7P0R
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![BU of 7p0r by Molmil](/molmil-images/mine/7p0r) | Crystal structure of L-Trp/Indoleamine 2,3-dioxygenase (hIDO1) complex with the JK-loop refined in the intermediate conformation | 分子名称: | GLYCEROL, Indoleamine 2,3-dioxygenase 1, N'-Formylkynurenine, ... | 著者 | Mirgaux, M, Wouters, J. | 登録日 | 2021-06-30 | 公開日 | 2021-12-29 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Temporary Intermediates of L-Trp Along the Reaction Pathway of Human Indoleamine 2,3-Dioxygenase 1 and Identification of an Exo Site. Int J Tryptophan Res, 14, 2021
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5KPG
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![BU of 5kpg by Molmil](/molmil-images/mine/5kpg) | Pavine N-methyltransferase in complex with S-adenosylhomocysteine pH 7 | 分子名称: | Pavine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | 著者 | Torres, M.A, Hoffarth, E, Eugenio, L, Savtchouk, J, Chen, X, Morris, J, Facchini, P.J, Ng, K.K.S. | 登録日 | 2016-07-04 | 公開日 | 2016-09-07 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structural and Functional Studies of Pavine N-Methyltransferase from Thalictrum flavum Reveal Novel Insights into Substrate Recognition and Catalytic Mechanism. J.Biol.Chem., 291, 2016
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7P0N
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![BU of 7p0n by Molmil](/molmil-images/mine/7p0n) | Crystal structure of L-Trp/Indoleamine 2,3-dioxygenagse 1 (hIDO1) complex with the JK-loop refined in the open conformation | 分子名称: | CHLORIDE ION, GLYCEROL, Indoleamine 2,3-dioxygenase 1, ... | 著者 | Mirgaux, M, Wouters, J. | 登録日 | 2021-06-30 | 公開日 | 2021-12-29 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Temporary Intermediates of L-Trp Along the Reaction Pathway of Human Indoleamine 2,3-Dioxygenase 1 and Identification of an Exo Site. Int J Tryptophan Res, 14, 2021
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7VLP
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![BU of 7vlp by Molmil](/molmil-images/mine/7vlp) | Crystal structure of SARS-Cov-2 main protease in complex with PF07321332 in spacegroup P1211 | 分子名称: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, Replicase polyprotein 1a | 著者 | Zhou, X.L, Zhong, F.L, Lin, C, Li, J, Zhang, J. | 登録日 | 2021-10-05 | 公開日 | 2022-04-06 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.50251937 Å) | 主引用文献 | Structural Basis of the Main Proteases of Coronavirus Bound to Drug Candidate PF-07321332. J.Virol., 96, 2022
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6ILQ
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![BU of 6ilq by Molmil](/molmil-images/mine/6ilq) | Crystal structure of PPARgamma with compound BR101549 | 分子名称: | Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma, ethyl [2-butyl-6-oxo-1-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl}-4-(propan-2-yl)-1,6-dihydropyrimidin-5-yl]acetate | 著者 | Hong, E, Jang, T.H, Chin, J, Kim, K.H, Jung, W, Kim, S.H. | 登録日 | 2018-10-19 | 公開日 | 2019-09-11 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.408 Å) | 主引用文献 | Identification of BR101549 as a lead candidate of non-TZD PPAR gamma agonist for the treatment of type 2 diabetes: Proof-of-concept evaluation and SAR. Bioorg.Med.Chem.Lett., 29, 2019
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1IDK
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![BU of 1idk by Molmil](/molmil-images/mine/1idk) | PECTIN LYASE A | 分子名称: | PECTIN LYASE A | 著者 | Mayans, O, Scott, M, Connerton, I, Gravesen, T, Benen, J, Visser, J, Pickersgill, R, Jenkins, J. | 登録日 | 1996-10-04 | 公開日 | 1997-10-15 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Two crystal structures of pectin lyase A from Aspergillus reveal a pH driven conformational change and striking divergence in the substrate-binding clefts of pectin and pectate lyases. Structure, 5, 1997
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6IRD
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![BU of 6ird by Molmil](/molmil-images/mine/6ird) | Complex structure of INADL PDZ89 and PLCb4 C-terminal CC-PBM | 分子名称: | 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase, GOLD ION, InaD-like protein | 著者 | Ye, F, Li, J, Huang, Y, Liu, W, Zhang, M. | 登録日 | 2018-11-12 | 公開日 | 2019-01-23 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.813 Å) | 主引用文献 | An unexpected INAD PDZ tandem-mediated plc beta binding in Drosophila photo receptors. Elife, 7, 2018
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6ILD
