6OAC
 
 | | PQR530 [(S)-4-(Difluoromethyl)-5-(4-(3-methylmorpholino)-6-morpholino-1,3,5-triazin-2-yl)pyridin-2-amine] bound to the PI3Ka catalytic subunit p110alpha | | 分子名称: | 4-(difluoromethyl)-5-{4-[(3S)-3-methylmorpholin-4-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}pyridin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | 著者 | Burke, J.E, McPhail, J.A. | | 登録日 | 2019-03-15 | | 公開日 | 2019-06-26 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | | 主引用文献 | (S)-4-(Difluoromethyl)-5-(4-(3-methylmorpholino)-6-morpholino-1,3,5-triazin-2-yl)pyridin-2-amine (PQR530), a Potent, Orally Bioavailable, and Brain-Penetrable Dual Inhibitor of Class I PI3K and mTOR Kinase.
J.Med.Chem., 62, 2019
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6QWG
 | | Serial Femtosecond Crystallography Structure of Cu Nitrite Reductase from Achromobacter cycloclastes: Nitrite complex at Room Temperature | | 分子名称: | COPPER (II) ION, Copper-containing nitrite reductase, NITRITE ION | | 著者 | Ebrahim, A.E, Moreno-Chicano, T, Appleby, M.V, Worrall, J.W, Duyvesteyn, H.M.E, Strange, R.W, Beale, J, Axford, D, Sherrell, D.A, Sugimoto, H, Owada, S, Tono, K, Owen, R.L. | | 登録日 | 2019-03-05 | | 公開日 | 2019-11-20 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | High-throughput structures of protein-ligand complexes at room temperature using serial femtosecond crystallography.
Iucrj, 6, 2019
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6QXJ
 | | Structure of MBP-Mcl-1 in complex with compound 6a | | 分子名称: | (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-5-yl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid, Maltose-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, SODIUM ION, ... | | 著者 | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | | 登録日 | 2019-03-07 | | 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 | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity.
J.Med.Chem., 62, 2019
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6OCC
 | | JAK2 JH2 in complex with JAK190 | | 分子名称: | 2-[4-({5-amino-3-[(4-sulfamoylphenyl)amino]-1H-1,2,4-triazole-1-carbonyl}amino)phenyl]-1,3-oxazole-4-carboxylic acid, GLYCEROL, Tyrosine-protein kinase JAK2 | | 著者 | Krimmer, S.G, Liosi, M.E, Schlessinger, J, Jorgensen, W.L. | | 登録日 | 2019-03-22 | | 公開日 | 2020-03-25 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Selective Janus Kinase 2 (JAK2) Pseudokinase Ligands with a Diaminotriazole Core.
J.Med.Chem., 63, 2020
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8P0W
 | | Structure of the human Commander complex COMMD ring | | 分子名称: | COMM domain-containing protein 1, COMM domain-containing protein 10, COMM domain-containing protein 2, ... | | 著者 | Kumpula, E.P, Laulumaa, S, Huiskonen, J.T. | | 登録日 | 2023-05-11 | | 公開日 | 2024-03-20 | | 最終更新日 | 2024-07-03 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Structure and interactions of the endogenous human Commander complex.
Nat.Struct.Mol.Biol., 31, 2024
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8P0X
 | | Structure of the human Commander complex Retriever Subcomplex | | 分子名称: | Coiled-coil domain-containing protein 22, Coiled-coil domain-containing protein 93, VPS35 endosomal protein-sorting factor-like, ... | | 著者 | Kumpula, E.P, Laulumaa, S, Huiskonen, J.T. | | 登録日 | 2023-05-11 | | 公開日 | 2024-03-20 | | 最終更新日 | 2024-07-03 | | 実験手法 | ELECTRON MICROSCOPY (7.5 Å) | | 主引用文献 | Structure and interactions of the endogenous human Commander complex.
Nat.Struct.Mol.Biol., 31, 2024
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6GJU
 | | human NBD1 of CFTR in complex with nanobodies T2a and T4 | | 分子名称: | Cystic fibrosis transmembrane conductance regulator, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | 著者 | Sigoillot, M, Overtus, M, Grodecka, M, Scholl, D, Garcia-Pino, A, Laeremans, T, He, L, Pardon, E, Hildebrandt, E, Urbatsch, I, Steyaert, J, Riordan, J.R, Govaerts, C. | | 登録日 | 2018-05-17 | | 公開日 | 2019-06-26 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Domain-interface dynamics of CFTR revealed by stabilizing nanobodies.
