2XDK
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![BU of 2xdk by Molmil](/molmil-images/mine/2xdk) | Structure of HSP90 with small molecule inhibitor bound | 分子名称: | 2-AMINO-4-PYRIDYL-PYRIMIDINE, HEAT SHOCK PROTEIN HSP 90-ALPHA | 著者 | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | 登録日 | 2010-05-04 | 公開日 | 2010-09-01 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Fragment-Based Drug Discovery Applied to Hsp90. Discovery of Two Lead Series with High Ligand Efficiency. J.Med.Chem., 53, 2010
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3T96
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![BU of 3t96 by Molmil](/molmil-images/mine/3t96) | Iodowillardiine bound to a double cysteine mutant (A452C/S652C) of the ligand binding domain of GluA2 | 分子名称: | 2-AMINO-3-(5-IODO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID, Glutamate receptor 2, ZINC ION | 著者 | Ahmed, A.H, Wang, S, Chuang, H.H, Oswald, R.E. | 登録日 | 2011-08-02 | 公開日 | 2011-08-17 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.872 Å) | 主引用文献 | Mechanism of AMPA Receptor Activation by Partial Agonists: DISULFIDE TRAPPING OF CLOSED LOBE CONFORMATIONS. J.Biol.Chem., 286, 2011
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3T9H
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![BU of 3t9h by Molmil](/molmil-images/mine/3t9h) | Kainate bound to a double cysteine mutant (A452C/S652C) of the ligand binding domain of GluA2 | 分子名称: | 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Glutamate receptor 2, ZINC ION | 著者 | Ahmed, A.H, Wang, S, Chuang, H.H, Oswald, R.E. | 登録日 | 2011-08-02 | 公開日 | 2011-08-17 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.015 Å) | 主引用文献 | Mechanism of AMPA Receptor Activation by Partial Agonists: DISULFIDE TRAPPING OF CLOSED LOBE CONFORMATIONS. J.Biol.Chem., 286, 2011
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1RSD
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![BU of 1rsd by Molmil](/molmil-images/mine/1rsd) | DHNA complex with 3-(5-Amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-[2-(2-hydroxymethyl-phenylsulfanyl)-benzyl]-benzamide | 分子名称: | 3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-2-YL)-N-[2-(2-(HYDROXYMETHYL-PHENYLSULFANYL)-BENZYL]-BENZAMIDE, Dihydroneopterin aldolase | 著者 | Sanders, W.J, Nienaber, V.L, Lerner, C.G, McCall, J.O, Merrick, S.M, Swanson, S.J, Harlan, J.E, Stoll, V.S, Stamper, G.F, Betz, S.F, Condroski, K.R, Meadows, R.P, Severin, J.M, Walter, K.A, Magdalinos, P, Jakob, C.G, Wagner, R, Beutel, B.A. | 登録日 | 2003-12-09 | 公開日 | 2004-03-30 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization. J.Med.Chem., 47, 2004
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4GM8
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![BU of 4gm8 by Molmil](/molmil-images/mine/4gm8) | Crystal structure of human WD repeat domain 5 with compound MM-102 | 分子名称: | MM-102, WD repeat-containing protein 5 | 著者 | Karatas, H, Townsend, E.C, Chen, Y, Bernard, D, Cao, F, Liu, L, Lei, M, Dou, Y, Wang, S. | 登録日 | 2012-08-15 | 公開日 | 2013-07-31 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.601 Å) | 主引用文献 | High-affinity, small-molecule peptidomimetic inhibitors of MLL1/WDR5 protein-protein interaction. J.Am.Chem.Soc., 135, 2013
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1RRY
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![BU of 1rry by Molmil](/molmil-images/mine/1rry) | DHNA complexed with 2-amino-4-hydroxy-5-carboxyethylpyrimidine | 分子名称: | 2-AMINO-4-HYDROXYPYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER, Dihydroneopterin aldolase | 著者 | Sanders, W.J, Nienaber, V.L, Lerner, C.G, McCall, J.O, Merrick, S.M, Swanson, S.J, Harlan, J.E, Stoll, V.S, Stamper, G.F, Betz, S.F, Condroski, K.R, Meadows, R.P, Severin, J.M, Walter, K.A, Magdalinos, P, Jakob, C.G, Wagner, R, Beutel, B.A. | 登録日 | 2003-12-09 | 公開日 | 2004-03-30 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization. J.Med.Chem., 47, 2004
