1IX6 | | 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
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1IX7 | | 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
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1IX8 | | 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
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5TYR | | 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
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5TYS | | 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
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6OGL | | 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
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6OGP | | 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
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6OGQ | | 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
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6OGR | | 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
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6OGS | | 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
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6OGT | | 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
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6OGV | | 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
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6OYD | | 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
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6OYR | | 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
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1G4V | | 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
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1G7W | | 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
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1G7X | | 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
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1GEW | | 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
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1GEX | | 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
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1GEY | | 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
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5COK | | 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
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5CON | | 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
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5COO | | 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
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5COP | | 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
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6MCR | | 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
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