Nat Commun, 10, 2019
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7AWU
 | | Structure of SARS-CoV-2 Main Protease bound to LSN2463359. | | 分子名称: | 3C-like proteinase, CHLORIDE ION, ~{N}-propan-2-yl-5-(2-pyridin-4-ylethynyl)pyridine-2-carboxamide | | 著者 | Ewert, W, 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 | 2020-11-09 | | 公開日 | 2020-12-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.07 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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1HNW
 | | STRUCTURE OF THE THERMUS THERMOPHILUS 30S RIBOSOMAL SUBUNIT IN COMPLEX WITH TETRACYCLINE | | 分子名称: | 16S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ... | | 著者 | Brodersen, D.E, Clemons Jr, W.M, Carter, A.P, Morgan-Warren, R, Wimberly, B.T, Ramakrishnan, V. | | 登録日 | 2000-12-08 | | 公開日 | 2001-02-21 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | | 主引用文献 | The structural basis for the action of the antibiotics tetracycline, pactamycin, and hygromycin B on the 30S ribosomal subunit.
Cell(Cambridge,Mass.), 103, 2000
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1LH2
 | | X-RAY STRUCTURAL INVESTIGATION OF LEGHEMOGLOBIN. VI. STRUCTURE OF ACETATE-FERRILEGHEMOGLOBIN AT A RESOLUTION OF 2.0 ANGSTROMS (RUSSIAN) | | 分子名称: | LEGHEMOGLOBIN (AQUO MET), PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Vainshtein, B.K, Harutyunyan, E.H, Kuranova, I.P, Borisov, V.V, Sosfenov, N.I, Pavlovsky, A.G, Grebenko, A.I, Konareva, N.V. | | 登録日 | 1982-04-23 | | 公開日 | 1983-01-20 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | X-Ray Structural Investigation of Leghemoglobin. Vi. Structure of Acetate-Ferrileghemoglobin at a Resolution of 2.0 Angstroms (Russian)
Kristallografiya, 25, 1980
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6OIS
 | | CryoEM structure of Arabidopsis DR complex (DMS3-RDM1) | | 分子名称: | Protein DEFECTIVE IN MERISTEM SILENCING 3, Protein RDM1 | | 著者 | Wongpalee, S.P, Liu, S, Zhou, Z.H, Jacobsen, S.E. | | 登録日 | 2019-04-09 | | 公開日 | 2019-07-24 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | CryoEM structures of Arabidopsis DDR complexes involved in RNA-directed DNA methylation.
Nat Commun, 10, 2019
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6OJ4
 | | In situ structure of rotavirus VP1 RNA-dependent RNA polymerase (DLP) | | 分子名称: | Inner capsid protein VP2, RNA-directed RNA polymerase | | 著者 | Jenni, S, Salgado, E.N, Herrmann, T, Li, Z, Grant, T, Grigorieff, N, Trapani, S, Estrozi, L.F, Harrison, S.C. | | 登録日 | 2019-04-10 | | 公開日 | 2019-04-24 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | In situ Structure of Rotavirus VP1 RNA-Dependent RNA Polymerase.
J.Mol.Biol., 431, 2019
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1GV6
 | | Solution structure of alfa-L-LNA:DNA duplex | | 分子名称: | 5- D(*CP*(ATL)P*GP*CP*(ATL)P*(ATL)P*CP*(ATL)P* GP*C) -3, 5- D(*GP*CP*AP*GP*AP*AP*GP*CP*AP*G) -3 | | 著者 | Nielsen, K.M.E, Petersen, M, Haakansson, A.E, Wengel, J, Jacobsen, J.P. | | 登録日 | 2002-02-06 | | 公開日 | 2002-07-05 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Alfa-L-Lna (Alfa-L-Ribo Configured Locked Nucleic Acid) Recognition of DNA: An NMR Spectroscopic Study
Chemistry, 8, 2002
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7UVB
 | | CRYSTAL STRUCTURE OF CARBONMONOXY HEMOGLOBIN S (LIGANDED SICKLE CELL HEMOGLOBIN) COMPLEXED WITH GBT021601 | | 分子名称: | 2-hydroxy-6-({(3S)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]morpholin-3-yl}methoxy)benzaldehyde, FORMYL GROUP, Hemoglobin subunit alpha, ... | | 著者 | Partridge, J.R, Kaya, E, Xu, Q, Li, Z, Strutt, S.C, Cathers, B.E. | | 登録日 | 2022-04-29 | | 公開日 | 2023-04-05 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | GBT021601 improves red blood cell health and the pathophysiology of sickle cell disease in a murine model.
Br.J.Haematol., 202, 2023
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7AQJ
 | | Structure of SARS-CoV-2 Main Protease bound to Triglycidyl isocyanurate. | | 分子名称: | 1-[(2~{R})-2-oxidanylpropyl]-3-[[(2~{R})-oxiran-2-yl]methyl]-5-[[(2~{S})-oxiran-2-yl]methyl]-1,3,5-triazinane-2,4,6-trione, 3C-like proteinase, Triglycidyl isocyanurate | | 著者 | Ewert, W, 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 | 2020-10-22 | | 公開日 | 2020-12-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.59 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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6ODI
 | | Structure of CagY from a cryo-EM reconstruction of a T4SS | | 分子名称: | Type IV secretion system apparatus protein CagY | | 著者 | Chung, J.M, Sheedlo, M.J, Campbell, A, Sawhney, N, Frick-Cheng, A.E, Lacy, D.B, Cover, T.L, Ohi, M.D. | | 登録日 | 2019-03-26 | | 公開日 | 2019-07-03 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Structure of the Helicobacter pylori Cag type IV secretion system.
