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6OGL
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BU of 6ogl by Molmil
X-ray crystal structure of darunavir-resistant HIV-1 protease (P51) in complex with GRL-003
Descriptor: (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(4-fluorophenyl)-3-hydroxybutan-2-yl]carbamate, 1,2-ETHANEDIOL, GLYCEROL, ...
Authors:Bulut, H, Hattori, S.I, Aoki-Ogata, H, Hayashi, H, Aoki, M, Ghosh, A.K, Mitsuya, H.
Deposit date:2019-04-02
Release date:2020-04-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Single atom changes in newly synthesized HIV protease inhibitors reveal structural basis for extreme affinity, high genetic barrier, and adaptation to the HIV protease plasticity.
Sci Rep, 10, 2020
6OGV
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BU of 6ogv by Molmil
X-ray crystal structure of darunavir-resistant HIV-1 protease (P30) in apo state
Descriptor: Protease
Authors:Bulut, H, Hattori, S.I, Aoki-Ogata, H, Hayashi, H, Aoki, M, Ghosh, A.K, Mitsuya, H.
Deposit date:2019-04-03
Release date:2020-04-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Novel HIV-1 protease inhibitors, GRL-142 and its analogs, markedly adapt to the structural plasticity of HIV-1 protease and exerts extreme potency with high genetic barrier
To Be Published
6OGQ
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BU of 6ogq by Molmil
X-ray crystal structure of darunavir-resistant HIV-1 protease (P30) in complex with GRL-003
Descriptor: (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(4-fluorophenyl)-3-hydroxybutan-2-yl]carbamate, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Bulut, H, Hattori, S.I, Aoki-Ogata, H, Hayashi, H, Aoki, M, Ghosh, A.K, Mitsuya, H.
Deposit date:2019-04-03
Release date:2020-04-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Single atom changes in newly synthesized HIV protease inhibitors reveal structural basis for extreme affinity, high genetic barrier, and adaptation to the HIV protease plasticity.
Sci Rep, 10, 2020
6OYR
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BU of 6oyr by Molmil
X-ray crystal structure of wild type HIV-1 protease in complex with GRL-002
Descriptor: (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl {(2S,3R)-1-(3-fluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate, Protease
Authors:Bulut, H, Hattori, S.I, Aoki-Ogata, H, Hayashi, H, Aoki, M, Ghosh, A.K, Mitsuya, H.
Deposit date:2019-05-15
Release date:2020-05-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Single atom changes in newly synthesized HIV protease inhibitors reveal structural basis for extreme affinity, high genetic barrier, and adaptation to the HIV protease plasticity.
Sci Rep, 10, 2020
6OGS
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BU of 6ogs by Molmil
X-ray crystal structure of darunavir-resistant HIV-1 protease (P30) in complex with GRL-001
Descriptor: (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3-fluorophenyl)-3-hydroxybutan-2-yl]carbamate, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Bulut, H, Hattori, S.I, Aoki-Ogata, H, Hayashi, H, Aoki, M, Ghosh, A.K, Mitsuya, H.
Deposit date:2019-04-03
Release date:2020-04-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Single atom changes in newly synthesized HIV protease inhibitors reveal structural basis for extreme affinity, high genetic barrier, and adaptation to the HIV protease plasticity.
Sci Rep, 10, 2020
6OGR
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BU of 6ogr by Molmil
X-ray crystal structure of darunavir-resistant HIV-1 protease (P30) in complex with GRL-142
Descriptor: (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate, 1,2-ETHANEDIOL, Protease
Authors:Bulut, H, Hattori, S.I, Aoki-Ogata, H, Hayashi, H, Aoki, M, Ghosh, A.K, Mitsuya, H.
Deposit date:2019-04-03
Release date:2020-04-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Novel HIV-1 protease inhibitors, GRL-142 and its analogs, markedly adapt to the structural plasticity of HIV-1 protease and exerts extreme potency with high genetic barrier
To Be Published
6OYD
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BU of 6oyd by Molmil
X-ray crystal structure of wild type HIV-1 protease in complex with GRL-004
Descriptor: (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl {(2S,3R)-1-(4-fluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate, Protease
Authors:Bulut, H, Hattori, S.I, Aoki-Ogata, H, Hayashi, H, Aoki, M, Ghosh, A.K, Mitsuya, H.
Deposit date:2019-05-14
Release date:2020-05-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Single atom changes in newly synthesized HIV protease inhibitors reveal structural basis for extreme affinity, high genetic barrier, and adaptation to the HIV protease plasticity.
Sci Rep, 10, 2020
6D0E
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BU of 6d0e by Molmil
X-ray crystal structure of wild type HIV-1 protease in complex with GRL-084-13
Descriptor: (3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate, Protease
Authors:Yedidi, R.S, Hayashi, H, Ghosh, A.K, Mitsuya, H.
Deposit date:2018-04-10
Release date:2019-05-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Novel Central Nervous System (CNS)-Targeting Protease Inhibitors for Drug-Resistant HIV Infection and HIV-Associated CNS Complications.