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![BU of 6ild by Molmil](/molmil-images/mine/6ild) | Crystal Structure of Human LysRS: P38/AIMP2 Complex II | 分子名称: | 5'-O-[(S)-hydroxy(methyl)phosphoryl]adenosine, Aminoacyl tRNA synthase complex-interacting multifunctional protein 2, GLYCEROL, ... | 著者 | Hei, Z, Liu, Z, Wang, J, Fang, P. | 登録日 | 2018-10-17 | 公開日 | 2019-02-27 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.882 Å) | 主引用文献 | Retractile lysyl-tRNA synthetase-AIMP2 assembly in the human multi-aminoacyl-tRNA synthetase complex. J. Biol. Chem., 294, 2019
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2LXP
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![BU of 2lxp by Molmil](/molmil-images/mine/2lxp) | NMR structure of two domains in ubiquitin ligase gp78, RING and G2BR, bound to its conjugating enzyme Ube2g | 分子名称: | E3 ubiquitin-protein ligase AMFR, Ubiquitin-conjugating enzyme E2 G2, ZINC ION | 著者 | Das, R, Linag, Y, Mariano, J, Li, J, Huang, T, King, A, Weissman, A, Ji, X, Byrd, R. | 登録日 | 2012-08-30 | 公開日 | 2013-08-28 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Allosteric regulation of E2:E3 interactions promote a processive ubiquitination machine. Embo J., 32, 2013
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5X4S
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![BU of 5x4s by Molmil](/molmil-images/mine/5x4s) | Structure of the N-terminal domain (NTD)of SARS-CoV spike protein | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | 著者 | Yuan, Y, Zhang, Y, Qi, J, Shi, Y, Gao, G.F. | 登録日 | 2017-02-14 | 公開日 | 2017-05-03 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Cryo-EM structures of MERS-CoV and SARS-CoV spike glycoproteins reveal the dynamic receptor binding domains Nat Commun, 8, 2017
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7OXG
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![BU of 7oxg by Molmil](/molmil-images/mine/7oxg) | ttSlyD FKBP domain with M8A pseudo-wild-type S2 peptide | 分子名称: | 30S ribosomal protein S2, CHLORIDE ION, IMIDAZOLE, ... | 著者 | Pazicky, S, Lei, J, Loew, C. | 登録日 | 2021-06-22 | 公開日 | 2022-03-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Impact of distant peptide substrate residues on enzymatic activity of SlyD. Cell.Mol.Life Sci., 79, 2022
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7OXI
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![BU of 7oxi by Molmil](/molmil-images/mine/7oxi) | |
7OXH
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![BU of 7oxh by Molmil](/molmil-images/mine/7oxh) | ttSlyD with pseudo-wild-type S2 peptide | 分子名称: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 30S ribosomal protein S2, CHLORIDE ION, ... | 著者 | Pazicky, S, Lei, J, Loew, C. | 登録日 | 2021-06-22 | 公開日 | 2022-03-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Impact of distant peptide substrate residues on enzymatic activity of SlyD. Cell.Mol.Life Sci., 79, 2022
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7OXK
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7OXJ
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![BU of 7oxj by Molmil](/molmil-images/mine/7oxj) | ttSlyD with M8A pseudo-wild-type S2 peptide | 分子名称: | 30S ribosomal protein S2, CHLORIDE ION, Fragment of 30S ribosomal protein S2 peptide, ... | 著者 | Pazicky, S, Lei, J, Loew, C. | 登録日 | 2021-06-22 | 公開日 | 2022-03-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Impact of distant peptide substrate residues on enzymatic activity of SlyD. Cell.Mol.Life Sci., 79, 2022
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7OUO
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![BU of 7ouo by Molmil](/molmil-images/mine/7ouo) | Crystal structure of RNA duplex [UCGUGCGA]2 in complex with Ba2+ cation | 分子名称: | BARIUM ION, RNA (5'-R(*UP*CP*GP*UP*GP*CP*GP*A)-3') | 著者 | Ruszkowski, M, Mao, S, Zheng, Y.Y, Ruszkowska, A, Sheng, J. | 登録日 | 2021-06-12 | 公開日 | 2022-03-30 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.212 Å) | 主引用文献 | Structural Insights Into the 5'UG/3'GU Wobble Tandem in Complex With Ba 2+ Cation. Front Mol Biosci, 8, 2021
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7R75
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![BU of 7r75 by Molmil](/molmil-images/mine/7r75) | Structure of human SHP2 in complex with compound 16 | 分子名称: | 6-(4-amino-4-methylpiperidin-1-yl)-3-(3-chlorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, Tyrosine-protein phosphatase non-receptor type 11 | 著者 | Leonard, P.G, Cross, J. | 登録日 | 2021-06-24 | 公開日 | 2021-10-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.83 Å) | 主引用文献 | Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor. J.Med.Chem., 64, 2021
