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BU of 1m6f by Molmil

Strong Binding in the DNA Minor Groove by an Aromatic Diamidine With a Shape That Does Not Match the Curvature of the Groove
分子名称:	3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-IMINOMETHYL]-BENZAMIDINIUM, DNA (5'-D(CPGPCPGPAPAPTPTPCPGPCPG)-3'), MAGNESIUM ION
著者	Nguyen, B, Lee, M.P.H, Hamelberg, D, Joubert, A, Bailly, C, Brun, R, Neidle, S, Wilson, W.D.
登録日	2002-07-16
公開日	2002-11-15
最終更新日	2024-04-03
実験手法	X-RAY DIFFRACTION (1.78 Å)
主引用文献	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

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BU of 3nwq by Molmil

X-ray structure of ester chemical analogue [O-Ile50,O-Ile50']HIV-1 protease complexed with MVT-101
分子名称:	N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, protease
著者	Torbeev, V.Y, Kent, S.B.H.
登録日	2010-07-10
公開日	2011-11-02
最終更新日	2018-01-24
実験手法	X-RAY DIFFRACTION (1.5 Å)
主引用文献	Protein conformational dynamics in the mechanism of HIV-1 protease catalysis. Proc.Natl.Acad.Sci.USA, 108, 2011

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BU of 3ka2 by Molmil

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
分子名称:	N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, [L-Ala51;Gly51']HIV-1 protease
著者	Torbeev, V.Y, Kent, S.B.H.
登録日	2009-10-18
公開日	2011-04-27
最終更新日	2023-11-22
実験手法	X-RAY DIFFRACTION (1.4 Å)
主引用文献	Protein conformational dynamics in the mechanism of HIV-1 protease catalysis. Proc.Natl.Acad.Sci.USA, 108, 2011

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BU of 6pld by Molmil

Crystal Structure of Pseudomonas aeruginosa D-Arginine Dehydrogenase Y249F variant with 6-OH-FAD - Green fraction
分子名称:	6-HYDROXY-FLAVIN-ADENINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, FAD-dependent catabolic D-arginine dehydrogenase DauA, ...
著者	Reis, R.A.G, Iyer, A, Agniswamy, J, Gannavaram, S, Weber, I, Gadda, G.
登録日	2019-06-30
公開日	2020-07-01
最終更新日	2023-10-11
実験手法	X-RAY DIFFRACTION (1.55 Å)
主引用文献	A Single-Point Mutation in d-Arginine Dehydrogenase Unlocks a Transient Conformational State Resulting in Altered Cofactor Reactivity. Biochemistry, 60, 2021

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BU of 6p9d by Molmil

Crystal Structure of Pseudomonas aeruginosa D-Arginine Dehydrogenase Y249F variant with FAD - Yellow fraction
分子名称:	DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, FAD-dependent catabolic D-arginine dehydrogenase DauA, GLYCEROL
著者	Reis, R.A.G, Iyer, A, Agniswamy, J, Gannavaram, S, Weber, I, Gadda, G.
登録日	2019-06-10
公開日	2020-06-17
最終更新日	2023-10-11
実験手法	X-RAY DIFFRACTION (1.329 Å)
主引用文献	A Single-Point Mutation in d-Arginine Dehydrogenase Unlocks a Transient Conformational State Resulting in Altered Cofactor Reactivity. Biochemistry, 60, 2021

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BU of 3nxe by Molmil

X-ray structure of ester chemical analogue 'covalent dimer' [Ile50,O-Ile50']HIV-1 protease complexed with MVT-101 inhibitor
分子名称:	N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, SULFATE ION, protease covalent dimer
著者	Torbeev, V.Y, Kent, S.B.H.
登録日	2010-07-13
公開日	2011-11-02
最終更新日	2012-12-12
実験手法	X-RAY DIFFRACTION (1.61 Å)
主引用文献	Protein conformational dynamics in the mechanism of HIV-1 protease catalysis. Proc.Natl.Acad.Sci.USA, 108, 2011

