1MUI
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![BU of 1mui by Molmil](/molmil-images/mine/1mui) | Crystal structure of HIV-1 protease complexed with Lopinavir. | 分子名称: | N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, protease | 著者 | Stoll, V, Qin, W, Stewart, K.D, Jakob, C, Park, C, Walter, K, Simmer, R.L, Helfrich, R, Bussiere, D, Kao, J, Kempf, D, Sham, H.L, Norbeck, D.W. | 登録日 | 2002-09-23 | 公開日 | 2002-10-23 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | X-ray Crystallographic Structure of ABT-378 (Lopinavir) Bound to HIV-1 Protease BIOORG.MED.CHEM., 10, 2002
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1XOG
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![BU of 1xog by Molmil](/molmil-images/mine/1xog) | N9 Tern Influenza neuraminidase complexed with a 2,5-Disubstituted tetrahydrofuran-5-carboxylic acid | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-2,5-ANHYDRO-3,4-DIDEOXY-4-(METHOXYCARBONYL)PENTONIC ACID, Neuraminidase, ... | 著者 | Wang, G.T, Wang, S, Gentles, R, Sowin, T, Maring, C.J, Kempf, D.J, Kati, W.M, Stoll, V, Stewart, K.D, Laver, G. | 登録日 | 2004-10-06 | 公開日 | 2005-01-11 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Design, synthesis, and structural analysis of inhibitors of influenza neuraminidase containing a 2,3-disubstituted tetrahydrofuran-5-carboxylic acid core. Bioorg.Med.Chem.Lett., 15, 2005
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1XOE
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![BU of 1xoe by Molmil](/molmil-images/mine/1xoe) | N9 Tern influenza neuraminidase complexed with (2R,4R,5R)-5-(1-Acetylamino-3-methyl-butyl-pyrrolidine-2, 4-dicarobyxylic acid 4-methyl esterdase complexed with | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-4-(METHOXYCARBONYL)PROLINE, Neuraminidase, ... | 著者 | Wang, G.T, Wang, S, Gentles, R, Sowin, T, Maring, C.J, Kempf, D.J, Kati, W.M, Stoll, V, Stewart, K.D, Laver, G. | 登録日 | 2004-10-06 | 公開日 | 2005-01-11 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Design, synthesis, and structural analysis of inhibitors of influenza neuraminidase
containing a 2,3-disubstituted tetrahydrofuran-5-carboxylic acid core. Bioorg.Med.Chem.Lett., 15, 2005
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1NI1
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![BU of 1ni1 by Molmil](/molmil-images/mine/1ni1) | Imidazole and cyanophenyl farnesyl transferase inhibitors | 分子名称: | 2-CHLORO-5-(3-CHLORO-PHENYL)-6-[(4-CYANO-PHENYL)-(3-METHYL-3H-IMIDAZOL-4-YL)- METHOXYMETHYL]-NICOTINONITRILE, ALPHA-HYDROXYFARNESYLPHOSPHONIC ACID, Protein farnesyltransferase alpha subunit, ... | 著者 | Tong, Y, Lin, N.H, Wang, L, Hasvold, L, Wang, W, Leonard, N, Li, T, Li, Q, Cohen, J, Gu, W.Z, Zhang, H, Stoll, V, Bauch, J, Marsh, K, Rosenberg, S.H, Sham, H.L. | 登録日 | 2002-12-20 | 公開日 | 2004-04-06 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Discovery of potent imidazole and cyanophenyl containing farnesyltransferase inhibitors with improved oral bioavailability. Bioorg.Med.Chem.Lett., 13, 2003
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7KMF
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![BU of 7kmf by Molmil](/molmil-images/mine/7kmf) | Sugar phosphate activation of the stress sensor eIF2B | 分子名称: | 6-O-phosphono-beta-D-fructofuranose, Translation initiation factor eIF-2B subunit alpha, Translation initiation factor eIF-2B subunit beta, ... | 著者 | Nocek, B, Hao, Q, Wong, Y, Stoll, V, Sidrauski, C. | 登録日 | 2020-11-02 | 公開日 | 2021-07-14 | 実験手法 | ELECTRON MICROSCOPY (2.91 Å) | 主引用文献 | Sugar phosphate activation of the stress sensor eIF2B. Nat Commun, 12, 2021
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7KMA
