1T7K
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![BU of 1t7k by Molmil](/molmil-images/mine/1t7k) | Crystal Structure of HIV Protease complexed with Arylsulfonamide azacyclic urea | 分子名称: | 3-({5-BENZYL-6-HYDROXY-2,4-BIS-(4-HYDROXY-BENZYL)-3-OXO-[1,2,4]-TRIAZEPANE-1-SULFONYL)-BENZONITRILE, Pol polyprotein [Contains: Protease (Retropepsin)] | 著者 | Huang, P.P, Randolph, J.T, Klein, L.L, Vasavanonda, S, Dekhtyar, T, Stoll, V.S, Kempf, D.J. | 登録日 | 2004-05-10 | 公開日 | 2004-10-05 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Synthesis and Antiviral Activity of P1' Arylsulfonamide Azacyclic Urea HIV Protease Inhibitors Bioorg.Med.Chem.Lett., 14, 2004
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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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1YT9
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![BU of 1yt9 by Molmil](/molmil-images/mine/1yt9) | HIV Protease with oximinoarylsulfonamide bound | 分子名称: | (S)-N-((2S,3R)-3-HYDROXY-4-(4-((E)-(HYDROXYIMINO)METHYL)-N-ISOBUTYLPHENYLSULFONAMIDO)-1-PHENYLBUTAN-2-YL)-3-METHYL-2-(3 -((2-METHYLTHIAZOL-4-YL)METHYL)-2-OXOIMIDAZOLIDIN-1-YL)BUTANAMIDE, Pol polyprotein | 著者 | Yeung, C.M, Klein, L.L, Flentge, C.A, Randolph, J.T, Zhao, C, Sun, M, Dekhtyar, T, Stoll, V.S, Kempf, D.J. | 登録日 | 2005-02-10 | 公開日 | 2005-04-12 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Oximinoarylsulfonamides as potent HIV protease inhibitors. Bioorg.Med.Chem.Lett., 15, 2005
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1HXW
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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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9HVP
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![BU of 9hvp by Molmil](/molmil-images/mine/9hvp) | Design, activity and 2.8 Angstroms crystal structure of a C2 symmetric inhibitor complexed to HIV-1 protease | 分子名称: | HIV-1 Protease, benzyl [(1R,4S,6S,9R)-4,6-dibenzyl-5-hydroxy-1,9-bis(1-methylethyl)-2,8,11-trioxo-13-phenyl-12-oxa-3,7,10-triazatridec-1-yl]carbamate | 著者 | Neidhart, D.J, Erickson, J. | 登録日 | 1990-11-06 | 公開日 | 1992-04-15 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Design, activity, and 2.8 A crystal structure of a C2 symmetric inhibitor complexed to HIV-1 protease. Science, 249, 1990
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4PHV
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![BU of 4phv by Molmil](/molmil-images/mine/4phv) | X-RAY CRYSTAL STRUCTURE OF THE HIV PROTEASE COMPLEX WITH L-700,417, AN INHIBITOR WITH PSEUDO C2 SYMMETRY | 分子名称: | HIV-1 PROTEASE, N,N-BIS(2-HYDROXY-1-INDANYL)-2,6- DIPHENYLMETHYL-4-HYDROXY-1,7-HEPTANDIAMIDE | 著者 | Bone, R. | 登録日 | 1991-10-04 | 公開日 | 1993-10-31 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | X-Ray Crystal Structure of the HIV Protease Complex with L-700,417, an Inhibitor with Pseudo C2 Symmetry J.Am.Chem.Soc., 113, 1991
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5YOJ
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![BU of 5yoj by Molmil](/molmil-images/mine/5yoj) | Structure of A17 HIV-1 Protease in Complex with Inhibitor KNI-1657 | 分子名称: | (4R)-N-[(2,6-dimethylphenyl)methyl]-3-[(2S,3S)-3-[[(2S)-2-[(7-methoxy-1-benzofuran-2-yl)carbonylamino]-2-[(3R)-oxolan-3 -yl]ethanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, A17 HIV-1 protease, GLYCEROL | 著者 | Adachi, M, Hidaka, K, Kuroki, R, Kiso, Y. | 登録日 | 2017-10-29 | 公開日 | 2018-07-11 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Identification of Highly Potent Human Immunodeficiency Virus Type-1 Protease Inhibitors against Lopinavir and Darunavir Resistant Viruses from Allophenylnorstatine-Based Peptidomimetics with P2 Tetrahydrofuranylglycine. J. Med. Chem., 61, 2018
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5YOK
