6M4V
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![BU of 6m4v by Molmil](/molmil-images/mine/6m4v) | Crystal structure of MBP fused split FKBP in complex with rapamycin | 分子名称: | GLYCEROL, Peptidyl-prolyl cis-trans isomerase FKBP1A, RAPAMYCIN IMMUNOSUPPRESSANT DRUG, ... | 著者 | Kikuchi, M, Wu, D, Inoue, T, Umehara, T. | 登録日 | 2020-03-09 | 公開日 | 2020-08-26 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.92 Å) | 主引用文献 | Rational design and implementation of a chemically inducible heterotrimerization system. Nat.Methods, 17, 2020
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5F0J
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![BU of 5f0j by Molmil](/molmil-images/mine/5f0j) | Structure of retromer VPS26-VPS35 subunits bound to SNX3 | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, SULFATE ION, ... | 著者 | Lucas, M, Gershlick, D, Vidaurrazaga, A, Rojas, A.L, Bonifacino, J.S, Hierro, A. | 登録日 | 2015-11-27 | 公開日 | 2016-12-07 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structural Mechanism for Cargo Recognition by the Retromer Complex. Cell, 167, 2016
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5F0L
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![BU of 5f0l by Molmil](/molmil-images/mine/5f0l) | Structure of retromer VPS26-VPS35 subunits bound to SNX3 and DMT1 | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, Natural resistance-associated macrophage protein 2, ... | 著者 | Lucas, M, Gershlick, D, Vidaurrazaga, A, Rojas, A.L, Bonifacino, J.S, Hierro, A. | 登録日 | 2015-11-27 | 公開日 | 2016-12-07 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Structural Mechanism for Cargo Recognition by the Retromer Complex. Cell, 167, 2016
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6M02
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![BU of 6m02 by Molmil](/molmil-images/mine/6m02) | cryo-EM structure of human Pannexin 1 channel | 分子名称: | Pannexin-1 | 著者 | Ronggui, Q, Lili, D, Jilin, Z, Xuekui, Y, Lei, W, Shujia, Z. | 登録日 | 2020-02-19 | 公開日 | 2020-03-25 | 最終更新日 | 2020-05-27 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Cryo-EM structure of human heptameric Pannexin 1 channel. Cell Res., 30, 2020
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6MAU
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![BU of 6mau by Molmil](/molmil-images/mine/6mau) | Crystal structure of human BRD4(1) in complex with CN210 (compound 19) | 分子名称: | 1-(4-{6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl}-1H-pyrazol-1-yl)-2-methylpropan-2-ol, Bromodomain-containing protein 4, GLYCEROL | 著者 | Nadupalli, A, Fontano, E, Connors, C.R, Chan, S.G, Olland, A.M, Lakshminarasimhan, D, White, A, Suto, R.K. | 登録日 | 2018-08-28 | 公開日 | 2019-04-03 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | 主引用文献 | Lead optimization and efficacy evaluation of quinazoline-based BET family inhibitors for potential treatment of cancer and inflammatory diseases. Bioorg. Med. Chem. Lett., 29, 2019
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2XPO
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![BU of 2xpo by Molmil](/molmil-images/mine/2xpo) | Crystal structure of a Spt6-Iws1(Spn1) complex from Encephalitozoon cuniculi, Form II | 分子名称: | CHLORIDE ION, CHROMATIN STRUCTURE MODULATOR, IWS1 | 著者 | Diebold, M.-L, Koch, M, Cura, V, Moras, D, Cavarelli, J, Romier, C. | 登録日 | 2010-08-27 | 公開日 | 2010-11-17 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The Structure of an Iws1/Spt6 Complex Reveals an Interaction Domain Conserved in Tfiis, Elongin a and Med26 Embo J., 29, 2010
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6MCR
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![BU of 6mcr by Molmil](/molmil-images/mine/6mcr) | X-ray crystal structure of wild type HIV-1 protease in complex with GRL-001 | 分子名称: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3-fluorophenyl)-3-hydroxybutan-2-yl]carbamate, 1,2-ETHANEDIOL, Protease | 著者 | Bulut, H, Hayashi, H, Hattori, S.I, Aoki, M, Das, D, Ghosh, A.K, Mitsuya, H. | 登録日 | 2018-09-02 | 公開日 | 2019-04-24 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | 主引用文献 | Halogen Bond Interactions of Novel HIV-1 Protease Inhibitors (PI) (GRL-001-15 and GRL-003-15) with the Flap of Protease Are Critical for Their Potent Activity against Wild-Type HIV-1 and Multi-PI-Resistant Variants. Antimicrob.Agents Chemother., 63, 2019
