1ZW0
 
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2AOA
 | | Crystal structures of a high-affinity macrocyclic peptide mimetic in complex with the Grb2 SH2 domain | | 分子名称: | 2-(4-((9S,10S,14S,Z)-18-(2-AMINO-2-OXOETHYL)-9-(CARBOXYMETHYL)-14-(NAPHTHALEN-1-YLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL)PHENYL)MALONIC ACID, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Growth factor receptor-bound protein 2 | | 著者 | Phan, J, Shi, Z.D, Burke, T.R, Waugh, D.S. | | 登録日 | 2005-08-12 | | 公開日 | 2005-10-04 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Crystal Structures of a High-affinity Macrocyclic Peptide Mimetic in Complex with the Grb2 SH2 Domain.
J.Mol.Biol., 353, 2005
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2AOB
 | | Crystal structures of a high-affinity macrocyclic peptide mimetic in complex with the Grb2 SH2 domain | | 分子名称: | 2-(4-((9S,10S,14S,Z)-18-(2-AMINO-2-OXOETHYL)-9-(CARBOXYMETHYL)-14-(NAPHTHALEN-1-YLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL)PHENYL)MALONIC ACID, Growth factor receptor-bound protein 2 | | 著者 | Phan, J, Shi, Z.D, Burke, T.R, Waugh, D.S. | | 登録日 | 2005-08-12 | | 公開日 | 2005-10-04 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal Structures of a High-affinity Macrocyclic Peptide Mimetic in Complex with the Grb2 SH2 Domain.
J.Mol.Biol., 353, 2005
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1TTW
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1QZ0
 | | Crystal Structure of the Yersinia Pestis Phosphatase YopH in Complex with a Phosphotyrosyl Mimetic-Containing Hexapeptide | | 分子名称: | ASP-ALA-ASP-GLU-FTY-LEU-NH2, Protein-tyrosine phosphatase yopH | | 著者 | Phan, J, Lee, K, Cherry, S, Tropea, J.E, Burke Jr, T.R, Waugh, D.S. | | 登録日 | 2003-09-15 | | 公開日 | 2003-11-25 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | High-Resolution Structure of the Yersinia pestis Protein Tyrosine Phosphatase YopH in Complex with a Phosphotyrosyl Mimetic-Containing Hexapeptide
Biochemistry, 42, 2003
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6V9O
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1HW3
 | | STRUCTURE OF HUMAN THYMIDYLATE SYNTHASE SUGGESTS ADVANTAGES OF CHEMOTHERAPY WITH NONCOMPETITIVE INHIBITORS | | 分子名称: | 1,2-ETHANEDIOL, SULFATE ION, THYMIDYLATE SYNTHASE | | 著者 | Phan, J, Steadman, J.D, Koli, S, Ding, W.C, Minor, W, Dunlap, R.B, Berger, S.H, Lebioda, L. | | 登録日 | 2001-01-09 | | 公開日 | 2001-01-24 | | 最終更新日 | 2022-04-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure of human thymidylate synthase suggests advantages of chemotherapy with noncompetitive inhibitors.
J.Biol.Chem., 276, 2001
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1HVY
 | | Human thymidylate synthase complexed with dUMP and Raltitrexed, an antifolate drug, is in the closed conformation | | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, BETA-MERCAPTOETHANOL, THYMIDYLATE SYNTHASE, ... | | 著者 | Phan, J, Koli, S, Minor, W, Dunlap, R.B, Berger, S.H, Lebioda, L. | | 登録日 | 2001-01-08 | | 公開日 | 2001-01-31 | | 最終更新日 | 2022-04-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Human thymidylate synthase is in the closed conformation when complexed with dUMP and raltitrexed, an antifolate drug
Biochemistry, 40, 2001
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1HW4
 | | STRUCTURE OF THYMIDYLATE SYNTHASE SUGGESTS ADVANTAGES OF CHEMOTHERAPY WITH NONCOMPETITIVE INHIBITORS | | 分子名称: | 1,2-ETHANEDIOL, SULFATE ION, THYMIDYLATE SYNTHASE | | 著者 | Phan, J, Steadman, J.D, Koli, S, Ding, W.C, Minor, W, Dunlap, R.B, Berger, S.H, Lebioda, L. | | 登録日 | 2001-01-09 | | 公開日 | 2001-01-24 | | 最終更新日 | 2022-04-13 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | Structure of human thymidylate synthase suggests advantages of chemotherapy with noncompetitive inhibitors.
