Author results

1IX6
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ASPARTATE AMINOTRANSFERASE ACTIVE SITE MUTANT V39F
Descriptor:Aspartate Aminotransferase, PYRIDOXAL-5'-PHOSPHATE
Authors:Hayashi, H., Mizuguchi, H., Miyahara, I., Nakajima, Y., Hirotsu, K., Kagamiyama, H.
Deposit date:2002-06-14
Release date:2002-07-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Conformational change in aspartate aminotransferase on substrate binding induces strain in the catalytic group and enhances catalysis
J.BIOL.CHEM., 278, 2003
1IX7
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ASPARTATE AMINOTRANSFERASE ACTIVE SITE MUTANT V39F MALEATE COMPLEX
Descriptor:Aspartate Aminotransferase, PYRIDOXAL-5'-PHOSPHATE, MALEIC ACID
Authors:Hayashi, H., Mizuguchi, H., Miyahara, I., Nakajima, Y., Hirotsu, K., Kagamiyama, H.
Deposit date:2002-06-14
Release date:2002-07-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Conformational change in aspartate aminotransferase on substrate binding induces strain in the catalytic group and enhances catalysis
J.BIOL.CHEM., 278, 2003
1IX8
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ASPARTATE AMINOTRANSFERASE ACTIVE SITE MUTANT V39F/N194A
Descriptor:Aspartate Aminotransferase, PYRIDOXAL-5'-PHOSPHATE
Authors:Hayashi, H., Mizuguchi, H., Miyahara, I., Nakajima, Y., Hirotsu, K., Kagamiyama, H.
Deposit date:2002-06-14
Release date:2002-07-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Conformational change in aspartate aminotransferase on substrate binding induces strain in the catalytic group and enhances catalysis
J.BIOL.CHEM., 278, 2003
5TYR
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X-RAY CRYSTAL STRUCTURE OF WILD TYPE HIV-1 PROTEASE IN COMPLEX WITH GRL-121
Descriptor:Protease, (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]-3-hydroxy-1-phenylbutan-2-yl}carbamate
Authors:Yedidi, R.S., Hayashi, H., Aoki, M., Das, D., Ghosh, A.K., Mitsuya, H.
Deposit date:2016-11-21
Release date:2017-10-18
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A novel central nervous system-penetrating protease inhibitor overcomes human immunodeficiency virus 1 resistance with unprecedented aM to pM potency.
Elife, 6, 2017
5TYS
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X-RAY CRYSTAL STRUCTURE OF WILD TYPE HIV-1 PROTEASE IN COMPLEX WITH GRL-142
Descriptor:Protease, (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
Authors:Yedidi, R.S., Hayashi, H., Aoki, M., Das, D., Ghosh, A.K., Mitsuya, H.
Deposit date:2016-11-21
Release date:2017-10-18
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (2.007 Å)
Cite:A novel central nervous system-penetrating protease inhibitor overcomes human immunodeficiency virus 1 resistance with unprecedented aM to pM potency.
Elife, 6, 2017
6OGL
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X-RAY CRYSTAL STRUCTURE OF DARUNAVIR-RESISTANT HIV-1 PROTEASE (P51) IN COMPLEX WITH GRL-003
Descriptor:Protease, GLYCEROL, 1,2-ETHANEDIOL, ...
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
Method:X-RAY DIFFRACTION (1.21 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
6OGP
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X-RAY CRYSTAL STRUCTURE OF WILD TYPE HIV-1 PROTEASE IN COMPLEX WITH GRL-063
Descriptor:Protease, 1,2-ETHANEDIOL, (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl {(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate
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
Method:X-RAY DIFFRACTION (1.53 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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X-RAY CRYSTAL STRUCTURE OF DARUNAVIR-RESISTANT HIV-1 PROTEASE (P30) IN COMPLEX WITH GRL-003
Descriptor:Protease, GLYCEROL, DI(HYDROXYETHYL)ETHER, ...
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
Method:X-RAY DIFFRACTION (1.41 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
6OGR
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X-RAY CRYSTAL STRUCTURE OF DARUNAVIR-RESISTANT HIV-1 PROTEASE (P30) IN COMPLEX WITH GRL-142
Descriptor:Protease, (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
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
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
6OGS
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X-RAY CRYSTAL STRUCTURE OF DARUNAVIR-RESISTANT HIV-1 PROTEASE (P30) IN COMPLEX WITH GRL-001
Descriptor:Protease, 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
Method:X-RAY DIFFRACTION (1.27 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
6OGT
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X-RAY CRYSTAL STRUCTURE OF DARUNAVIR-RESISTANT HIV-1 PROTEASE (P51) IN COMPLEX WITH GRL-001
Descriptor:Protease, GLYCEROL, (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, ...
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
Method:X-RAY DIFFRACTION (1.21 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
6OGV
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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
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
6OYD
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X-RAY CRYSTAL STRUCTURE OF WILD TYPE HIV-1 PROTEASE IN COMPLEX WITH GRL-004
Descriptor:Protease, (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
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
Method:X-RAY DIFFRACTION (1.46 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
6OYR
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X-RAY CRYSTAL STRUCTURE OF WILD TYPE HIV-1 PROTEASE IN COMPLEX WITH GRL-002
Descriptor:Protease, (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
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
Method:X-RAY DIFFRACTION (1.54 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
1G4V
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ASPARTATE AMINOTRANSFERASE ACTIVE SITE MUTANT N194A/Y225F
Descriptor:ASPARTATE AMINOTRANSFERASE, PYRIDOXAL-5'-PHOSPHATE
Authors:Mizuguchi, H., Hayashi, H., Okada, K., Miyahara, I., Hirotsu, K., Kagamiyama, H.
