4GAE
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![BU of 4gae by Molmil](/molmil-images/mine/4gae) | Crystal structure of plasmodium dxr in complex with a pyridine-containing inhibitor | 分子名称: | 1,2-ETHANEDIOL, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, ... | 著者 | Diao, J, Xue, J, Cai, G, Deng, L, Song, Y. | 登録日 | 2012-07-25 | 公開日 | 2013-02-06 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Antimalarial and Structural Studies of Pyridine-containing Inhibitors of 1-Deoxyxylulose-5-phosphate Reductoisomerase. ACS Med Chem Lett, 4, 2013
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7BBV
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![BU of 7bbv by Molmil](/molmil-images/mine/7bbv) | Pectate lyase B from Verticillium dahliae | 分子名称: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, Pectate lyase B, ... | 著者 | Safran, J, Habrylo, O, Bouckaert, J, Pau Roblot, C, Senechal, F, Pelloux, J. | 登録日 | 2020-12-18 | 公開日 | 2022-07-13 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | The specificity of pectate lyase VdPelB from Verticilium dahliae is highlighted by structural, dynamical and biochemical characterizations. Int.J.Biol.Macromol., 231, 2023
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5DR0
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![BU of 5dr0 by Molmil](/molmil-images/mine/5dr0) | |
1STZ
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![BU of 1stz by Molmil](/molmil-images/mine/1stz) | Crystal structure of a hypothetical protein at 2.2 A resolution | 分子名称: | Heat-inducible transcription repressor hrcA homolog | 著者 | Liu, J, Adams, P.D, Shin, D.-H, Huang, C, Yokota, H, Jancarik, J, Kim, R, Kim, S.-H, Berkeley Structural Genomics Center (BSGC) | 登録日 | 2004-03-25 | 公開日 | 2004-08-24 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystal structure of a heat-inducible transcriptional repressor HrcA from Thermotoga maritima: structural insight into DNA binding and dimerization. J.Mol.Biol., 350, 2005
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8TCF
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![BU of 8tcf by Molmil](/molmil-images/mine/8tcf) | Integrin alpha-v beta-8 in complex with minibinder B8_BP_dsulf | 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, CALCIUM ION, ... | 著者 | Campbell, M.G, Fernandez, A, Roy, A, Kraft, J, Baker, D. | 登録日 | 2023-06-30 | 公開日 | 2023-09-27 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8. Nat Commun, 14, 2023
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8TCG
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![BU of 8tcg by Molmil](/molmil-images/mine/8tcg) | Integrin alpha-v beta-6 in complex with minibinder B6_BP_dslf | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Integrin alpha-V heavy chain, ... | 著者 | Campbell, M.G, Fernandez, A, Roy, A, Kraft, J, Baker, D. | 登録日 | 2023-06-30 | 公開日 | 2023-09-27 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8. Nat Commun, 14, 2023
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6DFN
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![BU of 6dfn by Molmil](/molmil-images/mine/6dfn) | Crystal structure of estrogen receptor alpha in complex with receptor degrader 16aa | 分子名称: | (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol, (8S)-8-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-1,8-dihydro-2H-[1]benzopyrano[4,3-d][1]benzoxepine-5,11-diol, Estrogen receptor, ... | 著者 | Kiefer, J.R, Vinogradova, M, Liang, J, Zhang, B, Ortwine, D.F, Nettles, K.W, Nwachukwu, J.C. | 登録日 | 2018-05-15 | 公開日 | 2019-02-20 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Unexpected equivalent potency of a constrained chromene enantiomeric pair rationalized by co-crystal structures in complex with estrogen receptor alpha. Bioorg. Med. Chem. Lett., 29, 2019
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7CDI
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![BU of 7cdi by Molmil](/molmil-images/mine/7cdi) | Crystal structure of SARS-CoV-2 antibody P2C-1F11 with RBD | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P2C-1F11 heavy chain, ... | 著者 | Wang, X, Zhang, L, Ge, J, Wang, R. | 登録日 | 2020-06-19 | 公開日 | 2020-11-18 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.96 Å) | 主引用文献 | Antibody neutralization of SARS-CoV-2 through ACE2 receptor mimicry. Nat Commun, 12, 2021
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5DR8
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![BU of 5dr8 by Molmil](/molmil-images/mine/5dr8) | Endothiapepsin in complex with fragment 330 | 分子名称: | 2-chlorobenzohydrazide, ACETATE ION, Endothiapepsin, ... | 著者 | Heine, A, Knoerlein, A, Schiebel, J, Klebe, G. | 登録日 | 2015-09-15 | 公開日 | 2016-09-28 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Crystallographic Fragment Screening of an Entire Library To Be Published
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4GGH
