, D. | 登録日 | 2018-02-18 | 公開日 | 2018-12-26 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Discovery of Mcl-1-specific inhibitor AZD5991 and preclinical activity in multiple myeloma and acute myeloid leukemia. Nat Commun, 9, 2018
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5NPZ
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![BU of 5npz by Molmil](/molmil-images/mine/5npz) | Porcine (Sus scrofa) Major Histocompatibility Complex, class I, presenting EFEDLTFLA | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ... | 著者 | Rizkallah, P.J, Tungatt, K, Sewell, A.K. | 登録日 | 2017-04-19 | 公開日 | 2018-05-02 | 最終更新日 | 2019-05-15 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | Induction of influenza-specific local CD8 T-cells in the respiratory tract after aerosol delivery of vaccine antigen or virus in the Babraham inbred pig. Plos Pathog., 14, 2018
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5LT8
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![BU of 5lt8 by Molmil](/molmil-images/mine/5lt8) | |
6FS0
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![BU of 6fs0 by Molmil](/molmil-images/mine/6fs0) | |
5LSX
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![BU of 5lsx by Molmil](/molmil-images/mine/5lsx) | Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives | 分子名称: | Histone-lysine N-methyltransferase SETD2, ZINC ION, [(2~{R},5~{S})-1-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-(phenylmethyl)azanium | 著者 | Tisi, D, Pathuri, P, Heightman, T. | 登録日 | 2016-09-05 | 公開日 | 2016-10-05 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structure of the Epigenetic Oncogene MMSET and Inhibition by N-Alkyl Sinefungin Derivatives. ACS Chem. Biol., 11, 2016
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1HBI
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5LSU
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![BU of 5lsu by Molmil](/molmil-images/mine/5lsu) | |
5LT7
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![BU of 5lt7 by Molmil](/molmil-images/mine/5lt7) | Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives | 分子名称: | Histone-lysine N-methyltransferase SETD2, THIOCYANATE ION, ZINC ION, ... | 著者 | Tisi, D, Pathuri, P, Heightman, T. | 登録日 | 2016-09-06 | 公開日 | 2016-10-05 | 最終更新日 | 2019-10-16 | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | 主引用文献 | Structure of the Epigenetic Oncogene MMSET and Inhibition by N-Alkyl Sinefungin Derivatives. ACS Chem. Biol., 11, 2016
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2PYB
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5NQ0
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![BU of 5nq0 by Molmil](/molmil-images/mine/5nq0) | Porcine (Sus scrofa) Major Histocompatibility Complex, class I, presenting DFEREGYSL | 分子名称: | 1,2-ETHANEDIOL, ASP-PHE-GLU-ARG-GLU-GLY-TYR-SER-LEU, Beta-2-microglobulin, ... | 著者 | Rizkallah, P.J, Tungatt, K, Sewell, A.K. | 登録日 | 2017-04-19 | 公開日 | 2018-04-25 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Induction of influenza-specific local CD8 T-cells in the respiratory tract after aerosol delivery of vaccine antigen or virus in the Babraham inbred pig. Plos Pathog., 14, 2018
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5NQ3
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![BU of 5nq3 by Molmil](/molmil-images/mine/5nq3) | 'Porcine (Sus scrofa) Major Histocompatibility Complex, class I, with human beta2 micro globulin, presenting EFEDLTFLA | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLU-PHE-GLU-ASP-LEU-THR-PHE-LEU-ALA, ... | 著者 | Rizkallah, P.J, Tungatt, K, Sewell, A.K. | 登録日 | 2017-04-19 | 公開日 | 2018-04-25 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | Induction of influenza-specific local CD8 T-cells in the respiratory tract after aerosol delivery of vaccine antigen or virus in the Babraham inbred pig. Plos Pathog., 14, 2018
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5O40
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![BU of 5o40 by Molmil](/molmil-images/mine/5o40) | SOD1 bound to Ebselen | 分子名称: | N-phenyl-2-selanylbenzamide, SULFATE ION, Superoxide dismutase [Cu-Zn], ... | 著者 | Capper, M.J, Wright, G.S.A, Antonyuk, S.V, Hasnain, S.S. | 登録日 | 2017-05-25 | 公開日 | 2018-06-13 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | The cysteine-reactive small molecule ebselen facilitates effective SOD1 maturation. Nat Commun, 9, 2018
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4GAF
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![BU of 4gaf by Molmil](/molmil-images/mine/4gaf) | Crystal structure of EBI-005, a chimera of human IL-1beta and IL-1Ra, bound to human Interleukin-1 receptor type 1 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, EBI-005, Interleukin-1 receptor type 1, ... | 著者 | Hou, J, Townson, S.A, Kovalchin, J.T, Masci, A, Kiner, O, Shu, Y, King, B, Thomas, C, Garcia, K.C, Furfine, E.S, Barnes, T.M. | 登録日 | 2012-07-25 | 公開日 | 2013-02-20 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Design of a superior cytokine antagonist for topical ophthalmic use. Proc.Natl.Acad.Sci.USA, 110, 2013
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8AV9
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![BU of 8av9 by Molmil](/molmil-images/mine/8av9) | INDUCED MYELOID LEUKEMIA CELL DIFFERENTIATION PROTEIN FABCOMPLEX IN COMPLEX WITH COMPOUND 1 | 分子名称: | (3R,6R,7S,8E,11S,12R,22S)-6'-chloro-7-methoxy-11,12-dimethyl-13,13-dioxo-spiro[20-oxa-13-gamma6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene-22,1'-tetralin]-15-one, Fab Heavy Chain, Fab Light Chain, ... | 著者 | Hargreaves, D. | 登録日 | 2022-08-26 | 公開日 | 2023-05-24 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Design of rigid protein-protein interaction inhibitors enables targeting of undruggable Mcl-1. Proc.Natl.Acad.Sci.USA, 120, 2023
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8AZR
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![BU of 8azr by Molmil](/molmil-images/mine/8azr) | KRAS in complex with precursor 1 | 分子名称: | (4~{S})-2-azanyl-4-[3-[6-[(2~{S})-2,4-dimethylpiperazin-1-yl]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile, 1,2-ETHANEDIOL, GTPase KRas, ... | 著者 | Boettcher, J, Herdeis, L. | 登録日 | 2022-09-06 | 公開日 | 2023-06-07 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Pan-KRAS inhibitor disables oncogenic signalling and tumour growth. Nature, 619, 2023
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