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1M6F
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STRONG BINDING IN THE DNA MINOR GROOVE BY AN AROMATIC DIAMIDINE WITH A SHAPE THAT DOES NOT MATCH THE CURVATURE OF THE GROOVE
Descriptor:DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION, 3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-IMINOMETHYL]-BENZAMIDINIUM
Authors:Nguyen, B., Lee, M.P.H., Hamelberg, D., Joubert, A., Bailly, C., Brun, R., Neidle, S., Wilson, W.D.
Deposit date:2002-07-16
Release date:2002-11-15
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Strong Binding in the DNA Minor Groove by an Aromatic Diamidine With a Shape That Does Not Match the Curvature of the Groove
J.Am.Chem.Soc., 124, 2002
3FSM
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CRYSTAL STRUCTURE OF A CHEMICALLY SYNTHESIZED 203 AMINO ACID 'COVALENT DIMER' [L-ALA51,D-ALA51'] HIV-1 PROTEASE MOLECULE
Descriptor:COVALENT DIMER [L-Ala51, D-Ala51'] HIV-1 PROTEASE, N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide
Authors:Torbeev, V.Y., Kent, S.B.H.
Deposit date:2009-01-10
Release date:2010-01-05
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3HAU
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CRYSTAL STRUCTURE OF CHEMICALLY SYNTHESIZED HIV-1 PROTEASE WITH REDUCED ISOSTERE MVT-101 INHIBITOR
Descriptor:HIV-1 protease, N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, SULFATE ION
Authors:Torbeev, V.Y., Kent, S.B.H.
Deposit date:2009-05-02
Release date:2011-04-27
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3HAW
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CRYSTAL STRUCTURE OF [L-ALA51/51']HIV-1 PROTEASE WITH REDUCED ISOSTERE MVT-101 INHIBITOR
Descriptor:[L-Ala51/51']HIV-1 protease, N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, SULFATE ION
Authors:Torbeev, V.Y., Kent, S.B.H.
Deposit date:2009-05-02
Release date:2011-04-27
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3HBO
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CRYSTAL STRUCTURE OF CHEMICALLY SYNTHESIZED [D-ALA51/51']HIV-1 PROTEASE
Descriptor:[D-Ala51/51']HIV-1 protease, N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide
Authors:Torbeev, V.Y., Kent, S.B.H.
Deposit date:2009-05-04
Release date:2010-05-26
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3HDK
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CRYSTAL STRUCTURE OF CHEMICALLY SYNTHESIZED [AIB51/51']HIV-1 PROTEASE
Descriptor:[Aib51/51']HIV-1 protease, N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide
Authors:Torbeev, V.Y., Kent, S.B.H.
Deposit date:2009-05-07
Release date:2010-04-28
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3HLO
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CRYSTAL STRUCTURE OF CHEMICALLY SYNTHESIZED 'COVALENT DIMER' [GLY51/D-ALA51']HIV-1 PROTEASE
Descriptor:'covalent dimer' [Gly51/D-Ala51'] HIV-1 protease, N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide
Authors:Torbeev, V.Y., Kent, S.B.H.
Deposit date:2009-05-27
Release date:2011-07-27
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3IAW
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CRYSTAL STRUCTURE OF A CHEMICALLY SYNTHESIZED 203 AMINO ACID 'COVALENT DIMER' [GLY51;AIB51']HIV-1 PROTEASE MOLECULE COMPLEXED WITH MVT-101 REDUCED ISOSTERE INHIBITOR AT 1.6 A RESOLUTION
Descriptor:[Gly51;Aib51'] 'covalent dimer' HIV-1 protease, N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, SULFATE ION
Authors:Torbeev, V.Y., Kent, S.B.H.
Deposit date:2009-07-14
Release date:2011-04-27
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3KA2
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CRYSTAL STRUCTURE OF CHEMICALLY SYNTHESIZED 203 AMINO ACID 'COVALENT DIMER' [L-ALA;GLY51']HIV-1 PROTEASE MOLECULE COMPLEXED WITH MVT-101 REDUCED ISOSTERE INHIBITOR AT 1.4 A RESOLUTION
Descriptor:[L-Ala51;Gly51']HIV-1 protease, N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide
Authors:Torbeev, V.Y., Kent, S.B.H.
Deposit date:2009-10-18
Release date:2011-04-27
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3NWQ
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X-RAY STRUCTURE OF ESTER CHEMICAL ANALOGUE [O-ILE50,O-ILE50']HIV-1 PROTEASE COMPLEXED WITH MVT-101
Descriptor:protease, N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide
Authors:Torbeev, V.Y., Kent, S.B.H.