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![BU of 4ggh by Molmil](/molmil-images/mine/4ggh) | Crystal structure of an enolase family member from vibrio harveyi (efi-target 501692) with homology to mannonate dehydratase, with mg, hepes, and ethylene glycol bound (ordered loops, space group c2221) | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | 著者 | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | 登録日 | 2012-08-06 | 公開日 | 2012-09-05 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal structure of an enolase family member from vibrio harveyi (efi-target 501692) with homology to mannonate dehydratase, with mg, hepes, and ethylene glycol bound (ordered loops, space group c2221) To be Published
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1THA
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![BU of 1tha by Molmil](/molmil-images/mine/1tha) | MECHANISM OF MOLECULAR RECOGNITION. STRUCTURAL ASPECTS OF 3,3'-DIIODO-L-THYRONINE BINDING TO HUMAN SERUM TRANSTHYRETIN | 分子名称: | 3,3'-DEIODO-THYROXINE, TRANSTHYRETIN | 著者 | Wojtczak, A, Luft, J, Cody, V. | 登録日 | 1991-11-21 | 公開日 | 1994-01-31 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Mechanism of molecular recognition. Structural aspects of 3,3'-diiodo-L-thyronine binding to human serum transthyretin. J.Biol.Chem., 267, 1992
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3EMN
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![BU of 3emn by Molmil](/molmil-images/mine/3emn) | The Crystal Structure of Mouse VDAC1 at 2.3 A resolution | 分子名称: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Voltage-dependent anion-selective channel protein 1 | 著者 | Ujwal, R, Cascio, D, Colletier, J.-P, Faham, S, Zhang, J, Toro, L, Ping, P, Abramson, J. | 登録日 | 2008-09-24 | 公開日 | 2008-12-16 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | The crystal structure of mouse VDAC1 at 2.3 A resolution reveals mechanistic insights into metabolite gating Proc.Natl.Acad.Sci.USA, 105, 2008
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7CDJ
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![BU of 7cdj by Molmil](/molmil-images/mine/7cdj) | Crystal structure of SARS-CoV-2 antibody P2C-1A3 with RBD | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P2C-1A3 heavy chain, ... | 著者 | Wang, X, Zhang, L, Ge, J, Wang, R. | 登録日 | 2020-06-19 | 公開日 | 2020-11-18 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3.396 Å) | 主引用文献 | Antibody neutralization of SARS-CoV-2 through ACE2 receptor mimicry. Nat Commun, 12, 2021
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8T9Z
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![BU of 8t9z by Molmil](/molmil-images/mine/8t9z) | Structural of M8C10 Fab in complex human metapneumovirus fusion protein | 分子名称: | Fusion glycoprotein F0, M8C10 Fab Heavy Chain, M8C10 Fab Light Chain | 著者 | Su, H.P, Eddins, M.J, Shipman, J.M, Kostas, J, Reid, J.C. | 登録日 | 2023-06-26 | 公開日 | 2023-11-22 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.995 Å) | 主引用文献 | Structural characterization of M8C10, a neutralizing antibody targeting a highly conserved prefusion-specific epitope on the metapneumovirus fusion trimerization interface. J.Virol., 97, 2023
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5EAU
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![BU of 5eau by Molmil](/molmil-images/mine/5eau) | 5-EPI-ARISTOLOCHENE SYNTHASE FROM NICOTIANA TABACUM | 分子名称: | 5-EPI-ARISTOLOCHENE SYNTHASE, MAGNESIUM ION, TRIFLUOROFURNESYL DIPHOSPHATE | 著者 | Starks, C.M, Back, K, Chappell, J, Noel, J.P. | 登録日 | 1997-12-11 | 公開日 | 1998-04-08 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Structural basis for cyclic terpene biosynthesis by tobacco 5-epi-aristolochene synthase. Science, 277, 1997
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2JJL
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![BU of 2jjl by Molmil](/molmil-images/mine/2jjl) | Structure of avian reovirus sigmaC117-326, P321 crystal form | 分子名称: | CHLORIDE ION, SIGMA-C CAPSID PROTEIN, SULFATE ION, ... | 著者 | Guardado-Calvo, P, Fox, G.C, Llamas-Saiz, A.L, Benavente, J, van Raaij, M.J. | 登録日 | 2008-04-14 | 公開日 | 2009-01-13 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystallographic structure of the alpha-helical triple coiled-coil domain of avian reovirus S1133 fibre. J. Gen. Virol., 90, 2009
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4G9B
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![BU of 4g9b by Molmil](/molmil-images/mine/4g9b) | Crystal structure of beta-phosphoglucomutase homolog from escherichia coli, target efi-501172, with bound mg, open lid | 分子名称: | Beta-phosphoglucomutase, CHLORIDE ION, GLYCEROL, ... | 著者 | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Dunaway-Mariano, D, Allen, K.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | 登録日 | 2012-07-23 | 公開日 | 2012-08-15 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Crystal structure of beta-phosphoglucomutase homolog from escherichia coli, target efi-501172, with bound mg, open lid To be Published
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1A06