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5F0K
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![BU of 5f0k by Molmil](/molmil-images/mine/5f0k) | Structure of VPS35 N terminal region | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, SULFATE ION, ... | 著者 | Lucas, M, Gershlick, D, Vidaurrazaga, A, Rojas, A.L, Bonifacino, J.S, Hierro, A. | 登録日 | 2015-11-27 | 公開日 | 2016-12-07 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (3.074 Å) | 主引用文献 | Structural Mechanism for Cargo Recognition by the Retromer Complex. Cell, 167, 2016
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6MG8
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![BU of 6mg8 by Molmil](/molmil-images/mine/6mg8) | Structural basis for cholesterol transport-like activity of the Hedgehog receptor Patched | 分子名称: | CHOLESTEROL, Protein patched homolog 1 | 著者 | Zhang, Y, Bulkley, D, Xin, Y, Roberts, K.J, Asarnow, D.E, Sharma, A, Myers, B.R, Cho, W, Cheng, Y, Beachy, P.A. | 登録日 | 2018-09-13 | 公開日 | 2018-11-28 | 最終更新日 | 2022-03-16 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | Structural Basis for Cholesterol Transport-like Activity of the Hedgehog Receptor Patched. Cell, 175, 2018
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5F6Z
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![BU of 5f6z by Molmil](/molmil-images/mine/5f6z) | Sandercyanin Fluorescent Protein purified from Sander vitreus | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, Sandercyanin Fluorescent Protein | 著者 | Ghosh, S, Yu, C.L, Ferraro, D, Sudha, S, Pal, S, Schaefer, W, Gibson, D.T, Subramanian, R. | 登録日 | 2015-12-07 | 公開日 | 2016-09-28 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.248 Å) | 主引用文献 | Blue protein with red fluorescence Proc.Natl.Acad.Sci.USA, 113, 2016
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5F4B
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![BU of 5f4b by Molmil](/molmil-images/mine/5f4b) | Structure of B. abortus WrbA-related protein A (WrpA) | 分子名称: | CHLORIDE ION, FLAVIN MONONUCLEOTIDE, NAD(P)H dehydrogenase (quinone) | 著者 | Herrou, J, Czyz, D, Willett, J.W, Kim, H.S, Chhor, G, Endres, M, Babnigg, G, Kim, Y, Joachimiak, A, Crosson, S, Midwest Center for Structural Genomics (MCSG) | 登録日 | 2015-12-03 | 公開日 | 2016-03-09 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.498 Å) | 主引用文献 | WrpA Is an Atypical Flavodoxin Family Protein under Regulatory Control of the Brucella abortus General Stress Response System. J.Bacteriol., 198, 2016
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5F0M
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![BU of 5f0m by Molmil](/molmil-images/mine/5f0m) | Structure of retromer VPS26-VPS35 subunits bound to SNX3 and DMT1 (SeMet labeled) | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, Natural resistance-associated macrophage protein 2, ... | 著者 | Lucas, M, Gershlick, D, Vidaurrazaga, A, Rojas, A.L, Bonifacino, J.S, Hierro, A. | 登録日 | 2015-11-27 | 公開日 | 2016-12-07 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Structural Mechanism for Cargo Recognition by the Retromer Complex. Cell, 167, 2016
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5F51
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![BU of 5f51 by Molmil](/molmil-images/mine/5f51) | Structure of B. abortus WrbA-related protein A (apo) | 分子名称: | NAD(P)H dehydrogenase (quinone), SULFATE ION | 著者 | Herrou, J, Czyz, D, Willett, J.W, Kim, H.S, Kim, Y, Crosson, S. | 登録日 | 2015-12-03 | 公開日 | 2016-03-09 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | 主引用文献 | WrpA Is an Atypical Flavodoxin Family Protein under Regulatory Control of the Brucella abortus General Stress Response System. J.Bacteriol., 198, 2016
