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3VQ8
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BU of 3vq8 by Molmil
HIV-1 IN core domain in complex with (3R)-3,4-dihydro-2H-chromen-3-ylmethanol
Descriptor: (3R)-3,4-dihydro-2H-chromen-3-ylmethanol, CADMIUM ION, CHLORIDE ION, ...
Authors:Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J.
Deposit date:2012-03-20
Release date:2013-01-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
J Biomol Screen, 18, 2013
3VQ5
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BU of 3vq5 by Molmil
HIV-1 IN core domain in complex with N-METHYL-1-(4-METHYL-2-PHENYL-1,3-THIAZOL-5-YL)METHANAMINE
Descriptor: CADMIUM ION, CHLORIDE ION, N-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine, ...
Authors:Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J.
Deposit date:2012-03-20
Release date:2013-01-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
J Biomol Screen, 18, 2013
3VQ7
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BU of 3vq7 by Molmil
HIV-1 IN core domain in complex with 4-(1H-pyrrol-1-yl)aniline
Descriptor: 4-(1H-pyrrol-1-yl)aniline, CADMIUM ION, POL polyprotein, ...
Authors:Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J.
Deposit date:2012-03-20
Release date:2013-01-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
J Biomol Screen, 18, 2013
3VQA
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BU of 3vqa by Molmil
HIV-1 IN core domain in complex with 1-benzothiophen-6-amine 1,1-dioxide
Descriptor: 1-benzothiophen-6-amine 1,1-dioxide, CADMIUM ION, POL polyprotein, ...
Authors:Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J.
Deposit date:2012-03-20
Release date:2013-01-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
J Biomol Screen, 18, 2013
3WNH
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BU of 3wnh by Molmil
Cyclic hexapeptide PKZDNv in complex with HIV-1 integrase
Descriptor: CADMIUM ION, CHLORIDE ION, Gag-Pol polyprotein, ...
Authors:Wielens, J, Chalmers, D.K, Parker, M.W.
Deposit date:2013-12-10
Release date:2013-12-25
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Hexapeptide mimetics of LEDGF in complex with HIV-1 integrase
to be published
3WNF
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BU of 3wnf by Molmil
Cyclic hexapeptide CKIDNC in complex with HIV-1 integrase
Descriptor: CADMIUM ION, CHLORIDE ION, CKIDNC peptide, ...
Authors:Wielens, J, Chalmers, D.K, Parker, M.W.
Deposit date:2013-12-09
Release date:2013-12-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Hexapeptide mimetics of LEDGF in complex with HIV-1 integrase
to be published
3WNG
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BU of 3wng by Molmil
Cyclic hexapeptide PKIDNp in complex with HIV-1 integrase
Descriptor: CADMIUM ION, CHLORIDE ION, Gag-Pol polyprotein, ...
Authors:Wielens, J, Chalmers, D.K, Parker, M.W.
Deposit date:2013-12-09
Release date:2013-12-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Hexapeptide mimetics of LEDGF in complex with HIV-1 integrase
to be published
3WNE
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BU of 3wne by Molmil
Cyclic hexapeptide PKIDNG in complex with HIV-1 integrase
Descriptor: CADMIUM ION, CHLORIDE ION, Gag-Pol polyprotein, ...
Authors:Wielens, J, Chalmers, D.K, Parker, M.W.
Deposit date:2013-12-09
Release date:2013-12-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Hexapeptide mimetics of LEDGF in complex with HIV-1 integrase
to be published
3ZSX
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BU of 3zsx by Molmil
Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based drug design
Descriptor: 1,2-ETHANEDIOL, 5-({[2-(benzylcarbamoyl)benzyl](prop-2-en-1-yl)amino}methyl)-1,3-benzodioxole-4-carboxylate, ACETATE ION, ...
Authors:Peat, T.S, Newman, J, Rhodes, D.I, Vandergraaff, N, Le, G, Jones, E.D, Smith, J.A, Coates, J.A.V, Thienthong, N, Dolezal, O, Ryan, J.H, Savage, G.P, Francis, C.L, Deadman, J.J.
Deposit date:2011-07-01
Release date:2012-07-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Small Molecule Inhibitors of the Ledgf Site of Human Immunodeficiency Virus Integrase Identified by Fragment Screening and Structure Based Design.
Plos One, 7, 2012
1ASU
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BU of 1asu by Molmil
AVIAN SARCOMA VIRUS INTEGRASE CATALYTIC CORE DOMAIN CRYSTALLIZED FROM 2% PEG 400, 2M AMMONIUM SULFATE, HEPES PH 7.5
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AVIAN SARCOMA VIRUS INTEGRASE
Authors:Bujacz, G, Jaskolski, M, Alexandratos, J, Wlodawer, A.