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![BU of 7kma by Molmil](/molmil-images/mine/7kma) | Crystal structure of eif2Balpha with a ligand. | 分子名称: | 6-O-phosphono-alpha-D-mannopyranose, ACETATE ION, Translation initiation factor eIF-2B subunit alpha | 著者 | Nocek, B, Hao, Q, Remarcik, C, Stoll, V, Wong, Y, Sidrauski, C. | 登録日 | 2020-11-02 | 公開日 | 2021-07-21 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Sugar phosphate activation of the stress sensor eIF2B. Nat Commun, 12, 2021
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7UFG
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![BU of 7ufg by Molmil](/molmil-images/mine/7ufg) | Cryo-EM structure of PAPP-A in complex with IGFBP5 | 分子名称: | Insulin-like growth factor-binding protein 5, Pappalysin-1, ZINC ION | 著者 | Judge, R.A, Jain, R, Hao, Q, Ouch, C, Sridar, J, Smith, C.L, Wang, J.C.K, Eaton, D. | 登録日 | 2022-03-22 | 公開日 | 2022-09-28 | 実験手法 | ELECTRON MICROSCOPY (3.28 Å) | 主引用文献 | Structure of the PAPP-ABP5 complex reveals mechanism of substrate recognition Nat Commun, 13, 2022
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3GGX
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![BU of 3ggx by Molmil](/molmil-images/mine/3ggx) | HIV Protease, pseudo-symmetric inhibitors | 分子名称: | V-1 protease, methyl [(1S)-1-{[(1R,3S,4S)-4-{[(2S)-3,3-dimethyl-2-{3-[(6-methylpyridin-2-yl)methyl]-2-oxo-2,3-dihydro-1H-imidazol-1-yl}butanoyl]amino}-3-hydroxy-5-phenyl-1-(4-pyridin-2-ylbenzyl)pentyl]carbamoyl}-2,2-dimethylpropyl]carbamate | 著者 | Stoll, V.S. | 登録日 | 2009-03-02 | 公開日 | 2009-05-26 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | 2-Pyridyl P1'-substituted symmetry-based human immunodeficiency virus
protease inhibitors (A-792611 and A-790742) with potential for convenient
dosing and reduced side effects. J.Med.Chem., 52, 2009
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3GGV
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![BU of 3ggv by Molmil](/molmil-images/mine/3ggv) | HIV Protease, pseudo-symmetric inhibitors | 分子名称: | V-1 protease, methyl [(1S)-1-{[(1R,3S,4S)-3-hydroxy-4-{[(2S)-2-(3-{[6-(1-hydroxy-1-methylethyl)pyridin-2-yl]methyl}-2-oxo-2,3-dihydro-1H-imidazol-1-yl)-3,3-dimethylbutanoyl]amino}-5-phenyl-1-(4-pyridin-2-ylbenzyl)pentyl]carbamoyl}-2,2-dimethylpropyl]carbamate | 著者 | Stoll, V.S. | 登録日 | 2009-03-02 | 公開日 | 2009-05-26 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (3.09 Å) | 主引用文献 | 2-Pyridyl P1'-substituted symmetry-based human immunodeficiency virus
protease inhibitors (A-792611 and A-790742) with potential for convenient
dosing and reduced side effects. J.Med.Chem., 52, 2009
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3GGA
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![BU of 3gga by Molmil](/molmil-images/mine/3gga) | HIV Protease inhibitors with pseudo-symmetric cores | 分子名称: | V-1 protease, methyl [(1S,4S,5S,7S,10S)-4-benzyl-1,10-di-tert-butyl-5-hydroxy-2,9,12-trioxo-7-(4-pyridin-2-ylbenzyl)-13-oxa-3,8,11-triazatetradec-1-yl]carbamate | 著者 | Stoll, V.S. | 登録日 | 2009-02-27 | 公開日 | 2009-05-26 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | 2-Pyridyl P1'-substituted symmetry-based human immunodeficiency virus
protease inhibitors (A-792611 and A-790742) with potential for convenient
dosing and reduced side effects. J.Med.Chem., 52, 2009
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3S85
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![BU of 3s85 by Molmil](/molmil-images/mine/3s85) | Discovery of New HIV Protease Inhibitors with Potential for Convenient Dosing and Reduced Side Effects: A-790742 and A-792611. | 分子名称: | Protease/reverse transcriptase, methyl N-[(2S)-1-[[(2S,3S,5S)-5-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]-3-oxidanyl-6-phenyl-1-(4-pyridin-3-ylphenyl)hexan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate | 著者 | DeGoey, D.A, Flosi, W.J, Grampovnik, D.J, Flentge, C.A. | 登録日 | 2011-05-27 | 公開日 | 2012-04-11 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | 2-Pyridyl P1'-substituted symmetry-based human immunodeficiency virus protease inhibitors (A-792611 and A-790742) with potential for convenient dosing and reduced side effects. J.Med.Chem., 52, 2009