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![BU of 5yok by Molmil](/molmil-images/mine/5yok) | Structure of HIV-1 Protease in Complex with Inhibitor KNI-1657 | 分子名称: | (4R)-N-[(2,6-dimethylphenyl)methyl]-3-[(2S,3S)-3-[[(2S)-2-[(7-methoxy-1-benzofuran-2-yl)carbonylamino]-2-[(3R)-oxolan-3 -yl]ethanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, GLYCEROL, HIV-1 PROTEASE | 著者 | Adachi, M, Hidaka, K, Kuroki, R, Kiso, Y. | 登録日 | 2017-10-29 | 公開日 | 2018-07-18 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (0.85 Å) | 主引用文献 | Identification of Highly Potent Human Immunodeficiency Virus Type-1 Protease Inhibitors against Lopinavir and Darunavir Resistant Viruses from Allophenylnorstatine-Based Peptidomimetics with P2 Tetrahydrofuranylglycine. J. Med. Chem., 61, 2018
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6BFA
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![BU of 6bfa by Molmil](/molmil-images/mine/6bfa) | Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1553 | 分子名称: | 1-{4-amino-3-[6-(cyclopropyloxy)naphthalen-2-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol, Calmodulin-domain protein kinase 1 | 著者 | Merritt, E.A. | 登録日 | 2017-10-26 | 公開日 | 2017-12-06 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Development of an Orally Available and Central Nervous System (CNS) Penetrant Toxoplasma gondii Calcium-Dependent Protein Kinase 1 (TgCDPK1) Inhibitor with Minimal Human Ether-a-go-go-Related Gene (hERG) Activity for the Treatment of Toxoplasmosis. J. Med. Chem., 59, 2016
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4TZR
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![BU of 4tzr by Molmil](/molmil-images/mine/4tzr) | Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1561 | 分子名称: | 1-{4-amino-3-[2-(cyclopropyloxy)quinolin-6-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol, Calmodulin-domain protein kinase 1 | 著者 | Merritt, E.A. | 登録日 | 2014-07-10 | 公開日 | 2014-08-27 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Development of an Orally Available and Central Nervous System (CNS) Penetrant Toxoplasma gondii Calcium-Dependent Protein Kinase 1 (TgCDPK1) Inhibitor with Minimal Human Ether-a-go-go-Related Gene (hERG) Activity for the Treatment of Toxoplasmosis. J. Med. Chem., 59, 2016
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1N49
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![BU of 1n49 by Molmil](/molmil-images/mine/1n49) | Viability of a Drug-Resistant HIV-1 Protease Variant: Structural Insights for Better Anti-Viral Therapy | 分子名称: | Protease, RITONAVIR | 著者 | Prabu-Jeyabalan, M, Nalivaika, E.A, King, N.M, Schiffer, C.A. | 登録日 | 2002-10-30 | 公開日 | 2003-01-07 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Viability of a Drug-Resistant Human Immunodeficiency Virus Type 1 Protease Variant:
Structural Insights for Better Antiviral Therapy J.VIROL., 77, 2003
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3A2O
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![BU of 3a2o by Molmil](/molmil-images/mine/3a2o) | Crystal Structure of HIV-1 Protease Complexed with KNI-1689 | 分子名称: | (4R)-3-[(2S,3S)-3-{[(4-amino-2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-N-(2-methylprop -2-en-1-yl)-1,3-thiazolidine-4-carboxamide, GLYCEROL, PROTEASE | 著者 | Adachi, M, Tamada, T, Hidaka, K, Kimura, T, Kiso, Y, Kuroki, R. | 登録日 | 2009-05-26 | 公開日 | 2010-03-02 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (0.88 Å) | 主引用文献 | Small-sized human immunodeficiency virus type-1 protease inhibitors containing allophenylnorstatine to explore the S2' pocket. 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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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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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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1HVC