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6MGF
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![BU of 6mgf by Molmil](/molmil-images/mine/6mgf) | untagged, wild-type LptB in complex with ADP | 分子名称: | (3s,5s,7s)-N-{7-[(3-O-carbamoyl-6-deoxy-5-methyl-4-O-methyl-beta-D-gulopyranosyl)oxy]-4-hydroxy-8-methyl-2-oxo-2H-1-ben zopyran-3-yl}tricyclo[3.3.1.1~3,7~]decane-1-carboxamide, ADENOSINE-5'-DIPHOSPHATE, Lipopolysaccharide export system ATP-binding protein LptB, ... | 著者 | Mandler, M.D, Owens, T.W, Ruiz, N, Kahne, D. | 登録日 | 2018-09-13 | 公開日 | 2019-09-18 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.982 Å) | 主引用文献 | Bypassing the requirement for coupling of ATP binding and hydrolysis in the lipopolysaccharide ABC transporte not published
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2XBY
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![BU of 2xby by Molmil](/molmil-images/mine/2xby) | Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor | 分子名称: | (3R,4R)-1-METHYLCARBAMOYLMETHYL-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(4-CHLORO-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | 著者 | Banner, D.W, Benz, J, Schlatter, D, Thomi, S, Haap, W. | 登録日 | 2010-04-15 | 公開日 | 2010-08-04 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | Discovery of a Factor Xa Inhibitor (3R,4R)-1-(2,2-Difluoro-Ethyl)-Pyrrolidine-3,4-Dicarboxylic Acid 3-[(5-Chloro-Pyridin-2-Yl)-Amide] 4-{[2-Fluoro-4-(2-Oxo-2H-Pyridin-1-Yl)-Phenyl]-Amide} as a Clinical Candidate. Bioorg.Med.Chem., 20, 2010
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2XBX
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![BU of 2xbx by Molmil](/molmil-images/mine/2xbx) | Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor | 分子名称: | (3R,4R)-1-METHANESULFONYL-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(4-CHLORO-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | 著者 | Banner, D.W, Benz, J, Schlatter, D, Haap, W. | 登録日 | 2010-04-15 | 公開日 | 2010-08-04 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Discovery of a Factor Xa Inhibitor (3R,4R)-1-(2,2-Difluoro-Ethyl)-Pyrrolidine-3,4-Dicarboxylic Acid 3-[(5-Chloro-Pyridin-2-Yl)-Amide] 4-{[2-Fluoro-4-(2-Oxo-2H-Pyridin-1-Yl)-Phenyl]-Amide} as a Clinical Candidate. Bioorg.Med.Chem., 20, 2010
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2XBW
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![BU of 2xbw by Molmil](/molmil-images/mine/2xbw) | Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor | 分子名称: | (3R,4R)-1-SULFAMOYL-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(4-CHLORO-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | 著者 | Banner, D.W, Benz, J, Schlatter, D, Thomi, S, Haap, W. | 登録日 | 2010-04-15 | 公開日 | 2010-08-04 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Discovery of a Factor Xa Inhibitor (3R,4R)-1-(2,2-Difluoro-Ethyl)-Pyrrolidine-3,4-Dicarboxylic Acid 3-[(5-Chloro-Pyridin-2-Yl)-Amide] 4-{[2-Fluoro-4-(2-Oxo-2H-Pyridin-1-Yl)-Phenyl]-Amide} as a Clinical Candidate. Bioorg.Med.Chem., 20, 2010
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2XC5
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![BU of 2xc5 by Molmil](/molmil-images/mine/2xc5) | Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor | 分子名称: | (3R,4R)-1-METHANESULFONYL-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(4-CHLORO-3-FLUORO-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | 著者 | Banner, D.W, Benz, J, Schlatter, D, Anselm, L, Haap, W. | 登録日 | 2010-04-16 | 公開日 | 2010-08-04 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Discovery of a Factor Xa Inhibitor (3R,4R)-1-(2,2-Difluoro-Ethyl)-Pyrrolidine-3,4-Dicarboxylic Acid 3-[(5-Chloro-Pyridin-2-Yl)-Amide] 4-{[2-Fluoro-4-(2-Oxo-2H-Pyridin-1-Yl)-Phenyl]-Amide} as a Clinical Candidate. Bioorg.Med.Chem., 20, 2010
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5CX9
