5IT3
 
 | | Swirm domain of human Lsd1 | | 分子名称: | Lysine-specific histone demethylase 1A, MAGNESIUM ION | | 著者 | Jeffrey, P.D, Yuan, P. | | 登録日 | 2016-03-16 | | 公開日 | 2016-05-18 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | A Tlx-interacting peptide of Lsd1 inhibits the proliferation of brain tumor stem cells
To Be Published
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7QUB
 | | EV-A71-3Cpro in complex with inhibitor MG78 | | 分子名称: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, Protease 3C, SODIUM ION | | 著者 | El Kilani, H, Hilgenfeld, R. | | 登録日 | 2022-01-17 | | 公開日 | 2022-04-27 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | From Repurposing to Redesign: Optimization of Boceprevir to Highly Potent Inhibitors of the SARS-CoV-2 Main Protease.
Molecules, 27, 2022
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6ZCM
 | | Crystal structure of YTHDC1 with compound DHU_DC1_180 | | 分子名称: | 6-[[cyclopropyl-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]amino]methyl]-1~{H}-pyrimidine-2,4-dione, SULFATE ION, YTHDC1 | | 著者 | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | | 登録日 | 2020-06-11 | | 公開日 | 2020-07-29 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | | 主引用文献 | Atomistic and Thermodynamic Analysis of N6-Methyladenosine (m 6 A) Recognition by the Reader Domain of YTHDC1.
J Chem Theory Comput, 17, 2021
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6ZD3
 | | Crystal structure of YTHDC1 M438A mutant | | 分子名称: | DI(HYDROXYETHYL)ETHER, SULFATE ION, YTH domain containing 1 | | 著者 | Bedi, R.K, Li, Y, Caflisch, A. | | 登録日 | 2020-06-13 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Atomistic and Thermodynamic Analysis of N6-Methyladenosine (m 6 A) Recognition by the Reader Domain of YTHDC1.
J Chem Theory Comput, 17, 2021
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6ZD5
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6ZDA
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6ZD8
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7B83
 | | Structure of SARS-CoV-2 Main Protease bound to pyrithione zinc | | 分子名称: | 3C-like proteinase, 9-oxa-7-thia-1-azonia-8$l^{2}-zincabicyclo[4.3.0]nona-1,3,5-triene, CHLORIDE ION, ... | | 著者 | Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | | 登録日 | 2020-12-12 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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7AQE
 | | Structure of SARS-CoV-2 Main Protease bound to UNC-2327 | | 分子名称: | 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Guenther, S, Reinke, P, Meents, A. | | 登録日 | 2020-10-21 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | | 主引用文献 | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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7YC9
 | | Co-crystal structure of BTK kinase domain with inhibitor | | 分子名称: | (7~{S})-2-(4-bromanyl-3,5-dimethoxy-phenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, Tyrosine-protein kinase BTK | | 著者 | Zhou, X. | | 登録日 | 2022-07-01 | | 公開日 | 2023-05-17 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Discovery of BGB-8035, a Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase for B-Cell Malignancies and Autoimmune Diseases.
J.Med.Chem., 66, 2023
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9DVA
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7T69
 | | Crystal structure of Avr3 (SIX1) from Fusarium oxysporum f. sp. lycopersici | | 分子名称: | Avr3 (SIX1), Secreted in xylem 1, SULFATE ION | | 著者 | Yu, D.S, Outram, M.A, Ericsson, D.J, Jones, D.A, Williams, S.J. | | 登録日 | 2021-12-13 | | 公開日 | 2023-01-11 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | The structural repertoire of Fusarium oxysporum f. sp. lycopersici effectors revealed by experimental and computational studies
Elife, 2023
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7T6A
 | | Crystal structure of Avr1 (SIX4) from Fusarium oxysporum f. sp. lycopersici | | 分子名称: | Avr1 (FolSIX4), Avirulence protein 1, Avr1 (SIX4), ... | | 著者 | Yu, D.S, Outram, M.A, Ericsson, D.J, Jones, D.A, Williams, S.J. | | 登録日 | 2021-12-13 | | 公開日 | 2023-01-11 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | The structural repertoire of Fusarium oxysporum f. sp. lycopersici effectors revealed by experimental and computational studies
Elife, 2023
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4MKC
 | | Crystal Structure of Anaplastic Lymphoma Kinase Complexed with LDK378 | | 分子名称: | 5-chloro-N~2~-[5-methyl-4-(piperidin-4-yl)-2-(propan-2-yloxy)phenyl]-N~4~-[2-(propan-2-ylsulfonyl)phenyl]pyrimidine-2,4-diamine, ALK tyrosine kinase receptor, GLYCEROL | | 著者 | Lee, C.C, Spraggon, G. | | 登録日 | 2013-09-04 | | 公開日 | 2014-04-09 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | The ALK Inhibitor Ceritinib Overcomes Crizotinib Resistance in Non-Small Cell Lung Cancer.
