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4YOB
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Crystal Structure of Apo HIV-1 Protease MDR769 L33F
分子名称: HIV-1 Protease
著者Kuiper, B.D, Keusch, B, Dewdney, T.G, Chordia, P, Ross, K, Brunzelle, J.S, Kovari, I.A, MacArthur, R, Salimnia, H, Kovari, L.C.
登録日2015-03-11
公開日2015-07-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.504 Å)
主引用文献The L33F darunavir resistance mutation acts as a molecular anchor reducing the flexibility of the HIV-1 protease 30s and 80s loops.
Biochem Biophys Rep, 2, 2015
4YOA
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Crsystal structure HIV-1 Protease MDR769 L33F Complexed with darunavir
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, HIV-1 Protease
著者Kuiper, B.D, Keusch, B, Dewdney, T.G, Chordia, P, Brunzelle, J.S, Ross, K, Kovari, I.A, MacArthur, R, Salimnia, H, Kovari, L.C.
登録日2015-03-11
公開日2015-07-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.697 Å)
主引用文献The L33F darunavir resistance mutation acts as a molecular anchor reducing the flexibility of the HIV-1 protease 30s and 80s loops.
Biochem Biophys Rep, 2, 2015
4FAF
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Substrate CA/p2 in Complex with a Human Immunodeficiency Virus Type 1 Protease Variant
分子名称: HIV-1 protease, substrate CA/p2 peptide
著者Wang, Y, Dewdney, T.G, Liu, Z, Reiter, S.J, Brunzelle, J.S, Kovari, I.A, Kovari, L.C.
登録日2012-05-22
公開日2012-08-29
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Higher Desolvation Energy Reduces Molecular Recognition in Multi-Drug Resistant HIV-1 Protease.
Biology (Basel), 1, 2012
4EYR
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Crystal structure of multidrug-resistant clinical isolate 769 HIV-1 protease in complex with ritonavir
分子名称: HIV-1 PROTEASE, RITONAVIR
著者Liu, Z, Yedidi, R.S, Wang, Y, Brunzelle, J.S, Kovari, I.A, Kovari, L.C.
登録日2012-05-01
公開日2013-01-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Insights into the mechanism of drug resistance: X-ray structure analysis of multi-drug resistant HIV-1 protease ritonavir complex.
Biochem.Biophys.Res.Commun., 431, 2013
4FAE
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Substrate p2/NC in Complex with a Human Immunodeficiency Virus Type 1 Protease Variant
分子名称: HIV-1 protease, Substrate p2/NC peptide
著者Wang, Y, Dewdney, T.G, Liu, Z, Reiter, S.J, Brunzelle, J.S, Kovari, I.A, Kovari, L.C.
登録日2012-05-22
公開日2012-08-29
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Higher Desolvation Energy Reduces Molecular Recognition in Multi-Drug Resistant HIV-1 Protease.
Biology (Basel), 1, 2012
4GYE
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MDR 769 HIV-1 Protease in Complex with Reduced P1F
分子名称: P1F peptide, Protease
著者Dewdney, T.G, Wang, Y, Brunzelle, J, Reiter, S.J, Kovari, I.A, Kovari, L.C.
登録日2012-09-05
公開日2013-10-30
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Ligand modifications to reduce the relative resistance of multi-drug resistant HIV-1 protease.
Bioorg.Med.Chem., 21, 2013
4GZF
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Multi-drug resistant HIV-1 protease 769 variant with reduced LrF peptide
分子名称: LrF peptide, Protease
著者Dewdney, T.G, Wang, Y, Kovari, I.A, Brunzelle, J.S, Reiter, S.J, Kovari, L.C.
登録日2012-09-06
公開日2013-10-30
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Ligand modifications to reduce the relative resistance of multi-drug resistant HIV-1 protease.
Bioorg.Med.Chem., 21, 2013
3SPK
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Tipranavir in Complex with a Human Immunodeficiency Virus Type 1 Protease Variant
分子名称: HIV-1 protease, N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO-2H-PYRAN-3-YL]PROPYL}PHENYL)-5-(TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE
著者Wang, Y, Liu, Z, Brunzelle, J.S, Kovari, I.A, Kovari, L.C.
登録日2011-07-01
公開日2011-10-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献The higher barrier of darunavir and tipranavir resistance for HIV-1 protease.