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![BU of 1hvc by Molmil](/molmil-images/mine/1hvc) | CRYSTAL STRUCTURE OF A TETHERED DIMER OF HIV-1 PROTEASE COMPLEXED WITH AN INHIBITOR | 分子名称: | HIV-1 PROTEASE, N-{1-BENZYL-(2S,3S)-2,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE | 著者 | Bhat, T.N, Baldwin, E.T, Erickson, J.W. | 登録日 | 1994-06-22 | 公開日 | 1994-10-15 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal structure of a tethered dimer of HIV-1 proteinase complexed with an inhibitor. Nat.Struct.Biol., 1, 1994
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1PRO
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![BU of 1pro by Molmil](/molmil-images/mine/1pro) | HIV-1 PROTEASE DIMER COMPLEXED WITH A-98881 | 分子名称: | (5R,6R)-2,4-BIS-(4-HYDROXY-3-METHOXYBENZYL)-1,5-DIBENZYL-3-OXO-6-HYDROXY-1,2,4-TRIAZACYCLOHEPTANE, HIV-1 PROTEASE | 著者 | Park, C.H, Kong, X.P, Dealwis, C.G. | 登録日 | 1995-07-18 | 公開日 | 1996-08-17 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | A novel, picomolar inhibitor of human immunodeficiency virus type 1 protease. J.Med.Chem., 39, 1996
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5TFR
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![BU of 5tfr by Molmil](/molmil-images/mine/5tfr) | Crystal structure of Zika Virus NS5 protein | 分子名称: | Genome polyprotein, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION | 著者 | Longenecker, K.L, Upadhyay, A.K. | 登録日 | 2016-09-26 | 公開日 | 2016-10-12 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | 主引用文献 | Crystal structure of full-length Zika virus NS5 protein reveals a conformation similar to Japanese encephalitis virus NS5. Acta Crystallogr F Struct Biol Commun, 73, 2017
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5K4Z
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![BU of 5k4z by Molmil](/molmil-images/mine/5k4z) | M. thermoresistible IMPDH in complex with IMP and Compound 6 | 分子名称: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, ~{N}-(4-fluorophenyl)-4-(2~{H}-indazol-6-ylsulfamoyl)-3,5-dimethyl-1~{H}-pyrrole-2-carboxamide | 著者 | Pacitto, A, Ascher, D.B, Blundell, T.L. | 登録日 | 2016-05-22 | 公開日 | 2016-10-19 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | Essential but Not Vulnerable: Indazole Sulfonamides Targeting Inosine Monophosphate Dehydrogenase as Potential Leads against Mycobacterium tuberculosis. ACS Infect Dis, 3, 2017
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5K4X
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![BU of 5k4x by Molmil](/molmil-images/mine/5k4x) | M. thermoresistible IMPDH in complex with IMP and Compound 1 | 分子名称: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, ~{N}-(2~{H}-indazol-6-yl)-3,5-dimethyl-1~{H}-pyrazole-4-sulfonamide | 著者 | Pacitto, A, Ascher, D.B, Blundell, T.L. | 登録日 | 2016-05-22 | 公開日 | 2016-10-19 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | 主引用文献 | Essential but Not Vulnerable: Indazole Sulfonamides Targeting Inosine Monophosphate Dehydrogenase as Potential Leads against Mycobacterium tuberculosis. ACS Infect Dis, 3, 2017
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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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2KP8
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![BU of 2kp8 by Molmil](/molmil-images/mine/2kp8) | |
1HVS
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![BU of 1hvs by Molmil](/molmil-images/mine/1hvs) | STRUCTURAL BASIS OF DRUG RESISTANCE FOR THE V82A MUTANT OF HIV-1 PROTEASE: BACKBONE FLEXIBILITY AND SUBSITE REPACKING | 分子名称: | HIV-1 PROTEASE, N-{1-BENZYL-(2R,3S)-2,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE | 著者 | Baldwin, E.T, Bhat, T.N, Liu, B, Pattabiraman, N, Erickson, J.W. | 登録日 | 1994-11-17 | 公開日 | 1995-02-14 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Structural basis of drug resistance for the V82A mutant of HIV-1 proteinase. Nat.Struct.Biol., 2, 1995
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