Deposit date:2010-07-10
Release date:2011-11-02
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3NWX
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X-RAY STRUCTURE OF ESTER CHEMICAL ANALOGUE [O-ILE50,O-ILE50']HIV-1 PROTEASE COMPLEXED WITH KVS-1 INHIBITOR
Descriptor:protease, SULFATE ION, N~2~-[(2R,5S)-5-({(2S,3S)-2-[(N-acetyl-L-threonyl)amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-L-glutaminyl-L-argininamide
Authors:Torbeev, V.Y., Kent, S.B.H.
Deposit date:2010-07-12
Release date:2011-11-02
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3NXE
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X-RAY STRUCTURE OF ESTER CHEMICAL ANALOGUE 'COVALENT DIMER' [ILE50,O-ILE50']HIV-1 PROTEASE COMPLEXED WITH MVT-101 INHIBITOR
Descriptor:protease covalent dimer, N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, SULFATE ION
Authors:Torbeev, V.Y., Kent, S.B.H.
Deposit date:2010-07-13
Release date:2011-11-02
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3NXN
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X-RAY STRUCTURE OF ESTER CHEMICAL ANALOGUE 'COVALENT DIMER' [ILE50,O-ILE50']HIV-1 PROTEASE COMPLEXED WITH KVS-1 INHIBITOR
Descriptor:protease covalent dimer, N~2~-[(2R,5S)-5-({(2S,3S)-2-[(N-acetyl-L-threonyl)amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-L-glutaminyl-L-argininamide, SULFATE ION
Authors:Torbeev, V.Y., Kent, S.B.H.
Deposit date:2010-07-14
Release date:2011-11-02
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3NYG
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X-RAY STRUCTURE OF ESTER CHEMICAL ANALOGUE [O-GLY51,O-GLY51']HIV-1 PROTEASE COMPLEXED WITH MVT-101 INHIBITOR
Descriptor:protease, N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, SULFATE ION
Authors:Torbeev, V.Y., Kent, S.B.H.
Deposit date:2010-07-15
Release date:2011-11-02
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
4HSJ
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1.88 ANGSTROM X-RAY CRYSTAL STRUCTURE OF PICONLINIC-BOUND 3-HYDROXYANTHRANILATE-3,4-DIOXYGENASE
Descriptor:3-hydroxyanthranilate 3,4-dioxygenase, FE (II) ION, PYRIDINE-2-CARBOXYLIC ACID
Authors:Liu, F., Chen, L., Davis, C.I., Liu, A.
Deposit date:2012-10-30
Release date:2015-05-06
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (1.883 Å)
Cite:An Iron Reservoir to the Catalytic Metal: THE RUBREDOXIN IRON IN AN EXTRADIOL DIOXYGENASE.
J.Biol.Chem., 290, 2015
4HVO
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1.75 ANGSTROM X-RAY CRYSTAL STRUCTURE OF CUFE RECONSTITUTED 3-HYDROXYANTHRANILATE-3,4-DIOXYGENASE FROM CUPRIAVIDUS METALLIDURANS
Descriptor:3-hydroxyanthranilate 3,4-dioxygenase, COPPER (II) ION, FE (II) ION
Authors:Liu, F., Chen, L., Liu, A.
Deposit date:2012-11-06
Release date:2013-11-27
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:An Iron Reservoir to the Catalytic Metal: THE RUBREDOXIN IRON IN AN EXTRADIOL DIOXYGENASE.
J.Biol.Chem., 290, 2015
4HVQ
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X-RAY CRYSTAL STRUCTURE OF FECU RECONSTITUTED 3-HYDROXYANTHRANILATE-3,4-DIOXYGENASE FROM CUPRIAVIDUS METALLIDURANS
Descriptor:3-hydroxyanthranilate 3,4-dioxygenase, FE (II) ION, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
Authors:Liu, F., Chen, L., Liu, A.
Deposit date:2012-11-06
Release date:2013-11-27
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:An Iron Reservoir to the Catalytic Metal: THE RUBREDOXIN IRON IN AN EXTRADIOL DIOXYGENASE.
J.Biol.Chem., 290, 2015
4L2N
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UNDERSTANDING EXTRADIOL DIOXYGENASE MECHANISM IN NAD+ BIOSYNTHESIS BY VIEWING CATALYTIC INTERMEDIATES - LIGAND-FREE STRUCTURE
Descriptor:3-hydroxyanthranilate 3,4-dioxygenase, FE (II) ION, CHLORIDE ION, ...
Authors:Liu, F., Liu, A.
Deposit date:2013-06-04
Release date:2015-05-06
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:An Iron Reservoir to the Catalytic Metal: THE RUBREDOXIN IRON IN AN EXTRADIOL DIOXYGENASE.
J.Biol.Chem., 290, 2015