Biochem.Biophys.Res.Commun., 412, 2011
3R0W
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Crystal Structures of Multidrug-resistant HIV-1 Protease in Complex with Mechanism-Based Aspartyl Protease Inhibitors.
分子名称: Multidrug-resistant clinical isolate 769 HIV-1 Protease, N-[(2R)-1-{[(2S,3S)-5-{[(2R)-1-{[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino}-3-chloro-1-oxopropan-2-yl]amino}-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide
著者Yedidi, R.S, Gupta, D, Liu, Z, Brunzelle, J, Kovari, I.A, Woster, P.M, Kovari, L.C.
登録日2011-03-09
公開日2012-04-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structures of multidrug-resistant HIV-1 protease in complex with two potent anti-malarial compounds.
Biochem.Biophys.Res.Commun., 421, 2012
3SO9
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Darunavir in Complex with a Human Immunodeficiency Virus Type 1 Protease Variant
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, HIV-1 protease
著者Wang, Y, Liu, Z, Brunzelle, S.J, Kovari, L.C, Kovari, I.A.
登録日2011-06-30
公開日2011-10-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献The higher barrier of darunavir and tipranavir resistance for HIV-1 protease.
Biochem.Biophys.Res.Commun., 412, 2011
3R0Y
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Crystal Structures of Multidrug-resistant HIV-1 Protease in Complex with Mechanism-Based Aspartyl Protease Inhibitors
分子名称: Multidrug-resistant clinical isolate 769 HIV-1 Protease, N-[(2S)-1-{[(2S,3S)-3-hydroxy-5-oxo-5-{[(2R)-1-oxo-3-phenyl-1-(prop-2-yn-1-ylamino)propan-2-yl]amino}-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide
著者Yedidi, R.S, Gupta, D, Liu, Z, Brunzelle, J, Kovari, I.A, Woster, P.M, Kovari, L.C.
登録日2011-03-09
公開日2012-04-04
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structures of multidrug-resistant HIV-1 protease in complex with two potent anti-malarial compounds.
Biochem.Biophys.Res.Commun., 421, 2012
6B6I
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BU of 6b6i by Molmil
2.4A resolution structure of human Norovirus GII.4 protease
分子名称: 3C-like protease
著者Muzzarelli, K.M, Kuiper, B.D, Spellmon, N.S, Hackett, J, Brunzelle, J.S, Kovari, I.A, Amblard, F, Yang, Z, Schinazi, R.F, Kovari, L.C.
登録日2017-10-02
公開日2018-10-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Structural and Antiviral Studies of the Human Norovirus GII.4 Protease.
Biochemistry, 58, 2019
3OU4
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MDR769 HIV-1 protease complexed with TF/PR hepta-peptide
分子名称: HIV-1 protease, TF/PR substrate peptide
著者Liu, Z, Wang, Y, Brunzelle, J, Kovari, I.A, Kovari, L.C.
登録日2010-09-14
公開日2011-03-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Nine Crystal Structures Determine the Substrate Envelope of the MDR HIV-1 Protease.
Protein J., 30, 2011
3OU3
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MDR769 HIV-1 protease complexed with PR/RT hepta-peptide
分子名称: HIV-1 protease, PR/RT substrate peptide
著者Liu, Z, Wang, Y, Brunzelle, J, Kovari, I.A, Kovari, L.C.
登録日2010-09-14
公開日2011-03-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Nine Crystal Structures Determine the Substrate Envelope of the MDR HIV-1 Protease.
Protein J., 30, 2011
3OUC
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BU of 3ouc by Molmil
MDR769 HIV-1 protease complexed with p2/NC hepta-peptide
分子名称: MDR HIV-1 protease, p2/NC substrate peptide
著者Liu, Z, Wang, Y, Brunzelle, J, Kovari, I.A, Kovari, L.C.
登録日2010-09-14
公開日2011-03-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Nine Crystal Structures Determine the Substrate Envelope of the MDR HIV-1 Protease.
Protein J., 30, 2011
3OUB
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MDR769 HIV-1 protease complexed with NC/p1 hepta-peptide
分子名称: MDR HIV-1 protease, NC/p1 substrate peptide
著者Liu, Z, Wang, Y, Brunzelle, J, Kovari, I.A, Kovari, L.C.
登録日2010-09-14
公開日2011-03-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Nine Crystal Structures Determine the Substrate Envelope of the MDR HIV-1 Protease.