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4DPD
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![BU of 4dpd by Molmil](/molmil-images/mine/4dpd) | WILD TYPE PLASMODIUM FALCIPARUM DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE (PfDHFR-TS), DHF COMPLEX, NADP+, dUMP | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, DIHYDROFOLIC ACID, ... | 著者 | Yuthavong, Y, Vilaivan, T, Kamchonwongpaisan, S, Charman, S.A, McLennan, D.N, White, K.L, Vivas, L, Bongard, E, Chitnumsub, P, Tarnchompoo, B, Thongphanchang, C, Taweechai, S, Vanichtanakul, J, Arwon, U, Fantauzzi, P, Yuvaniyama, J, Charman, W.N, Matthews, D. | 登録日 | 2012-02-13 | 公開日 | 2012-11-14 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Malarial dihydrofolate reductase as a paradigm for drug development against a resistance-compromised target Proc.Natl.Acad.Sci.USA, 109, 2012
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1QLQ
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![BU of 1qlq by Molmil](/molmil-images/mine/1qlq) | Bovine Pancreatic Trypsin Inhibitor (BPTI) Mutant with Altered Binding Loop Sequence | 分子名称: | PANCREATIC TRYPSIN INHIBITOR, SULFATE ION | 著者 | Czapinska, H, Krzywda, S, Sheldrick, G.M, Otlewski, J, Jaskolski, M. | 登録日 | 1999-09-10 | 公開日 | 1999-10-05 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | High Resolution Structure of Bovine Pancreatic Trypsin Inhibitor with Altered Binding Loop Sequence J.Mol.Biol., 295, 1999
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4G5R
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![BU of 4g5r by Molmil](/molmil-images/mine/4g5r) | Structure of LGN GL4/Galphai3 complex | 分子名称: | CITRIC ACID, G-protein-signaling modulator 2, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Jia, M, Li, J, Zhu, J, Wen, W, Zhang, M, Wang, W. | 登録日 | 2012-07-18 | 公開日 | 2012-09-05 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (3.481 Å) | 主引用文献 | Crystal Structures of the scaffolding protein LGN reveal the general mechanism by which GoLoco binding motifs inhibit the release of GDP from Galphai subunits in G-coupled heterotrimeric proteins To be Published
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3L6Q
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![BU of 3l6q by Molmil](/molmil-images/mine/3l6q) | Crystal structure of the N-terminal domain of HSP70 from Cryptosporidium parvum (CGD2_20) | 分子名称: | Heat shock 70 (HSP70) protein, MAGNESIUM ION, SULFATE ION | 著者 | Pizarro, J.C, Wernimont, A.K, Hutchinson, A, Sullivan, H, Lew, J, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Hills, T, Structural Genomics Consortium (SGC) | 登録日 | 2009-12-24 | 公開日 | 2010-02-02 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | Crystal structure of the N-terminal domain of HSP70 from Cryptosporidium parvum (CGD2_20) To be Published
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4GIR
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![BU of 4gir by Molmil](/molmil-images/mine/4gir) | Crystal structure of an enolase family member from vibrio harveyi (efi-target 501692) with homology to mannonate dehydratase, with mg, ethylene glycol and sulfate bound (ordered loops, space group P41212) | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Enolase, ... | 著者 | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | 登録日 | 2012-08-08 | 公開日 | 2012-08-29 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | crystal structure of an enolase family member from vibrio harveyi (efi-target 501692) with homology to mannonate dehydratase, with mg, ethylene glycol and sulfate bound (ordered loops, space group P41212) To be Published
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4DSO
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![BU of 4dso by Molmil](/molmil-images/mine/4dso) | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity | 分子名称: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, BENZAMIDINE, GLYCEROL, ... | 著者 | Oh, A, Maurer, T, Garrenton, L.S, Pitts, K, Anderson, D.J, Skelton, N.J, Fauber, B.P, Pan, B, Malek, S, Stokoe, D, Ludlam, M, Bowman, K.K, Wu, J, Giannetti, A.M, Starovasnik, M.A, Mellman, I, Jackson, P.K, Ruldolph, J, Fang, G, Wang, W. | 登録日 | 2012-02-19 | 公開日 | 2012-04-04 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity. Proc.Natl.Acad.Sci.USA, 109, 2012
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4DSU
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![BU of 4dsu by Molmil](/molmil-images/mine/4dsu) | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity | 分子名称: | BENZIMIDAZOLE, GTPase KRas, isoform 2B, ... | 著者 | Oh, A, Maurer, T, Garrenton, L.S, Pitts, K, Anderson, D.J, Skelton, N.J, Fauber, B.P, Pan, B, Malek, S, Stokoe, D, Ludlam, M, Bowman, K.K, Wu, J, Giannetti, A.M, Starovasnik, M.A, Mellman, I, Jackson, P.K, Ruldolph, J, Fang, G, Wang, W. | 登録日 | 2012-02-19 | 公開日 | 2012-04-04 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity. Proc.Natl.Acad.Sci.USA, 109, 2012
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