Deposit date:1995-08-25
Release date:1995-11-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:High-resolution structure of the catalytic domain of avian sarcoma virus integrase.
J.Mol.Biol., 253, 1995
1A5V
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BU of 1a5v by Molmil
ASV INTEGRASE CORE DOMAIN WITH HIV-1 INTEGRASE INHIBITOR Y3 AND MN CATION
Descriptor: 4-ACETYLAMINO-5-HYDROXYNAPHTHALENE-2,7-DISULFONIC ACID, INTEGRASE, MANGANESE (II) ION
Authors:Lubkowski, J, Yang, F, Alexandratos, J, Wlodawer, A.
Deposit date:1998-02-18
Release date:1998-05-27
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the catalytic domain of avian sarcoma virus integrase with a bound HIV-1 integrase-targeted inhibitor.
Proc.Natl.Acad.Sci.USA, 95, 1998
1A5X
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BU of 1a5x by Molmil
ASV INTEGRASE CORE DOMAIN WITH HIV-1 INTEGRASE INHIBITOR Y3
Descriptor: 4-ACETYLAMINO-5-HYDROXYNAPHTHALENE-2,7-DISULFONIC ACID, INTEGRASE
Authors:Lubkowski, J, Yang, F, Alexandratos, J, Wlodawer, A.
Deposit date:1998-02-18
Release date:1998-05-27
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the catalytic domain of avian sarcoma virus integrase with a bound HIV-1 integrase-targeted inhibitor.
Proc.Natl.Acad.Sci.USA, 95, 1998
1BIZ
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BU of 1biz by Molmil
HIV-1 INTEGRASE CORE DOMAIN
Descriptor: CACODYLATE ION, HIV-1 INTEGRASE
Authors:Goldgur, Y, Dyda, F, Hickman, A.B, Jenkins, T.M, Craigie, R, Davies, D.R.
Deposit date:1998-06-21
Release date:1998-08-19
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Three new structures of the core domain of HIV-1 integrase: an active site that binds magnesium.
Proc.Natl.Acad.Sci.USA, 95, 1998
1BL3
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BU of 1bl3 by Molmil
CATALYTIC DOMAIN OF HIV-1 INTEGRASE
Descriptor: INTEGRASE, MAGNESIUM ION
Authors:Maignan, S, Guilloteau, J.P, Zhou-Liu, Q, Clement-Mella, C, Mikol, V.
Deposit date:1998-07-23
Release date:1998-09-30
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of the catalytic domain of HIV-1 integrase free and complexed with its metal cofactor: high level of similarity of the active site with other viral integrases.
J.Mol.Biol., 282, 1998
1A5W
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BU of 1a5w by Molmil
ASV INTEGRASE CORE DOMAIN WITH HIV-1 INTEGRASE INHIBITOR Y3
Descriptor: 4-ACETYLAMINO-5-HYDROXYNAPHTHALENE-2,7-DISULFONIC ACID, INTEGRASE
Authors:Lubkowski, J, Yang, F, Alexandratos, J, Wlodawer, A.
Deposit date:1998-02-18
Release date:1998-05-27
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the catalytic domain of avian sarcoma virus integrase with a bound HIV-1 integrase-targeted inhibitor.
Proc.Natl.Acad.Sci.USA, 95, 1998
1BIU
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BU of 1biu by Molmil
HIV-1 INTEGRASE CORE DOMAIN COMPLEXED WITH MG++
Descriptor: HIV-1 INTEGRASE, MAGNESIUM ION
Authors:Goldgur, Y, Dyda, F, Hickman, A.B, Jenkins, T.M, Craigie, R, Davies, D.R.
Deposit date:1998-06-19
Release date:1998-08-19
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Three new structures of the core domain of HIV-1 integrase: an active site that binds magnesium.
Proc.Natl.Acad.Sci.USA, 95, 1998
1CXQ
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BU of 1cxq by Molmil
ATOMIC RESOLUTION ASV INTEGRASE CORE DOMAIN FROM AMMONIUM SULFATE
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AVIAN SARCOMA VIRUS INTEGRASE, GLYCEROL
Authors:Lubkowski, J, Dauter, Z, Yang, F, Alexandratos, J, Merkel, G, Skalka, A.M, Wlodawer, A.
Deposit date:1999-08-30
Release date:1999-09-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Atomic resolution structures of the core domain of avian sarcoma virus integrase and its D64N mutant.