Deposit date:2000-10-28
Release date:2000-11-22
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Strain is more important than electrostatic interaction in controlling the pKa of the catalytic group in aspartate aminotransferase.
Biochemistry, 40, 2001
1G7W
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ASPARTATE AMINOTRANSFERASE ACTIVE SITE MUTANT N194A/R386L
Descriptor:ASPARTATE AMINOTRANSFERASE, PYRIDOXAL-5'-PHOSPHATE
Authors:Mizuguchi, H., Hayashi, H., Okada, K., Miyahara, I., Hirotsu, K., Kagamiyama, H.
Deposit date:2000-11-15
Release date:2000-11-29
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Strain is more important than electrostatic interaction in controlling the pKa of the catalytic group in aspartate aminotransferase.
Biochemistry, 40, 2001
1G7X
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ASPARTATE AMINOTRANSFERASE ACTIVE SITE MUTANT N194A/R292L/R386L
Descriptor:ASPARTATE AMINOTRANSFERASE, PYRIDOXAL-5'-PHOSPHATE
Authors:Mizuguchi, H., Hayashi, H., Okada, K., Miyahara, I., Hirotsu, K., Kagamiyama, H.
Deposit date:2000-11-15
Release date:2000-11-29
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Strain is more important than electrostatic interaction in controlling the pKa of the catalytic group in aspartate aminotransferase.
Biochemistry, 40, 2001
1GEW
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CRYSTAL STRUCTURE OF HISTIDINOL-PHOSPHATE AMINOTRANSFERASE COMPLEXED WITH PYRIDOXAL 5'-PHOSPHATE
Descriptor:HISTIDINOL-PHOSPHATE AMINOTRANSFERASE, PYRIDOXAL-5'-PHOSPHATE
Authors:Haruyama, K., Nakai, T., Miyahara, I., Hirotsu, K., Mizuguchi, H., Hayashi, H., Kagamiyama, H.
Deposit date:2000-11-30
Release date:2001-04-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of Escherichia coli histidinol-phosphate aminotransferase and its complexes with histidinol-phosphate and N-(5'-phosphopyridoxyl)-L-glutamate: double substrate recognition of the enzyme.
Biochemistry, 40, 2001
1GEX
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CRYSTAL STRUCTURE OF HISTIDINOL-PHOSPHATE AMINOTRANSFERASE COMPLEXED WITH HISTIDINOL-PHOSPHATE
Descriptor:HISTIDINOL-PHOSPHATE AMINOTRANSFERASE, PYRIDOXAL-5'-PHOSPHATE, PHOSPHORIC ACID MONO-[2-AMINO-3-(3H-IMIDAZOL-4-YL)-PROPYL]ESTER
Authors:Haruyama, K., Nakai, T., Miyahara, I., Hirotsu, K., Mizuguchi, H., Hayashi, H., Kagamiyama, H.
Deposit date:2000-11-30
Release date:2001-04-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structures of Escherichia coli histidinol-phosphate aminotransferase and its complexes with histidinol-phosphate and N-(5'-phosphopyridoxyl)-L-glutamate: double substrate recognition of the enzyme.
Biochemistry, 40, 2001
1GEY
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CRYSTAL STRUCTURE OF HISTIDINOL-PHOSPHATE AMINOTRANSFERASE COMPLEXED WITH N-(5'-PHOSPHOPYRIDOXYL)-L-GLUTAMATE
Descriptor:HISTIDINOL-PHOSPHATE AMINOTRANSFERASE, 4-[(1,3-DICARBOXY-PROPYLAMINO)-METHYL]-3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDINIUM
Authors:Haruyama, K., Nakai, T., Miyahara, I., Hirotsu, K., Mizuguchi, H., Hayashi, H., Kagamiyama, H.
Deposit date:2000-11-30
Release date:2001-04-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of Escherichia coli histidinol-phosphate aminotransferase and its complexes with histidinol-phosphate and N-(5'-phosphopyridoxyl)-L-glutamate: double substrate recognition of the enzyme.
Biochemistry, 40, 2001
5COK
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X-RAY CRYSTAL STRUCTURE OF WILD TYPE HIV-1 PROTEASE IN COMPLEX WITH GRL-0476
Descriptor:HIV-1 protease, (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
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:2019-12-25
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
5CON
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X-RAY CRYSTAL STRUCTURE OF WILD TYPE HIV-1 PROTEASE IN COMPLEX WITH GRL-015
Descriptor:HIV-1 protease, (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
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:2019-12-25
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
5COO
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X-RAY CRYSTAL STRUCTURE OF WILD TYPE HIV-1 PROTEASE IN COMPLEX WITH GRL-085
Descriptor:HIV-1 protease, (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
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:2019-12-25
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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X-RAY CRYSTAL STRUCTURE OF WILD TYPE HIV-1 PROTEASE IN COMPLEX WITH GRL-097
Descriptor:HIV-1 protease, (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
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:2019-12-25
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
6MCR
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X-RAY CRYSTAL STRUCTURE OF WILD TYPE HIV-1 PROTEASE IN COMPLEX WITH GRL-001
Descriptor:Protease, 1,2-ETHANEDIOL, (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
Authors:Bulut, H., Hayashi, H., Hattori, S.I., Aoki, M., Das, D., Ghosh, A.K., Mitsuya, H.
Deposit date:2018-09-02
Release date:2019-04-24
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Halogen Bond Interactions of Novel HIV-1 Protease Inhibitors (PI) (GRL-001-15 and GRL-003-15) with the Flap of Protease Are Critical for Their Potent Activity against Wild-Type HIV-1 and Multi-PI-Resistant Variants.
Antimicrob.Agents Chemother., 63, 2019
167327
數據於2020-08-05公開中