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7R7D
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![BU of 7r7d by Molmil](/molmil-images/mine/7r7d) | Structure of human SHP2 in complex with compound 22 | 分子名称: | 4-[6-(4-amino-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3-chloro-N-methylpyridin-2-amine, TETRAETHYLENE GLYCOL, Tyrosine-protein phosphatase non-receptor type 11 | 著者 | Leonard, P.G, Cross, J. | 登録日 | 2021-06-24 | 公開日 | 2021-10-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor. J.Med.Chem., 64, 2021
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7R7L
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![BU of 7r7l by Molmil](/molmil-images/mine/7r7l) | Structure of human SHP2 in complex with compound 30 | 分子名称: | 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methylpyrimidin-4(3H)-one, Tyrosine-protein phosphatase non-receptor type 11 | 著者 | Leonard, P.G, Cross, J. | 登録日 | 2021-06-24 | 公開日 | 2021-10-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor. J.Med.Chem., 64, 2021
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7R7I
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![BU of 7r7i by Molmil](/molmil-images/mine/7r7i) | Structure of human SHP2 in complex with compound 27 | 分子名称: | Tyrosine-protein phosphatase non-receptor type 11, [3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol | 著者 | Leonard, P.G, Cross, J. | 登録日 | 2021-06-24 | 公開日 | 2021-10-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor. J.Med.Chem., 64, 2021
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6ILT
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![BU of 6ilt by Molmil](/molmil-images/mine/6ilt) | Structure of Arabidopsis thaliana Ribokinase complexed with ATP and Magnesium ion | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Ribokinase, ... | 著者 | Kang, P, Oh, J, Rhee, S. | 登録日 | 2018-10-19 | 公開日 | 2019-03-13 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystal structure and mutational analyses of ribokinase from Arabidopsis thaliana. J. Struct. Biol., 206, 2019
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4Q9V
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![BU of 4q9v by Molmil](/molmil-images/mine/4q9v) | Crystal structure of TIPE3 | 分子名称: | CHLORIDE ION, SULFATE ION, Tumor necrosis factor alpha-induced protein 8-like protein 3 | 著者 | Wu, J, Zhang, X, Chen, Y.H, Shi, Y. | 登録日 | 2014-05-02 | 公開日 | 2014-10-22 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | TIPE3 Is the Transfer Protein of Lipid Second Messengers that Promote Cancer. Cancer Cell, 26, 2014
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4QEP
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![BU of 4qep by Molmil](/molmil-images/mine/4qep) | crystal structure of KRYPTONITE in complex with mCHG DNA and SAH | 分子名称: | DNA (5'-D(*AP*CP*TP*GP*CP*TP*GP*AP*GP*TP*AP*CP*CP*AP*T)-3'), DNA (5'-D(*GP*GP*TP*AP*CP*TP*(5CM)P*AP*GP*CP*AP*GP*TP*AP*T)-3'), Histone-lysine N-methyltransferase, ... | 著者 | Du, J, Li, S, Patel, D.J. | 登録日 | 2014-05-17 | 公開日 | 2014-07-30 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Mechanism of DNA Methylation-Directed Histone Methylation by KRYPTONITE. Mol.Cell, 55, 2014
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6IUT
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![BU of 6iut by Molmil](/molmil-images/mine/6iut) | Crystal structure of influenza A virus H5 hemagglutinin globular head in complex with the Fab of antibody AVFluIgG01 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, AVFluIgG01 Heavy Chain, ... | 著者 | Wang, P, Zuo, Y, Sun, J, Zhang, L, Wang, X. | 登録日 | 2018-11-30 | 公開日 | 2019-01-16 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural and functional definition of a vulnerable site on the hemagglutinin of highly pathogenic avian influenza A virus H5N1. J. Biol. Chem., 294, 2019
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4QEN
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![BU of 4qen by Molmil](/molmil-images/mine/4qen) | crystal structure of KRYPTONITE in complex with mCHH DNA and SAH | 分子名称: | DNA (5'-D(*AP*CP*TP*GP*AP*TP*GP*AP*GP*TP*AP*CP*CP*AP*T)-3'), DNA (5'-D(*GP*GP*TP*AP*CP*TP*(5CM)P*AP*TP*CP*AP*GP*TP*AP*T)-3'), Histone-lysine N-methyltransferase, ... | 著者 | Du, J, Li, S, Patel, D.J. | 登録日 | 2014-05-17 | 公開日 | 2014-07-30 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.002 Å) | 主引用文献 | Mechanism of DNA Methylation-Directed Histone Methylation by KRYPTONITE. Mol.Cell, 55, 2014
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