Antimicrob.Agents Chemother., 63, 2019
4GF7
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BU of 4gf7 by Molmil
Crystal structure of 2-Methyl-3-hydroxypyridine-5-carboxylic acid oxygenase (MHPCO), unliganded form
Descriptor: 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase, BETA-MERCAPTOETHANOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Kobayashi, J, Yoshida, H, Mikami, B, Hayashi, H, Kamitori, S, Sawa, Y, Yagi, T.
Deposit date:2012-08-03
Release date:2013-08-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.581 Å)
Cite:Crystal structure of 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase
To be Published
4H2P
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BU of 4h2p by Molmil
Tetrameric form of 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase (MHPCO)
Descriptor: 1,2-ETHANEDIOL, 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase, BETA-MERCAPTOETHANOL, ...
Authors:Kobayashi, J, Yoshida, H, Mikami, B, Hayashi, H, Kamitori, S, Yagi, T.
Deposit date:2012-09-13
Release date:2013-09-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.981 Å)
Cite:Crystal structure of 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase
To be Published
1L6F
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BU of 1l6f by Molmil
Alanine racemase bound with N-(5'-phosphopyridoxyl)-L-alanine
Descriptor: ALANYL-PYRIDOXAL-5'-PHOSPHATE, alanine racemase
Authors:Watanabe, A, Yoshimura, T, Mikami, B, Hayashi, H, Kagamiyama, H, Esaki, N.
Deposit date:2002-03-09
Release date:2002-06-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Reaction mechanism of alanine racemase from Bacillus stearothermophilus: x-ray crystallographic studies of the enzyme bound with N-(5'-phosphopyridoxyl)alanine.
J.Biol.Chem., 277, 2002
4JY2
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BU of 4jy2 by Molmil
Crystal structure of 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase, native and unliganded form
Descriptor: 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase, BETA-MERCAPTOETHANOL, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Kobayashi, J, Yoshida, H, Kamitori, S, Hayashi, H, Mizutani, K, Takahashi, N, Mikami, B, Yagi, T.
Deposit date:2013-03-28
Release date:2014-04-02
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (1.935 Å)
Cite:Crystal structure of 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase
To be Published
4H2Q
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BU of 4h2q by Molmil
structure of MHPCO-5HN complex
Descriptor: 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase, 5-hydroxypyridine-3-carboxylic acid, BETA-MERCAPTOETHANOL, ...
Authors:Kobayashi, J, Yoshida, H, Mikami, B, Hayashi, H, Kamitori, S, Yagi, T.
Deposit date:2012-09-13
Release date:2013-09-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.502 Å)
Cite:Crystal structure of 2-Methyl-3-hydroxypyridiine-5-carboxylic acid oxygenase
To be Published
4H2R
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BU of 4h2r by Molmil
Structure of MHPCO Y270F mutant, 5-hydroxynicotinic acid complex
Descriptor: 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase, 5-hydroxypyridine-3-carboxylic acid, BETA-MERCAPTOETHANOL, ...
Authors:Kobayashi, J, Yoshida, H, Mikami, B, Hayashi, H, Kamitori, S, Yagi, T.
Deposit date:2012-09-13
Release date:2013-09-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.473 Å)
Cite:Crystal structure of 2-Methyl-3-hydroxypyridine-5-carboxylic acid oxygenase
To be Published
1L6G
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BU of 1l6g by Molmil
Alanine racemase bound with N-(5'-phosphopyridoxyl)-D-alanine
Descriptor: N-(5'-PHOSPHOPYRIDOXYL)-D-ALANINE, alanine racemase
Authors:Watanabe, A, Yoshimura, T, Mikami, B, Hayashi, H, Kagamiyama, H, Esaki, N.
Deposit date:2002-03-10
Release date:2002-06-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Reaction mechanism of alanine racemase from Bacillus stearothermophilus: x-ray crystallographic studies of the enzyme bound with N-(5'-phosphopyridoxyl)alanine.
J.Biol.Chem., 277, 2002
4H2N
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BU of 4h2n by Molmil
Crystal structure of MHPCO, Y270F mutant
Descriptor: 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase, BETA-MERCAPTOETHANOL, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Kobayashi, J, Yoshida, H, Mikami, B, Hayashi, H, Kamitori, S, Yagi, T.
Deposit date:2012-09-12
Release date:2013-09-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.302 Å)
Cite:Crystal structure of 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase
To be Published
4JY3
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BU of 4jy3 by Molmil
Crystal structure of 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase, 5-pyridoxic acid bound form
Descriptor: 1,2-ETHANEDIOL, 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase, 5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carboxylic acid, ...
Authors:Kobayashi, J, Yoshida, H, Kamitori, S, Hayashi, H, Mizutani, K, Takahashi, N, Mikami, B, Yagi, T.