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4R5V
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2K6Y
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![BU of 2k6y by Molmil](/molmil-images/mine/2k6y) | Solution structures of apo form PCuA (cis conformation of the peptide bond involving the nitrogen of P14) | 分子名称: | Putative uncharacterized protein TTHA1943 | 著者 | Abriata, L.A, Banci, L, Bertini, I, Ciofi-Baffoni, S, Gkazonis, P, Spyroulias, G.A, Vila, A.J, Wang, S. | 登録日 | 2008-07-28 | 公開日 | 2008-09-09 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Mechanism of Cu(A) assembly. Nat.Chem.Biol., 4, 2008
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2K70
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![BU of 2k70 by Molmil](/molmil-images/mine/2k70) | Solution structures of copper loaded form PCuA (cis conformation of the peptide bond involving the nitrogen of P14) | 分子名称: | COPPER (I) ION, Putative uncharacterized protein TTHA1943 | 著者 | Abriata, L.A, Banci, L, Bertini, I, Ciofi-Baffoni, S, Gkazonis, P.A, Spyroulias, G.A, Vila, A.J, Wang, S. | 登録日 | 2008-07-29 | 公開日 | 2008-09-09 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Mechanism of Cu(A) assembly. Nat.Chem.Biol., 4, 2008
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2K6W
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![BU of 2k6w by Molmil](/molmil-images/mine/2k6w) | Solution structures of apo PCuA (trans conformation of the peptide bond involving the nitrogen of P14) | 分子名称: | Putative uncharacterized protein TTHA1943 | 著者 | Abriata, L.A, Banci, L, Bertini, I, Ciofi-Baffoni, S, Gkazonis, P, Spyroulias, G.A, Vila, A.J, Wang, S. | 登録日 | 2008-07-28 | 公開日 | 2008-09-09 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Mechanism of Cu(A) assembly. Nat.Chem.Biol., 4, 2008
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2LLW
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![BU of 2llw by Molmil](/molmil-images/mine/2llw) | Solution structure of the yeast Sti1 DP2 domain | 分子名称: | Heat shock protein STI1 | 著者 | Schmid, A.B, Lagleder, S, Graewert, M.A, Roehl, A, Hagn, F, Wandinger, S.K, Cox, M.B, Demmer, O, Richter, K, Groll, M, Kessler, H, Buchner, J. | 登録日 | 2011-11-17 | 公開日 | 2012-01-25 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | The architecture of functional modules in the Hsp90 co-chaperone Sti1/Hop. Embo J., 31, 2012
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2FEF
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![BU of 2fef by Molmil](/molmil-images/mine/2fef) | The Crystal Structure of Protein PA2201 from Pseudomonas aeruginosa | 分子名称: | 1,2-ETHANEDIOL, hypothetical protein PA2201 | 著者 | Cymborowski, M.T, Chruszcz, M, Wang, S, Shumilin, I, Kudritska, M, Evdokimova, E, Savchenko, A, Edwards, A.M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | 登録日 | 2005-12-15 | 公開日 | 2006-01-31 | 最終更新日 | 2022-04-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | The Crystal Structure of Protein PA2201 from Pseudomonas aeruginosa To be Published
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7YS6
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![BU of 7ys6 by Molmil](/molmil-images/mine/7ys6) | Cryo-EM structure of the Serotonin 6 (5-HT6) receptor-DNGs-scFv16 complex | 分子名称: | 5-hydroxytryptamine receptor 6, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | 著者 | Zhao, Q.Y, Wang, Y.F, He, L, Wang, S, Cong, Y. | 登録日 | 2022-08-11 | 公開日 | 2023-03-29 | 最終更新日 | 2023-10-11 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Structural insights into constitutive activity of 5-HT 6 receptor. Proc.Natl.Acad.Sci.USA, 120, 2023