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![BU of 5cx9 by Molmil](/molmil-images/mine/5cx9) | Crystal structure of CK2alpha with (methyl 4-((3-(3-chloro-4-(phenyl)benzylamino)propyl)amino)-4-oxobutanoate bound | 分子名称: | ACETATE ION, Casein kinase II subunit alpha, PHOSPHATE ION, ... | 著者 | Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. | 登録日 | 2015-07-28 | 公開日 | 2016-11-30 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.732 Å) | 主引用文献 | A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066. Bioorg. Med. Chem., 25, 2017
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2XNS
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![BU of 2xns by Molmil](/molmil-images/mine/2xns) | Crystal Structure Of Human G alpha i1 Bound To A Designed Helical Peptide Derived From The Goloco Motif Of RGS14 | 分子名称: | GUANINE NUCLEOTIDE-BINDING PROTEIN G(I) SUBUNIT ALPHA-1, GUANOSINE-5'-DIPHOSPHATE, REGULATOR OF G-PROTEIN SIGNALING 14, ... | 著者 | Bosch, D, Sammond, D.W, Butterfoss, G.L, Machius, M, Siderovski, D.P, Kuhlman, B. | 登録日 | 2010-08-05 | 公開日 | 2011-06-08 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3.41 Å) | 主引用文献 | Computational Design of the Sequence and Structure of a Protein-Binding Peptide. J.Am.Chem.Soc., 133, 2011
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6N7B
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![BU of 6n7b by Molmil](/molmil-images/mine/6n7b) | Structure of the human JAK1 kinase domain with compound 38 | 分子名称: | GLYCEROL, N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine-7-carboxamide, Tyrosine-protein kinase JAK1 | 著者 | Lupardus, P.J, Brown, D. | 登録日 | 2018-11-27 | 公開日 | 2019-04-24 | 最終更新日 | 2019-05-15 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling. Bioorg.Med.Chem.Lett., 29, 2019
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6N79
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![BU of 6n79 by Molmil](/molmil-images/mine/6n79) | Structure of the human JAK1 kinase domain with compound 20 | 分子名称: | GLYCEROL, N-{5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK1 | 著者 | Lupardus, P.J, Brown, D. | 登録日 | 2018-11-27 | 公開日 | 2019-04-24 | 最終更新日 | 2019-05-15 | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | 主引用文献 | Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling. Bioorg.Med.Chem.Lett., 29, 2019
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5DEQ
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![BU of 5deq by Molmil](/molmil-images/mine/5deq) | Crystal structure of transcriptional factor AraR from Bacteroides thetaiotaomicron VPI in complex with L-arabinose | 分子名称: | FORMIC ACID, SULFATE ION, TRANSCRIPTIONAL REGULATOR AraR, ... | 著者 | Chang, C, Tesar, C, Rodionov, D, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | 登録日 | 2015-08-25 | 公開日 | 2015-10-21 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | A novel transcriptional regulator of L-arabinose utilization in human gut bacteria. Nucleic Acids Res., 43, 2015
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6N78
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![BU of 6n78 by Molmil](/molmil-images/mine/6n78) | Structure of the human JAK1 kinase domain with compound 21 | 分子名称: | GLYCEROL, N-{3-[5-chloro-2-(difluoromethoxy)phenyl]-1-methyl-1H-pyrazol-4-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK1 | 著者 | Lupardus, P.J, Brown, D. | 登録日 | 2018-11-27 | 公開日 | 2019-04-24 | 最終更新日 | 2019-05-15 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling. Bioorg.Med.Chem.Lett., 29, 2019
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6N7A
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![BU of 6n7a by Molmil](/molmil-images/mine/6n7a) | Structure of the human JAK1 kinase domain with compound 39 | 分子名称: | GLYCEROL, N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-2-methyl-2H-pyrazolo[4,3-c]pyridine-7-carboxamide, Tyrosine-protein kinase JAK1 | 著者 | Lupardus, P.J, Brown, D. | 登録日 | 2018-11-27 | 公開日 | 2019-04-24 | 最終更新日 | 2019-05-15 | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | 主引用文献 | Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling. Bioorg.Med.Chem.Lett., 29, 2019
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