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4GYE
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BU of 4gye by Molmil
MDR 769 HIV-1 Protease in Complex with Reduced P1F
Descriptor: P1F peptide, Protease
Authors:Dewdney, T.G, Wang, Y, Brunzelle, J, Reiter, S.J, Kovari, I.A, Kovari, L.C.
Deposit date:2012-09-05
Release date:2013-10-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Ligand modifications to reduce the relative resistance of multi-drug resistant HIV-1 protease.
Bioorg.Med.Chem., 21, 2013
4GZF
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BU of 4gzf by Molmil
Multi-drug resistant HIV-1 protease 769 variant with reduced LrF peptide
Descriptor: LrF peptide, Protease
Authors:Dewdney, T.G, Wang, Y, Kovari, I.A, Brunzelle, J.S, Reiter, S.J, Kovari, L.C.
Deposit date:2012-09-06
Release date:2013-10-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Ligand modifications to reduce the relative resistance of multi-drug resistant HIV-1 protease.
Bioorg.Med.Chem., 21, 2013
3JCA
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BU of 3jca by Molmil
Core model of the Mouse Mammary Tumor Virus intasome
Descriptor: 5'-D(*AP*AP*TP*GP*CP*CP*GP*CP*AP*GP*TP*CP*GP*GP*CP*CP*GP*AP*CP*CP*TP*G)-3', 5'-D(*CP*AP*GP*GP*TP*CP*GP*GP*CP*CP*GP*AP*CP*TP*GP*CP*GP*GP*CP*A)-3', Integrase, ...
Authors:Lyumkis, D.L, Ballandras-Colas, A, Brown, M, Cook, N.J, Dewdney, T.G, Demeler, B, Cherepanov, P, Engelman, A.N.
Deposit date:2015-11-24
Release date:2016-02-17
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Cryo-EM reveals a novel octameric integrase structure for betaretroviral intasome function.
Nature, 530, 2016
4FAF
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BU of 4faf by Molmil
Substrate CA/p2 in Complex with a Human Immunodeficiency Virus Type 1 Protease Variant
Descriptor: HIV-1 protease, substrate CA/p2 peptide
Authors:Wang, Y, Dewdney, T.G, Liu, Z, Reiter, S.J, Brunzelle, J.S, Kovari, I.A, Kovari, L.C.
Deposit date:2012-05-22
Release date:2012-08-29
Last modified:2023-07-26
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Higher Desolvation Energy Reduces Molecular Recognition in Multi-Drug Resistant HIV-1 Protease.
Biology (Basel), 1, 2012
4FAE
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BU of 4fae by Molmil
Substrate p2/NC in Complex with a Human Immunodeficiency Virus Type 1 Protease Variant
Descriptor: HIV-1 protease, Substrate p2/NC peptide
Authors:Wang, Y, Dewdney, T.G, Liu, Z, Reiter, S.J, Brunzelle, J.S, Kovari, I.A, Kovari, L.C.
Deposit date:2012-05-22
Release date:2012-08-29
Last modified:2023-07-26
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Higher Desolvation Energy Reduces Molecular Recognition in Multi-Drug Resistant HIV-1 Protease.
Biology (Basel), 1, 2012
4YOA
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BU of 4yoa by Molmil
Crsystal structure HIV-1 Protease MDR769 L33F Complexed with darunavir
Descriptor: (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
Authors: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.
Deposit date:2015-03-11
Release date:2015-07-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.697 Å)
Cite: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
4YOB
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BU of 4yob by Molmil
Crystal Structure of Apo HIV-1 Protease MDR769 L33F
Descriptor: HIV-1 Protease
Authors: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.
Deposit date:2015-03-11
Release date:2015-07-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.504 Å)
Cite: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
4WHJ
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BU of 4whj by Molmil
Myxovirus Resistance Protein 2 (MxB)
Descriptor: Interferon-induced GTP-binding protein Mx2
Authors:Xiong, Y, Fribourgh, J.L, Nguyen, H.C.
Deposit date:2014-09-22
Release date:2014-10-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural Insight into HIV-1 Restriction by MxB.
Cell Host Microbe, 16, 2014
3SO9
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BU of 3so9 by Molmil
Darunavir in Complex with a Human Immunodeficiency Virus Type 1 Protease Variant
Descriptor: (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
Authors:Wang, Y, Liu, Z, Brunzelle, S.J, Kovari, L.C, Kovari, I.A.
Deposit date:2011-06-30
Release date:2011-10-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:The higher barrier of darunavir and tipranavir resistance for HIV-1 protease.
Biochem.Biophys.Res.Commun., 412, 2011
3SPK
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BU of 3spk by Molmil
Tipranavir in Complex with a Human Immunodeficiency Virus Type 1 Protease Variant
Descriptor: 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
Authors:Wang, Y, Liu, Z, Brunzelle, J.S, Kovari, I.A, Kovari, L.C.
Deposit date:2011-07-01
Release date:2011-10-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:The higher barrier of darunavir and tipranavir resistance for HIV-1 protease.
Biochem.Biophys.Res.Commun., 412, 2011
4L1A
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BU of 4l1a by Molmil
Crystallographic study of multi-drug resistant HIV-1 protease Lopinavir complex: mechanism of drug recognition and resistance
Descriptor: 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
Authors:Liu, Z, Yedidi, R.S, Wang, Y, Dewdney, T, Reiter, S, Brunzelle, J, Kovari, I, Kovari, L.
Deposit date:2013-06-03
Release date:2014-04-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystallographic study of multi-drug resistant HIV-1 protease lopinavir complex: mechanism of drug recognition and resistance.
Biochem.Biophys.Res.Commun., 437, 2013
4EYR
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BU of 4eyr by Molmil
Crystal structure of multidrug-resistant clinical isolate 769 HIV-1 protease in complex with ritonavir
Descriptor: HIV-1 PROTEASE, RITONAVIR
Authors:Liu, Z, Yedidi, R.S, Wang, Y, Brunzelle, J.S, Kovari, I.A, Kovari, L.C.
Deposit date:2012-05-01
Release date:2013-01-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
5D7U
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BU of 5d7u by Molmil
Crystal structure of the C-terminal domain of MMTV integrase
Descriptor: ISOPROPYL ALCOHOL, Pr160
Authors:Cook, N.J, Pye, V.E, Ballandras-Colas, A, Engelman, A, Cherepanov, P.
Deposit date:2015-08-14
Release date:2016-02-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Cryo-EM reveals a novel octameric integrase structure for betaretroviral intasome function.
Nature, 530, 2016
5CZ2
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BU of 5cz2 by Molmil
Crystal structure of a two-domain fragment of MMTV integrase
Descriptor: MAGNESIUM ION, Pol polyprotein, ZINC ION
Authors:Cook, N, Ballandras-Colas, A, Engelman, A, Cherepanov, P.
Deposit date:2015-07-31
Release date:2016-02-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Cryo-EM reveals a novel octameric integrase structure for betaretroviral intasome function.
Nature, 530, 2016
5CZ1
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BU of 5cz1 by Molmil
Crystal structure of the catalytic core domain of MMTV integrase
Descriptor: integrase
Authors:Cook, N, Ballandras-Colas, A, Engelman, A, Cherepanov, P.
Deposit date:2015-07-31
Release date:2016-02-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Cryo-EM reveals a novel octameric integrase structure for betaretroviral intasome function.
Nature, 530, 2016

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