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2GO9
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![BU of 2go9 by Molmil](/molmil-images/mine/2go9) | RRM domains 1 and 2 of Prp24 from S. cerevisiae | 分子名称: | U4/U6 snRNA-associated splicing factor PRP24 | 著者 | Reiter, N.J, Lee, D.H, Tonelli, M, Kwan, S.K, Brow, D.A, Butcher, S.E. | 登録日 | 2006-04-12 | 公開日 | 2007-02-27 | 最終更新日 | 2024-05-29 | 実験手法 | SOLUTION NMR | 主引用文献 | Structure and interactions of the first three RNA recognition motifs of splicing factor prp24. J.Mol.Biol., 367, 2007
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3UQ3
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![BU of 3uq3 by Molmil](/molmil-images/mine/3uq3) | TPR2AB-domain:pHSP90-complex of yeast Sti1 | 分子名称: | Heat shock protein, Heat shock protein STI1 | 著者 | Schmid, A.B, Lagleder, S, Graewert, M.A, Roehl, A, Hagn, F, Wandinger, S.K, Cox, M.B, Demmer, O, Richter, K, Groll, M, Kessler, H, Buchner, J. | 登録日 | 2011-11-19 | 公開日 | 2012-01-18 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | The architecture of functional modules in the Hsp90 co-chaperone Sti1/Hop. Embo J., 31, 2012
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2LLV
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![BU of 2llv by Molmil](/molmil-images/mine/2llv) | Solution structure of the yeast Sti1 DP1 domain | 分子名称: | Heat shock protein STI1 | 著者 | Schmid, A.B, Lagleder, S, Graewert, M.A, Roehl, A, Hagn, F, Wandinger, S.K, Cox, M.B, Demmer, O, Richter, K, Groll, M, Kessler, H, Buchner, J. | 登録日 | 2011-11-17 | 公開日 | 2012-01-25 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | The architecture of functional modules in the Hsp90 co-chaperone Sti1/Hop. Embo J., 31, 2012
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3UPV
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![BU of 3upv by Molmil](/molmil-images/mine/3upv) | TPR2B-domain:pHsp70-complex of yeast Sti1 | 分子名称: | Heat shock protein SSA4, Heat shock protein STI1 | 著者 | Schmid, A.B, Lagleder, S, Graewert, M.A, Roehl, A, Hagn, F, Wandinger, S.K, Cox, M.B, Demmer, O, Richter, K, Groll, M, Kessler, H. | 登録日 | 2011-11-18 | 公開日 | 2012-01-25 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | The architecture of functional modules in the Hsp90 co-chaperone Sti1/Hop. Embo J., 31, 2012
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7WI0
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![BU of 7wi0 by Molmil](/molmil-images/mine/7wi0) | SARS-CoV-2 Omicron variant spike in complex with three human neutralizing antibodies | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, IG c1437_light_IGLV1-40_IGLJ1, IG c934_light_IGKV1-5_IGKJ1, ... | 著者 | Zheng, Q, Li, S, Sun, H, Zheng, Z, Wang, S. | 登録日 | 2022-01-01 | 公開日 | 2022-06-22 | 実験手法 | ELECTRON MICROSCOPY (3.82 Å) | 主引用文献 | Three SARS-CoV-2 antibodies provide broad and synergistic neutralization against variants of concern, including Omicron. Cell Rep, 39, 2022
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7WHZ
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![BU of 7whz by Molmil](/molmil-images/mine/7whz) | SARS-CoV-2 spike protein in complex with three human neutralizing antibodies | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, IG c1437_light_IGLV1-40_IGLJ1, IG c934_light_IGKV1-5_IGKJ1, ... | 著者 | Zheng, Q, Li, S, Sun, H, Zheng, Z, Wang, S. | 登録日 | 2022-01-01 | 公開日 | 2022-06-22 | 実験手法 | ELECTRON MICROSCOPY (3.42 Å) | 主引用文献 | Three SARS-CoV-2 antibodies provide broad and synergistic neutralization against variants of concern, including Omicron. Cell Rep, 39, 2022
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2VIN