Protein J., 30, 2011
3OUD
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BU of 3oud by Molmil
MDR769 HIV-1 protease complexed with CA/p2 hepta-peptide
分子名称: CA/p2 substrate peptide, MDR HIV-1 protease
著者Liu, Z, Wang, Y, Brunzelle, J, Kovari, I.A, Kovari, L.C.
登録日2010-09-14
公開日2011-03-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Nine Crystal Structures Determine the Substrate Envelope of the MDR HIV-1 Protease.
Protein J., 30, 2011
3OU1
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MDR769 HIV-1 protease complexed with RH/IN hepta-peptide
分子名称: MDR HIV-1 protease, RH/IN substrate peptide
著者Liu, Z, Wang, Y, Brunzelle, J, Kovari, I.A, Kovari, L.C.
登録日2010-09-14
公開日2011-03-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Nine Crystal Structures Determine the Substrate Envelope of the MDR HIV-1 Protease.
Protein J., 30, 2011
3OAI
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BU of 3oai by Molmil
Crystal structure of the extra-cellular domain of human myelin protein zero
分子名称: Maltose-binding periplasmic protein, Myelin protein P0, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Liu, Z, Wang, Y, Brunzelle, J, Kovari, I.A, Sohi, J, Kamholz, J, Kovari, L.C.
登録日2010-08-05
公開日2011-12-21
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of the extracellular domain of human myelin protein zero.
Proteins, 80, 2012
3OTS
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BU of 3ots by Molmil
MDR769 HIV-1 protease complexed with MA/CA hepta-peptide
分子名称: MA/CA substrate peptide, Multi-drug resistant HIV-1 protease
著者Liu, Z, Wang, Y, Brunzelle, J, Kovari, I.A, Kovari, L.C.
登録日2010-09-13
公開日2011-03-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Nine Crystal Structures Determine the Substrate Envelope of the MDR HIV-1 Protease.
Protein J., 30, 2011
3OTY
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MDR769 HIV-1 protease complexed with RT/RH hepta-peptide
分子名称: MDR HIV-1 protease, RT/RH substrate peptide
著者Liu, Z, Wang, Y, Brunzelle, J, Kovari, I.A, Kovari, L.C.
登録日2010-09-14
公開日2011-03-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Nine Crystal Structures Determine the Substrate Envelope of the MDR HIV-1 Protease.
Protein J., 30, 2011
3OUA
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BU of 3oua by Molmil
MDR769 HIV-1 protease complexed with p1/p6 hepta-peptide
分子名称: HIV-1 protease, p1/p6 substrate peptide
著者Liu, Z, Wang, Y, Brunzelle, J, Kovari, I.A, Kovari, L.C.
登録日2010-09-14
公開日2011-03-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Nine Crystal Structures Determine the Substrate Envelope of the MDR HIV-1 Protease.
Protein J., 30, 2011
4NKK
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Crystal structure of a multi-drug resistant clinical isolate-769 HIV-1 protease variant that is resistant to the dimerization inhibitory activity of TLF-PafF
分子名称: HIV-1 protease
著者Yedidi, R.S, Proteasa, G, Kovari, L.C.
登録日2013-11-12
公開日2014-07-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A multi-drug resistant HIV-1 protease is resistant to the dimerization inhibitory activity of TLF-PafF.
J.Mol.Graph.Model., 53C, 2014
4L1A
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Crystallographic study of multi-drug resistant HIV-1 protease Lopinavir complex: mechanism of drug recognition and resistance
分子名称: MDR769 HIV-1 protease, 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
著者Liu, Z, Yedidi, R.S, Wang, Y, Dewdney, T, Reiter, S, Brunzelle, J, Kovari, I, Kovari, L.
登録日2013-06-03
公開日2014-04-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystallographic study of multi-drug resistant HIV-1 protease lopinavir complex: mechanism of drug recognition and resistance.
Biochem.Biophys.Res.Commun., 437, 2013
3OQD
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Crystal Structures of Multidrug-Resistant Clinical Isolate 769 HIV-1 Protease Variants
分子名称: HIV-1 Protease
著者Yedidi, R.S, Proteasa, G, Martinez-Cajas, J.L, Vickrey, J.F, Martin, P.D, Wawrzak, Z, Kovari, L.C.
登録日2010-09-02
公開日2011-04-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Contribution of the 80s loop of HIV-1 protease to the multidrug-resistance mechanism: crystallographic study of MDR769 HIV-1 protease variants.
Acta Crystallogr.,Sect.D, 67, 2011

 

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