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2A4F
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![BU of 2a4f by Molmil](/molmil-images/mine/2a4f) | Synthesis and Activity of N-Axyl Azacyclic Urea HIV-1 Protease Inhibitors with High Potency Against Multiple Drug Resistant Viral Strains. | 分子名称: | (5R,6R)-5-BENZYL-6-HYDROXY-2,4-BIS(4-HYDROXY-3-METHOXYBENZYL)-1-[3-(4-HYDROXYPHENYL)PROPANOYL]-1,2,4-TRIAZEPAN-3-ONE, Pol polyprotein | 著者 | Zhao, C, Sham, H, Sun, M, Lin, S, Stoll, V, Stewart, K.D, Mo, H, Vasavanonda, S, Saldivar, A, McDonald, E. | 登録日 | 2005-06-28 | 公開日 | 2005-09-20 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Synthesis and activity of N-acyl azacyclic urea HIV-1 protease inhibitors with high potency against multiple drug resistant viral strains Bioorg.Med.Chem.Lett., 15, 2005
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6VGR
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![BU of 6vgr by Molmil](/molmil-images/mine/6vgr) | |
6VGO
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![BU of 6vgo by Molmil](/molmil-images/mine/6vgo) | |
8D8O
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![BU of 8d8o by Molmil](/molmil-images/mine/8d8o) | Cryo-EM structure of substrate unbound PAPP-A | 分子名称: | Pappalysin-1, ZINC ION | 著者 | Judge, R.A, Jain, R, Hao, Q, Ouch, C, Sridar, J, Smith, C.L, Wang, J.C.K, Eaton, D. | 登録日 | 2022-06-08 | 公開日 | 2022-09-28 | 実験手法 | ELECTRON MICROSCOPY (3.35 Å) | 主引用文献 | Structure of the PAPP-ABP5 complex reveals mechanism of substrate recognition Nat Commun, 13, 2022
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3O2M
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![BU of 3o2m by Molmil](/molmil-images/mine/3o2m) | |
3NEW
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![BU of 3new by Molmil](/molmil-images/mine/3new) | p38-alpha complexed with Compound 10 | 分子名称: | 4-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, Mitogen-activated protein kinase 14 | 著者 | Goedken, E.R, Comess, K.M, Sun, C, Argiriadi, M, Jia, Y, Quinn, C.M, Banach, D.L, Marcotte, D, Borhani, D. | 登録日 | 2010-06-09 | 公開日 | 2010-12-01 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | 主引用文献 | Discovery and Characterization of Non-ATP Site Inhibitors of the Mitogen Activated Protein (MAP) Kinases. Acs Chem.Biol., 6, 2011
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3O17
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![BU of 3o17 by Molmil](/molmil-images/mine/3o17) | |
1N95
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![BU of 1n95 by Molmil](/molmil-images/mine/1n95) | Aryl Tetrahydrophyridine Inhbitors of Farnesyltranferase: Glycine, Phenylalanine and Histidine Derivatives | 分子名称: | 1-[2-(4-CYANO-BENZYLAMINO)-3-(3-METHYL-3H-IMIDAZOL-4-YL)-PROPIONYL]-5-NAPHTHALEN-1-YL-1,2,3,6-TETRAHYDRO-PYRIDINE-4-CARBONITRILE, ALPHA-HYDROXYFARNESYLPHOSPHONIC ACID, Protein farnesyltransferase alpha subunit, ... | 著者 | Gwaltney II, S.L, O'Conner, S.J, Nelson, L.T, Sullivan, G.M, Imade, H, Wang, W, Hasvold, L, Li, Q, Cohen, J, Gu, W.Z. | 登録日 | 2002-11-22 | 公開日 | 2003-01-07 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Aryl tetrahydropyridine inhibitors of farnesyltransferase: glycine, phenylalanine and histidine derivatives. Bioorg.Med.Chem.Lett., 13, 2003
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1N94