Elife, 8, 2019
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1LH6
 | | X-RAY STRUCTURAL INVESTIGATION OF LEGHEMOGLOBIN. VI. STRUCTURE OF ACETATE-FERRILEGHEMOGLOBIN AT A RESOLUTION OF 2.0 ANGSTROMS (RUSSIAN) | | 分子名称: | LEGHEMOGLOBIN A (NICOTINATE MET), NICOTINIC ACID, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Vainshtein, B.K, Harutyunyan, E.H, Kuranova, I.P, Borisov, V.V, Sosfenov, N.I, Pavlovsky, A.G, Grebenko, A.I, Konareva, N.V. | | 登録日 | 1982-04-23 | | 公開日 | 1983-01-20 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | X-Ray Structural Investigation of Leghemoglobin. Vi. Structure of Acetate-Ferrileghemoglobin at a Resolution of 2.0 Angstroms (Russian)
Kristallografiya, 25, 1980
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1H15
 | | X-ray crystal structure of HLA-DRA1*0101/DRB5*0101 complexed with a peptide from Epstein Barr Virus DNA polymerase | | 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, DNA POLYMERASE, ... | | 著者 | Lang, H, Jacobsen, H, Ikemizu, S, Andersson, C, Harlos, K, Madsen, L, Hjorth, P, Sondergaard, L, Svejgaard, A, Wucherpfennig, K, Stuart, D.I, Bell, J.I, Jones, E.Y, Fugger, L. | | 登録日 | 2002-07-02 | | 公開日 | 2002-10-03 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | A Functional and Structural Basis for Tcr Cross-Reactivity in Multiple Sclerosis
Nat.Immunol., 3, 2002
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5KTN
 | | Crystal structure of Pyrococcus horikoshii quinolinate synthase (NadA) with bound dihydroxyacetone phosphate (DHAP) and Fe4S4 cluster | | 分子名称: | 1,3-DIHYDROXYACETONEPHOSPHATE, AMMONIUM ION, CHLORIDE ION, ... | | 著者 | Fenwick, M.K, Ealick, S.E. | | 登録日 | 2016-07-12 | | 公開日 | 2016-07-27 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | | 主引用文献 | Crystal Structures of the Iron-Sulfur Cluster-Dependent Quinolinate Synthase in Complex with Dihydroxyacetone Phosphate, Iminoaspartate Analogues, and Quinolinate.
Biochemistry, 55, 2016
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7UIT
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6RS4
 | | Structure of tabersonine synthase - an alpha-beta hydrolase from Catharanthus roseus | | 分子名称: | 1,2-ETHANEDIOL, Tabersonine synthase | | 著者 | Caputi, L, Franke, J, Bussey, K, Farrow, S.C, Curcino Vieira, I.J, Stevenson, C.E.M, Lawson, D.M, O'Connor, S.E. | | 登録日 | 2019-05-21 | | 公開日 | 2020-03-04 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Structural basis of cycloaddition in biosynthesis of iboga and aspidosperma alkaloids.
Nat.Chem.Biol., 16, 2020
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8P67
 | | Crystal structure of Thermothelomyces thermophila (double mutant EE) in complex with aldotetrauronic acid | | 分子名称: | 1,2-ETHANEDIOL, 4-O-methyl-alpha-D-glucopyranuronic acid-(1-2)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, GH30 family xylanase, ... | | 著者 | Dimarogona, M, Pentari, C, Kosinas, C, Topakas, E. | | 登録日 | 2023-05-25 | | 公開日 | 2024-05-22 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | | 主引用文献 | Structural and molecular insights into a bifunctional glycoside hydrolase 30 xylanase specific to glucuronoxylan.
Biotechnol.Bioeng., 121, 2024
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5L37
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7KFN
 | | Structure of Human Adenosine Deaminase Acting on dsRNA (ADAR2) bound to dsRNA containing a 2'-deoxy Benner's Base Z opposite the edited base | | 分子名称: | Double-stranded RNA-specific editase 1, Gli1 1W5 23mer RNA, Gli1 8AZ 23mer RNA, ... | | 著者 | Wilcox, X.E, Fisher, A.J, Beal, P.A. | | 登録日 | 2020-10-14 | | 公開日 | 2021-06-16 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Rational Design of RNA Editing Guide Strands: Cytidine Analogs at the Orphan Position.
J.Am.Chem.Soc., 143, 2021
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5FZN
 | | Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. | | 分子名称: | KELCH-LIKE ECH-ASSOCIATED PROTEIN 1, SULFATE ION, benzenesulfonamide | | 著者 | Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K. | | 登録日 | 2016-03-15 | | 公開日 | 2016-04-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery.
J.Med.Chem., 59, 2016
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