Biochemistry, 38, 1999
1CZB
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BU of 1czb by Molmil
ATOMIC RESOLUTION ASV INTEGRASE CORE DOMAIN FROM HEPES
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AVIAN SARCOMA VIRUS INTEGRASE
Authors:Lubkowski, J, Dauter, Z, Yang, F, Alexandratos, J, Merkel, G, Skalka, A.M, Wlodawer, A.
Deposit date:1999-09-01
Release date:1999-09-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Atomic resolution structures of the core domain of avian sarcoma virus integrase and its D64N mutant.
Biochemistry, 38, 1999
1BI4
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BU of 1bi4 by Molmil
CATALYTIC DOMAIN OF HIV-1 INTEGRASE
Descriptor: INTEGRASE
Authors:Maignan, S, Guilloteau, J.P, Zhou-Liu, Q, Clement-Mella, C, Mikol, V.
Deposit date:1998-06-22
Release date:1998-11-04
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of the catalytic domain of HIV-1 integrase free and complexed with its metal cofactor: high level of similarity of the active site with other viral integrases.
J.Mol.Biol., 282, 1998
1ASW
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BU of 1asw by Molmil
AVIAN SARCOMA VIRUS INTEGRASE CATALYTIC CORE DOMAIN CRYSTALLIZED FROM 20% PEG 4000, 10% ISOPROPANOL, HEPES PH 7.5 USING SELENOMETHIONINE SUBSTITUTED PROTEIN; DATA COLLECTED AT-165 DEGREES C
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AVIAN SARCOMA VIRUS INTEGRASE, ISOPROPYL ALCOHOL
Authors:Bujacz, G, Jaskolski, M, Alexandratos, J, Wlodawer, A.
Deposit date:1995-08-25
Release date:1995-11-14
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High-resolution structure of the catalytic domain of avian sarcoma virus integrase.
J.Mol.Biol., 253, 1995
1ASV
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BU of 1asv by Molmil
Avian sarcoma virus integrase catalytic core domain
Descriptor: AVIAN SARCOMA VIRUS INTEGRASE
Authors:Bujacz, G, Jaskolski, M, Alexandratos, J, Wlodawer, A.
Deposit date:1995-08-25
Release date:1995-11-14
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:High-resolution structure of the catalytic domain of avian sarcoma virus integrase.
J.Mol.Biol., 253, 1995
1B92
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BU of 1b92 by Molmil
MOBILITY OF AN HIV-1 INTEGRASE ACTIVE SITE LOOP IS CORRELATED WITH CATALYTIC ACTIVITY
Descriptor: CACODYLATE ION, PROTEIN (INTEGRASE), SULFATE ION
Authors:Greenwald, J, Le, V, Butler, S.L, Bushman, F.D, Choe, S.
Deposit date:1999-02-19
Release date:1999-07-19
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:The mobility of an HIV-1 integrase active site loop is correlated with catalytic activity.
Biochemistry, 38, 1999
1B9D
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BU of 1b9d by Molmil
MOBILITY OF AN HIV-1 INTEGRASE ACTIVE SITE LOOP IS CORRELATED WITH CATALYTIC ACTIVITY
Descriptor: CACODYLATE ION, PROTEIN (INTEGRASE), SULFATE ION
Authors:Greenwald, J, Le, V, Butler, S.L, Bushman, F.D, Choe, S.
Deposit date:1999-02-11
Release date:1999-07-19
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The mobility of an HIV-1 integrase active site loop is correlated with catalytic activity.
Biochemistry, 38, 1999
1B9F
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BU of 1b9f by Molmil
MOBILITY OF AN HIV-1 INTEGRASE ACTIVE SITE LOOP IS CORRELATED WITH CATALYTIC ACTIVITY
Descriptor: CACODYLATE ION, PROTEIN (INTEGRASE), SULFATE ION
Authors:Greenwald, J, Le, V, Butler, S.L, Bushman, F.D, Choe, S.
Deposit date:1999-02-11
Release date:1999-07-19
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The mobility of an HIV-1 integrase active site loop is correlated with catalytic activity.
Biochemistry, 38, 1999
1BIS
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BU of 1bis by Molmil
HIV-1 INTEGRASE CORE DOMAIN
Descriptor: HIV-1 INTEGRASE
Authors:Goldgur, Y, Dyda, F, Hickman, A.B, Jenkins, T.M, Craigie, R, Davies, D.R.
Deposit date:1998-06-19
Release date:1998-08-19
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Three new structures of the core domain of HIV-1 integrase: an active site that binds magnesium.
Proc.Natl.Acad.Sci.USA, 95, 1998

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