Deposit date:2013-03-29
Release date:2014-04-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Crystal structure of 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase
To be Published
5CON
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BU of 5con by Molmil
X-ray crystal structure of wild type HIV-1 protease in complex with GRL-015
Descriptor: (3R,3aS,4S,7aS)-3-hydroxyhexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, HIV-1 protease
Authors:Yedidi, R.S, Hayashi, H, Aoki, M, Das, D, Ghosh, A.K, Mitsuya, H.
Deposit date:2015-07-20
Release date:2016-01-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:C-5-Modified Tetrahydropyrano-Tetrahydofuran-Derived Protease Inhibitors (PIs) Exert Potent Inhibition of the Replication of HIV-1 Variants Highly Resistant to Various PIs, including Darunavir.
J.Virol., 90, 2015
5COK
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BU of 5cok by Molmil
X-ray crystal structure of wild type HIV-1 protease in complex with GRL-0476
Descriptor: (3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, HIV-1 protease
Authors:Yedidi, R.S, Hayashi, H, Aoki, M, Das, D, Ghosh, A.K, Mitsuya, H.
Deposit date:2015-07-20
Release date:2016-01-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:C-5-Modified Tetrahydropyrano-Tetrahydofuran-Derived Protease Inhibitors (PIs) Exert Potent Inhibition of the Replication of HIV-1 Variants Highly Resistant to Various PIs, including Darunavir.
J.Virol., 90, 2015
5COO
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BU of 5coo by Molmil
X-ray crystal structure of wild type HIV-1 protease in complex with GRL-085
Descriptor: (3R,3aS,4S,7aS)-3-hydroxyhexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-1-(4-methoxyphenyl)-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate, HIV-1 protease
Authors:Yedidi, R.S, Hayashi, H, Aoki, M, Das, D, Ghosh, A.K, Mitsuya, H.
Deposit date:2015-07-20
Release date:2016-01-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:C-5-Modified Tetrahydropyrano-Tetrahydofuran-Derived Protease Inhibitors (PIs) Exert Potent Inhibition of the Replication of HIV-1 Variants Highly Resistant to Various PIs, including Darunavir.
J.Virol., 90, 2015
5COP
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BU of 5cop by Molmil
X-ray crystal structure of wild type HIV-1 protease in complex with GRL-097
Descriptor: (3R,3aS,4S,7aS)-3-hydroxyhexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-(4-methoxyphenyl)butan-2-yl]carbamate, HIV-1 protease
Authors:Yedidi, R.S, Hayashi, H, Aoki, M, Das, D, Ghosh, A.K, Mitsuya, H.
Deposit date:2015-07-20
Release date:2016-01-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:C-5-Modified Tetrahydropyrano-Tetrahydofuran-Derived Protease Inhibitors (PIs) Exert Potent Inhibition of the Replication of HIV-1 Variants Highly Resistant to Various PIs, including Darunavir.
J.Virol., 90, 2015
1WII
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BU of 1wii by Molmil
Solution structure of RSGI RUH-025, a DUF701 domain from mouse cDNA
Descriptor: Hypothetical UPF0222 protein MGC4549, ZINC ION
Authors:Abe, T, Hirota, H, Hayashi, H, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-05-28
Release date:2004-11-28
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of RSGI RUH-025, a DUF701 domain from mouse cDNA
To be Published
5XN2
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BU of 5xn2 by Molmil
HIV-1 reverse transcriptase Q151M:DNA:dGTP ternary complex
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 38-MER DNA aptamer, GLYCEROL, ...
Authors:Yasutake, Y, Tamura, N, Hayashi, H, Maeda, K.
Deposit date:2017-05-17
Release date:2018-02-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.381 Å)
Cite:HIV-1 with HBV-associated Q151M substitution in RT becomes highly susceptible to entecavir: structural insights into HBV-RT inhibition by entecavir.
Sci Rep, 8, 2018
5XN0
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BU of 5xn0 by Molmil
HIV-1 reverse transcriptase Q151M:DNA binary complex
Descriptor: 38-MER DNA aptamer, GLYCEROL, Pol protein, ...
Authors:Yasutake, Y, Tamura, N, Hayashi, H, Maeda, K.
Deposit date:2017-05-17
Release date:2018-02-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.596 Å)
Cite:HIV-1 with HBV-associated Q151M substitution in RT becomes highly susceptible to entecavir: structural insights into HBV-RT inhibition by entecavir.
Sci Rep, 8, 2018
5XN1
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BU of 5xn1 by Molmil
HIV-1 reverse transcriptase Q151M:DNA:entecavir-triphosphate ternary complex
Descriptor: 38-MER DNA aptamer, GLYCEROL, MAGNESIUM ION, ...
Authors:Yasutake, Y, Tamura, N, Hayashi, H, Maeda, K.
Deposit date:2017-05-17
Release date:2018-02-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.446 Å)
Cite:HIV-1 with HBV-associated Q151M substitution in RT becomes highly susceptible to entecavir: structural insights into HBV-RT inhibition by entecavir.
Sci Rep, 8, 2018

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