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BU of 3nwx by Molmil

X-ray structure of ester chemical analogue [O-Ile50,O-Ile50']HIV-1 protease complexed with KVS-1 inhibitor
分子名称:	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, protease
著者	Torbeev, V.Y, Kent, S.B.H.
登録日	2010-07-12
公開日	2011-11-02
最終更新日	2019-07-31
実験手法	X-RAY DIFFRACTION (1.9 Å)
主引用文献	Protein conformational dynamics in the mechanism of HIV-1 protease catalysis. Proc.Natl.Acad.Sci.USA, 108, 2011

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BU of 3nxn by Molmil

X-ray structure of ester chemical analogue 'covalent dimer' [Ile50,O-Ile50']HIV-1 protease complexed with KVS-1 inhibitor
分子名称:	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, protease covalent dimer
著者	Torbeev, V.Y, Kent, S.B.H.
登録日	2010-07-14
公開日	2011-11-02
最終更新日	2019-07-31
実験手法	X-RAY DIFFRACTION (1.8 Å)
主引用文献	Protein conformational dynamics in the mechanism of HIV-1 protease catalysis. Proc.Natl.Acad.Sci.USA, 108, 2011

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BU of 3nyg by Molmil

X-ray structure of ester chemical analogue [O-Gly51,O-Gly51']HIV-1 protease complexed with MVT-101 inhibitor
分子名称:	N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, SULFATE ION, protease
著者	Torbeev, V.Y, Kent, S.B.H.
登録日	2010-07-15
公開日	2011-11-02
最終更新日	2024-03-27
実験手法	X-RAY DIFFRACTION (1.45 Å)
主引用文献	Protein conformational dynamics in the mechanism of HIV-1 protease catalysis. Proc.Natl.Acad.Sci.USA, 108, 2011

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BU of 4hvo by Molmil

1.75 angstrom x-ray crystal structure of cufe reconstituted 3-hydroxyanthranilate-3,4-dioxygenase from cupriavidus metallidurans
分子名称:	3-hydroxyanthranilate 3,4-dioxygenase, COPPER (II) ION, FE (II) ION
著者	Liu, F, Chen, L, Liu, A.
登録日	2012-11-06
公開日	2013-11-27
最終更新日	2023-09-20
実験手法	X-RAY DIFFRACTION (1.75 Å)
主引用文献	An Iron Reservoir to the Catalytic Metal: THE RUBREDOXIN IRON IN AN EXTRADIOL DIOXYGENASE. J.Biol.Chem., 290, 2015

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BU of 4hvq by Molmil

X-ray crystal structure of FECU reconstituted 3-hydroxyanthranilate-3,4-dioxygenase from cupriavidus metallidurans
分子名称:	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyanthranilate 3,4-dioxygenase, FE (II) ION
著者	Liu, F, Chen, L, Liu, A.
登録日	2012-11-06
公開日	2013-11-27
最終更新日	2024-02-28
実験手法	X-RAY DIFFRACTION (2.81 Å)
主引用文献	An Iron Reservoir to the Catalytic Metal: THE RUBREDOXIN IRON IN AN EXTRADIOL DIOXYGENASE. J.Biol.Chem., 290, 2015

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BU of 4hsj by Molmil

1.88 angstrom x-ray crystal structure of piconlinic-bound 3-hydroxyanthranilate-3,4-dioxygenase
分子名称:	3-hydroxyanthranilate 3,4-dioxygenase, FE (II) ION, PYRIDINE-2-CARBOXYLIC ACID
著者	Liu, F, Chen, L, Davis, C.I, Liu, A.
登録日	2012-10-30
公開日	2015-05-06
最終更新日	2023-09-20
実験手法	X-RAY DIFFRACTION (1.883 Å)
主引用文献	An Iron Reservoir to the Catalytic Metal: THE RUBREDOXIN IRON IN AN EXTRADIOL DIOXYGENASE. J.Biol.Chem., 290, 2015

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BU of 4l2n by Molmil

Understanding Extradiol Dioxygenase Mechanism in NAD+ Biosynthesis by Viewing Catalytic Intermediates - ligand-free structure
分子名称:	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyanthranilate 3,4-dioxygenase, CHLORIDE ION, ...
著者	Liu, F, Liu, A.
登録日	2013-06-04
公開日	2015-05-06
最終更新日	2023-09-20
実験手法	X-RAY DIFFRACTION (1.74 Å)
主引用文献	An Iron Reservoir to the Catalytic Metal: THE RUBREDOXIN IRON IN AN EXTRADIOL DIOXYGENASE. J.Biol.Chem., 290, 2015