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![BU of 1n94 by Molmil](/molmil-images/mine/1n94) | Aryl Tetrahydropyridine Inhbitors of Farnesyltransferase: Glycine, Phenylalanine and Histidine Derivates | 分子名称: | 2-{(5-{[BUTYL-(2-CYCLOHEXYL-ETHYL)-AMINO]-METHYL}-2'-METHYL-BIPHENYL-2-CARBONYL)-AMINO]-4-METHYLSULFANYL-BUTYRIC ACID, ALPHA-HYDROXYFARNESYLPHOSPHONIC ACID, Protein farnesyltransferase alpha subunit, ... | 著者 | Gwaltney II, S.L, O'Connor, S.J, Nelson, L.T, Sullivan, G.M, Imade, H, Wang, W, Hasvold, L, Li, Q, Cohen, J, Gu, W.Z. | 登録日 | 2002-11-22 | 公開日 | 2003-01-07 | 最終更新日 | 2017-10-11 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | Aryl tetrahydropyridine inhibitors of farnesyltransferase: glycine, phenylalanine and histidine derivatives. Bioorg.Med.Chem.Lett., 13, 2003
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1N9A
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![BU of 1n9a by Molmil](/molmil-images/mine/1n9a) | Farnesyltransferase complex with tetrahydropyridine inhibitors | 分子名称: | 1-{2-[3-(4-CYANO-BENZYL)-3H-IMIDAZOL-4-YL]-ACETYL}-5-NAPHTHALEN-1-YL-1,2,3,6-TETRAHYDRO-PYRIDINE-4-CARBONITRILE, ALPHA-HYDROXYFARNESYLPHOSPHONIC ACID, Protein farnesyltransferase alpha subunit, ... | 著者 | Gwaltney II, S.L, O'Conner, S.J, Nelson, L.T, Sullivan, G.M, Imade, H, Wang, W, Hasvold, L, Li, Q, Cohen, J, Gu, W.Z. | 登録日 | 2002-11-22 | 公開日 | 2003-01-07 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Aryl tetrahydropyridine inhibitors of farnesyltransferase: bioavailable analogues with improved cellular potency. Bioorg.Med.Chem.Lett., 13, 2003
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6XR0
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![BU of 6xr0 by Molmil](/molmil-images/mine/6xr0) | Crystal Structure of Human Melanotransferrin in complex with SC57.32 Fab | 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, BICARBONATE ION, ... | 著者 | Hayashi, K, Longenecker, K.L, Vivona, S. | 登録日 | 2020-07-10 | 公開日 | 2021-01-20 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.064 Å) | 主引用文献 | Complex of human Melanotransferrin and SC57.32 Fab fragment reveals novel interdomain arrangement with ferric N-lobe and open C-lobe. Sci Rep, 11, 2021
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6Y4M
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![BU of 6y4m by Molmil](/molmil-images/mine/6y4m) | Structure of Tubulin Tyrosine Ligase in Complex with Tb111 | 分子名称: | (2~{R})-1-methylpiperidine-2-carboxylic acid, (2~{S},4~{R})-4-azanyl-2-methyl-5-phenyl-pentanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | 著者 | Gavrilyuk, J, Nocek, B, Rigol, S, Nicolaou, K.C, Stoll, V. | 登録日 | 2020-02-21 | 公開日 | 2021-03-31 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (3.34 Å) | 主引用文献 | Design, Synthesis, and Biological Evaluation of Tubulysin Analogues, Linker-Drugs, and Antibody-Drug Conjugates, Insights into Structure-Activity Relationships, and Tubulysin-Tubulin Binding Derived from X-ray Crystallographic Analysis. J.Org.Chem., 86, 2021
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6Y4N
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![BU of 6y4n by Molmil](/molmil-images/mine/6y4n) | Structure of Tubulin Tyrosine Ligase in Complex with Tb116 | 分子名称: | (2~{R})-1-methylpiperidine-2-carboxylic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | 著者 | Gavrilyuk, J, Nocek, B, Rigol, S, Nicolaou, K.C, Stoll, V. | 登録日 | 2020-02-21 | 公開日 | 2021-03-31 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.852 Å) | 主引用文献 | Design, Synthesis, and Biological Evaluation of Tubulysin Analogues, Linker-Drugs, and Antibody-Drug Conjugates, Insights into Structure-Activity Relationships, and Tubulysin-Tubulin Binding Derived from X-ray Crystallographic Analysis. J.Org.Chem., 86, 2021
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