J.Biol.Chem., 276, 2001
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1LVM
 | | CATALYTICALLY ACTIVE TOBACCO ETCH VIRUS PROTEASE COMPLEXED WITH PRODUCT | | 分子名称: | CATALYTIC DOMAIN OF THE NUCLEAR INCLUSION PROTEIN A (NIA), OLIGOPEPTIDE SUBSTRATE FOR THE PROTEASE | | 著者 | Phan, J, Zdanov, A, Evdokimov, A.G, Tropea, J.E, Peters III, H.K, Kapust, R.B, Li, M, Wlodawer, A, Waugh, D.S. | | 登録日 | 2002-05-28 | | 公開日 | 2002-11-27 | | 最終更新日 | 2021-10-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural basis for the substrate specificity of tobacco etch virus protease.
J.Biol.Chem., 277, 2002
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1LVB
 | | CATALYTICALLY INACTIVE TOBACCO ETCH VIRUS PROTEASE COMPLEXED WITH SUBSTRATE | | 分子名称: | CATALYTIC DOMAIN OF THE NUCLEAR INCLUSION PROTEIN A (NIA), GLYCEROL, OLIGOPEPTIDE SUBSTRATE FOR THE PROTEASE | | 著者 | Phan, J, Zdanov, A, Evdokimov, A.G, Tropea, J.E, Peters III, H.K, Kapust, R.B, Li, M, Wlodawer, A, Waugh, D.S. | | 登録日 | 2002-05-28 | | 公開日 | 2002-11-27 | | 最終更新日 | 2021-10-27 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural basis for the substrate specificity of tobacco etch virus protease.
J.Biol.Chem., 277, 2002
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1EV8
 | | CRYSTAL STRUCTURE ANALYSIS OF CYS167 MUTANT OF ESCHERICHIA COLI | | 分子名称: | THYMIDYLATE SYNTHASE | | 著者 | Phan, J, Mahdavian, E, Nivens, M.C, Minor, W, Berger, S, Spencer, H.T, Dunlap, R.B, Lebioda, L. | | 登録日 | 2000-04-19 | | 公開日 | 2000-05-03 | | 最終更新日 | 2022-04-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Catalytic cysteine of thymidylate synthase is activated upon substrate binding.
Biochemistry, 39, 2000
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1EVF
 | | CRYSTAL STRUCTURE ANALYSIS OF CYS167 MUTANT OF ESCHERICHIA COLI | | 分子名称: | SULFATE ION, THYMIDYLATE SYNTHASE | | 著者 | Phan, J, Mahdavian, E, Nivens, M.C, Minor, W, Berger, S, Spencer, H.T, Dunlap, R.B, Lebioda, L. | | 登録日 | 2000-04-19 | | 公開日 | 2000-05-03 | | 最終更新日 | 2022-04-13 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Catalytic cysteine of thymidylate synthase is activated upon substrate binding.
Biochemistry, 39, 2000
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1EVG
 | | CRYSTAL STRUCTURE ANALYSIS OF CYS167 MUTANT OF ESCHERICHIA COLI WITH UNMODIFIED CATALYTIC CYSTEINE | | 分子名称: | SULFATE ION, THYMIDYLATE SYNTHASE | | 著者 | Phan, J, Mahdavian, E, Nivens, M.C, Minor, W, Berger, S, Spencer, H.T, Dunlap, R.B, Lebioda, L. | | 登録日 | 2000-04-19 | | 公開日 | 2000-05-03 | | 最終更新日 | 2022-04-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Catalytic cysteine of thymidylate synthase is activated upon substrate binding.
Biochemistry, 39, 2000
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1EV5
 | | CRYSTAL STRUCTURE ANALYSIS OF ALA167 MUTANT OF ESCHERICHIA COLI | | 分子名称: | SULFATE ION, THYMIDYLATE SYNTHASE | | 著者 | Phan, J, Mahdavian, E, Nivens, M.C, Minor, W, Berger, S, Spencer, H.T, Dunlap, R.B, Lebioda, L. | | 登録日 | 2000-04-19 | | 公開日 | 2000-05-03 | | 最終更新日 | 2022-04-13 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Catalytic cysteine of thymidylate synthase is activated upon substrate binding.