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BU of 3hau by Molmil

Crystal structure of chemically synthesized HIV-1 protease with reduced isostere MVT-101 inhibitor
分子名称:	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
著者	Torbeev, V.Y, Kent, S.B.H.
登録日	2009-05-02
公開日	2011-04-27
最終更新日	2012-12-12
実験手法	X-RAY DIFFRACTION (1.3 Å)
主引用文献	Protein conformational dynamics in the mechanism of HIV-1 protease catalysis. Proc.Natl.Acad.Sci.USA, 108, 2011

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BU of 3hdk by Molmil

Crystal structure of chemically synthesized [Aib51/51']HIV-1 protease
分子名称:	N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, [Aib51/51']HIV-1 protease
著者	Torbeev, V.Y, Kent, S.B.H.
登録日	2009-05-07
公開日	2010-04-28
最終更新日	2012-12-12
実験手法	X-RAY DIFFRACTION (1.8 Å)
主引用文献	Protein conformational dynamics in the mechanism of HIV-1 protease catalysis. Proc.Natl.Acad.Sci.USA, 108, 2011

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BU of 3hlo by Molmil

Crystal structure of chemically synthesized 'covalent dimer' [Gly51/D-Ala51']HIV-1 protease
分子名称:	'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
著者	Torbeev, V.Y, Kent, S.B.H.
登録日	2009-05-27
公開日	2011-07-27
最終更新日	2012-12-12
実験手法	X-RAY DIFFRACTION (1.6 Å)
主引用文献	Protein conformational dynamics in the mechanism of HIV-1 protease catalysis. Proc.Natl.Acad.Sci.USA, 108, 2011

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BU of 3fsm by Molmil

CRYSTAL STRUCTURE OF A CHEMICALLY SYNTHESIZED 203 AMINO ACID 'COVALENT DIMER' [L-Ala51,D-Ala51'] HIV-1 PROTEASE MOLECULE
分子名称:	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
著者	Torbeev, V.Y, Kent, S.B.H.
登録日	2009-01-10
公開日	2010-01-05
最終更新日	2024-03-13
実験手法	X-RAY DIFFRACTION (1.6 Å)
主引用文献	Protein conformational dynamics in the mechanism of HIV-1 protease catalysis. Proc.Natl.Acad.Sci.USA, 108, 2011

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BU of 3iaw by Molmil

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
分子名称:	N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, SULFATE ION, [Gly51;Aib51'] 'covalent dimer' HIV-1 protease
著者	Torbeev, V.Y, Kent, S.B.H.
登録日	2009-07-14
公開日	2011-04-27
最終更新日	2012-12-12
実験手法	X-RAY DIFFRACTION (1.61 Å)
主引用文献	Protein conformational dynamics in the mechanism of HIV-1 protease catalysis. Proc.Natl.Acad.Sci.USA, 108, 2011

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BU of 3hbo by Molmil

Crystal structure of chemically synthesized [D-Ala51/51']HIV-1 protease
分子名称:	N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, [D-Ala51/51']HIV-1 protease
著者	Torbeev, V.Y, Kent, S.B.H.
登録日	2009-05-04
公開日	2010-05-26
最終更新日	2012-12-12
実験手法	X-RAY DIFFRACTION (1.71 Å)
主引用文献	Protein conformational dynamics in the mechanism of HIV-1 protease catalysis. Proc.Natl.Acad.Sci.USA, 108, 2011

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BU of 3haw by Molmil

Crystal structure of [L-Ala51/51']HIV-1 protease with reduced isostere MVT-101 inhibitor
分子名称:	N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, SULFATE ION, [L-Ala51/51']HIV-1 protease
著者	Torbeev, V.Y, Kent, S.B.H.
登録日	2009-05-02
公開日	2011-04-27
最終更新日	2012-12-12
実験手法	X-RAY DIFFRACTION (1.3 Å)
主引用文献	Protein conformational dynamics in the mechanism of HIV-1 protease catalysis. Proc.Natl.Acad.Sci.USA, 108, 2011

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