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![BU of 2vin by Molmil](/molmil-images/mine/2vin) | Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator | 分子名称: | (2R)-1-(2,6-dimethylphenoxy)propan-2-amine, ACETATE ION, SULFATE ION, ... | 著者 | Frederickson, M, Callaghan, O, Chessari, G, Congreve, M, Cowan, S.R, Matthews, J.E, McMenamin, R, Smith, D, Vinkovic, M, Wallis, N.G. | 登録日 | 2007-12-05 | 公開日 | 2008-01-22 | 最終更新日 | 2017-07-05 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator J.Med.Chem., 51, 2008
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2VIP
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![BU of 2vip by Molmil](/molmil-images/mine/2vip) | Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator | 分子名称: | 4-(2-AMINOETHOXY)-3,5-DICHLORO-N-[3-(1-METHYLETHOXY)PHENYL]BENZAMIDE, ACETATE ION, SULFATE ION, ... | 著者 | Frederickson, M, Callaghan, O, Chessari, G, Congreve, M, Cowan, S.R, Matthews, J.E, McMenamin, R, Smith, D, Vinkovic, M, Wallis, N.G. | 登録日 | 2007-12-05 | 公開日 | 2008-01-22 | 最終更新日 | 2017-07-05 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator J.Med.Chem., 51, 2008
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7ETT
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![BU of 7ett by Molmil](/molmil-images/mine/7ett) | The FK1 domain of FKBP51 in complex with peptide-inhibitor hit QFPFV | 分子名称: | Peptidyl-prolyl cis-trans isomerase FKBP5, peptide-inhibitor hit | 著者 | Han, J.T, Zhu, Y.C, Pan, D.B, Xue, H.X, Wang, S, Liu, H.X, He, Y.X, Yao, X.J. | 登録日 | 2021-05-14 | 公開日 | 2022-02-23 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Discovery of pentapeptide-inhibitor hits targeting FKBP51 by combining computational modeling and X-ray crystallography. Comput Struct Biotechnol J, 19, 2021
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7ETV
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![BU of 7etv by Molmil](/molmil-images/mine/7etv) | The FK1 domain of FKBP51 in complex with peptide-inhibitor hit DFPFV | 分子名称: | Peptidyl-prolyl cis-trans isomerase FKBP5, peptide-inhibitor hit | 著者 | Han, J.T, Zhu, Y.C, Pan, D.B, Xue, H.X, Wang, S, Liu, H.X, He, Y.X, Yao, X.J. | 登録日 | 2021-05-14 | 公開日 | 2022-02-23 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | 主引用文献 | Discovery of pentapeptide-inhibitor hits targeting FKBP51 by combining computational modeling and X-ray crystallography. Comput Struct Biotechnol J, 19, 2021
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7ETU
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![BU of 7etu by Molmil](/molmil-images/mine/7etu) | The FK1 domain of FKBP51 in complex with peptide-inhibitor hit SFPFT | 分子名称: | Peptidyl-prolyl cis-trans isomerase FKBP5, peptide-inhibitor hit | 著者 | Han, J.T, Zhu, Y.C, Pan, D.B, Xue, H.X, Wang, S, Liu, H.X, He, Y.X, Yao, X.J. | 登録日 | 2021-05-14 | 公開日 | 2022-02-23 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | 主引用文献 | Discovery of pentapeptide-inhibitor hits targeting FKBP51 by combining computational modeling and X-ray crystallography. Comput Struct Biotechnol J, 19, 2021
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4QXT
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![BU of 4qxt by Molmil](/molmil-images/mine/4qxt) | Crystal Structure of anti-MSP2 Fv fragment (mAb6D8)in complex with FC27-MSP2 14-30 | 分子名称: | Fv fragment(mAb6D8) heavy chain, Fv fragment(mAb6D8) light chain, Merozoite surface antigen 2 | 著者 | Morales, R.A.V, MacRaild, C.A, Seow, J, Bankala, K, Drinkwater, N, McGowan, S, Rouet, R, Christ, D, Anders, R.F, Norton, R.S. | 登録日 | 2014-07-22 | 公開日 | 2015-06-03 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Structural basis for epitope masking and strain specificity of a conserved epitope in an intrinsically disordered malaria vaccine candidate. Sci Rep, 5, 2015
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