Cancer Discov, 4, 2014
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5J5T
 | | GLK co-crystal structure with aminopyrrolopyrimidine inhibitor | | 分子名称: | 5-[2-(piperidin-4-yl)-1,3-thiazol-5-yl]-3-[(pyridin-4-yl)methoxy]pyridin-2-amine, Mitogen-activated protein kinase kinase kinase kinase 3 | | 著者 | Silvian, L.F, Marcotte, D. | | 登録日 | 2016-04-03 | | 公開日 | 2016-10-26 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Germinal-center kinase-like kinase co-crystal structure reveals a swapped activation loop and C-terminal extension.
Protein Sci., 26, 2017
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7CWL
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7CWM
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7CWN
 | | P17-H014 Fab cocktail in complex with SARS-CoV-2 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 | Wang, N, Wang, X. | | 登録日 | 2020-08-29 | | 公開日 | 2020-12-16 | | 最終更新日 | 2024-11-06 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Rational development of a human antibody cocktail that deploys multiple functions to confer Pan-SARS-CoVs protection.
Cell Res., 31, 2021
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3MTS
 | | Chromo Domain of Human Histone-Lysine N-Methyltransferase SUV39H1 | | 分子名称: | Histone-lysine N-methyltransferase SUV39H1 | | 著者 | Lam, R, Li, Z, Wang, J, Crombet, L, Walker, J.R, Ouyang, H, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | | 登録日 | 2010-04-30 | | 公開日 | 2010-06-30 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystal Structure of the Human SUV39H1 Chromodomain and Its Recognition of Histone H3K9me2/3.
Plos One, 7, 2012
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6C68
 | | MHC-independent t cell receptor A11 | | 分子名称: | T-cell receptor alpha chain, T-cell receptor beta chain | | 著者 | Lu, J, Van Laethem, F, Saba, I, Chu, J, Bhattacharya, A, Love, N.C, Tikhonova, A, Radaev, S, Sun, X, Ko, A, Arnon, T, Shifrut, E, Friedman, N, Weng, N, Singer, A, Sun, P.D. | | 登録日 | 2018-01-18 | | 公開日 | 2019-01-30 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | | 主引用文献 | Structure of MHC-Independent TCRs and Their Recognition of Native Antigen CD155.
J Immunol., 204, 2020
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7XDQ
 | | Crystal structure of a glucosylglycerol phosphorylase mutant from Marinobacter adhaerens | | 分子名称: | Glucosylglycerol phosphorylase, LITHIUM ION, beta-D-glucopyranose | | 著者 | Wei, H.L, Li, Q, Yang, J.G, Liu, W.D, Sun, Y.X. | | 登録日 | 2022-03-28 | | 公開日 | 2023-02-08 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.83 Å) | | 主引用文献 | Protein Engineering of Glucosylglycerol Phosphorylase Facilitating Efficient and Highly Regio- and Stereoselective Glycosylation of Polyols in a Synthetic System.
Acs Catalysis, 2022
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7XDR
 | | Crystal structure of a glucosylglycerol phosphorylase from Marinobacter adhaerens | | 分子名称: | Glucosylglycerol phosphorylase | | 著者 | Wei, H.L, Li, Q, Yang, J.G, Liu, W.D, Sun, Y.X. | | 登録日 | 2022-03-28 | | 公開日 | 2023-02-08 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Protein Engineering of Glucosylglycerol Phosphorylase Facilitating Efficient and Highly Regio- and Stereoselective Glycosylation of Polyols in a Synthetic System.
Acs Catalysis, 2022
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7CWO
 | | SARS-CoV-2 spike protein RBD and P17 fab complex | | 分子名称: | Spike glycoprotein, heavy chain of P17 Fab, light chain of P17 Fab | | 著者 | Wang, X, Wang, N. | | 登録日 | 2020-08-29 | | 公開日 | 2020-12-16 | | 最終更新日 | 2025-06-18 | | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | | 主引用文献 | Rational development of a human antibody cocktail that deploys multiple functions to confer Pan-SARS-CoVs protection.
Cell Res., 31, 2021
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5VEB
 | | Crystal structure of a Fab binding to extracellular domain 5 of Cadherin-6 | | 分子名称: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, Cadherin-6, anti-CDH6 Fab heavy chain, ... | | 著者 | Zhu, X, Bialucha, C.U, London, A, Clark, K, Hu, T. | | 登録日 | 2017-04-04 | | 公開日 | 2017-06-07 | | 最終更新日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | | 主引用文献 | Discovery and Optimization of HKT288, a Cadherin-6-Targeting ADC for the Treatment of Ovarian and Renal Cancers.
Cancer Discov, 7, 2017
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8YNZ
 | | The structure of EfpA_BRD-8000.3 complex | | 分子名称: | (1S,3S)-N-[6-bromo-5-(pyrimidin-2-yl)pyridin-2-yl]-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxamide, Uncharacterized MFS-type transporter EfpA | | 著者 | Li, D.L, Sun, J.Q. | | 登録日 | 2024-03-12 | | 公開日 | 2024-12-04 | | 実験手法 | ELECTRON MICROSCOPY (3.41 Å) | | 主引用文献 | Structure and function of Mycobacterium tuberculosis EfpA as a lipid transporter and its inhibition by BRD-8000.3.
Proc.Natl.Acad.Sci.USA, 121, 2024
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