Biochemistry, 39, 2000
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2P4D
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6BVL
 | | Ras:SOS:Ras in complex with a small molecule activator | | 分子名称: | FORMIC ACID, GLYCEROL, GTPase HRAS, ... | | 著者 | Phan, J, Abbott, J, Fesik, S.W. | | 登録日 | 2017-12-13 | | 公開日 | 2018-10-24 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.748 Å) | | 主引用文献 | Discovery of Aminopiperidine Indoles That Activate the Guanine Nucleotide Exchange Factor SOS1 and Modulate RAS Signaling.
J. Med. Chem., 61, 2018
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6BVM
 | | Ras:SOS:Ras in complex with a small molecule activator | | 分子名称: | (2S)-2-amino-1-[(3aR,6aS)-5-[(5-chloro-1H-indol-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-(1H-indol-3-yl)propan-1-one, FORMIC ACID, GLYCEROL, ... | | 著者 | Phan, J, Abbott, J, Fesik, S.W. | | 登録日 | 2017-12-13 | | 公開日 | 2018-10-24 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.796 Å) | | 主引用文献 | Discovery of Aminopiperidine Indoles That Activate the Guanine Nucleotide Exchange Factor SOS1 and Modulate RAS Signaling.
J. Med. Chem., 61, 2018
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6BVK
 | | Ras:SOS:Ras in complex with a small molecule activator | | 分子名称: | FORMIC ACID, GLYCEROL, GTPase HRas, ... | | 著者 | Phan, J, Abbott, J, Fesik, S.W. | | 登録日 | 2017-12-13 | | 公開日 | 2018-10-24 | | 最終更新日 | 2019-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.799 Å) | | 主引用文献 | Discovery of Aminopiperidine Indoles That Activate the Guanine Nucleotide Exchange Factor SOS1 and Modulate RAS Signaling.
J. Med. Chem., 61, 2018
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6BVI
 | | Ras:SOS:Ras in complex with a small molecule activator | | 分子名称: | 6-chloro-N-{1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl}-L-tryptophanamide, FORMIC ACID, GLYCEROL, ... | | 著者 | Phan, J, Abbott, J, Fesik, S.W. | | 登録日 | 2017-12-13 | | 公開日 | 2018-10-24 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.746 Å) | | 主引用文献 | Discovery of Aminopiperidine Indoles That Activate the Guanine Nucleotide Exchange Factor SOS1 and Modulate RAS Signaling.
J. Med. Chem., 61, 2018
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6CUP
 | | Ras:SOS:Ras in complex with a small molecule activator | | 分子名称: | FORMIC ACID, GLYCEROL, GTPase HRas, ... | | 著者 | Phan, J, Abbott, J, Fesik, S.W. | | 登録日 | 2018-03-26 | | 公開日 | 2019-02-06 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.833 Å) | | 主引用文献 | Discovery of Quinazolines That Activate SOS1-Mediated Nucleotide Exchange on RAS.
ACS Med Chem Lett, 9, 2018
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6BVJ
 | | Ras:SOS:Ras in complex with a small molecule activator | | 分子名称: | 5-chloro-N-{1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl}-L-tryptophanamide, FORMIC ACID, GLYCEROL, ... | | 著者 | Phan, J, Abbott, J, Fesik, S.W. | | 登録日 | 2017-12-13 | | 公開日 | 2018-10-24 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.747 Å) | | 主引用文献 | Discovery of Aminopiperidine Indoles That Activate the Guanine Nucleotide Exchange Factor SOS1 and Modulate RAS Signaling.
J. Med. Chem., 61, 2018
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7U8H
 | | Discovery of a KRAS G12V Inhibitor in vivo Tool Compound starting from an HSQC-NMR based Fragment Hit | | 分子名称: | 1H-benzimidazol-2-ylmethanethiol, 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, GTPase KRas, ... | | 著者 | Phan, J, Fesik, S.W. | | 登録日 | 2022-03-08 | | 公開日 | 2022-11-09 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.702 Å) | | 主引用文献 | Fragment Optimization of Reversible Binding to the Switch II Pocket on KRAS Leads to a Potent, In Vivo Active KRAS G12C Inhibitor.
J.Med.Chem., 65, 2022
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6V94
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6UJH
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