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7UE1
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BU of 7ue1 by Molmil
HIV-1 Integrase Catalytic Core Domain Mutant (KGD) in Complex with Inhibitor 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, Integrase, SULFATE ION
Authors:Aoki, M, Aoki-Ogata, H, Bulut, H, Hayashi, H, Davis, D, Hasegawa, K, Yarchoan, R, Ghosh, A.K, Pau, A.K, Mitsuya, H.
Deposit date:2022-03-21
Release date:2023-03-22
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:GRL-142 binds to and impairs HIV-1 integrase nuclear localization signal and potently suppresses highly INSTI-resistant HIV-1 variants.
Sci Adv, 9, 2023
1J1C
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BU of 1j1c by Molmil
Binary complex structure of human tau protein kinase I with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Glycogen synthase kinase-3 beta, MAGNESIUM ION
Authors:Aoki, M, Yokota, T, Sugiura, I, Sasaki, C, Hasegawa, T, Okumura, C, Kohno, T, Sugio, S, Matsuzaki, T.
Deposit date:2002-12-03
Release date:2003-12-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural insight into nucleotide recognition in tau-protein kinase I/glycogen synthase kinase 3 beta.
Acta Crystallogr.,Sect.D, 60, 2004
1J1B
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BU of 1j1b by Molmil
Binary complex structure of human tau protein kinase I with AMPPNP
Descriptor: Glycogen synthase kinase-3 beta, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Aoki, M, Yokota, T, Sugiura, I, Sasaki, C, Hasegawa, T, Okumura, C, Kohno, T, Sugio, S, Matsuzaki, T.
Deposit date:2002-12-03
Release date:2003-12-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insight into nucleotide recognition in tau-protein kinase I/glycogen synthase kinase 3 beta.
Acta Crystallogr.,Sect.D, 60, 2004
5TYR
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BU of 5tyr by Molmil
X-ray crystal structure of wild type HIV-1 protease in complex with GRL-121
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]-3-hydroxy-1-phenylbutan-2-yl}carbamate, Protease
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:2023-10-04
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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BU of 5tys by Molmil
X-ray crystal structure of wild type HIV-1 protease 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, Protease
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:2023-10-04
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
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
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
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
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
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
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
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
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
6OGP
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BU of 6ogp by Molmil
X-ray crystal structure of wild type HIV-1 protease in complex with GRL-063
Descriptor: (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, 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 (1.53 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
6OGT
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BU of 6ogt by Molmil
X-ray crystal structure of darunavir-resistant HIV-1 protease (P51) 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, 1,2-ETHANEDIOL, GLYCEROL, ...
Authors:Bulut, H, Hattori, S.I, Aoki-Ogata, H, Hayashi, H, Aoki, M, Ghosh, A.K, Mitsuya, H.
Deposit date:2019-04-03
Release date:2020-04-08
Last modified:2023-10-11
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
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
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
1UFW
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BU of 1ufw by Molmil
Solution structure of RNP domain in Synaptojanin 2
Descriptor: Synaptojanin 2
Authors:He, F, Muto, Y, Ushikoshi, R, Shirouzu, M, Terada, T, Kigawa, T, Inoue, M, Yabuki, T, Aoki, M, Seki, E, Matsuda, T, Hirota, H, Yoshida, M, Kobayashi, N, Tanaka, A, Osanai, T, Matsuo, Y, Ohara, O, Nagase, T, Kikuno, R, Nakayama, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-06-10
Release date:2003-12-10
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure of RNP domain in Synaptojanin 2
To be Published
1UFN
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BU of 1ufn by Molmil
Solution structure of the SAND domain of the putative nuclear protein homolog (5830484A20Rik)
Descriptor: putative nuclear protein homolog 5830484A20Rik
Authors:Tochio, N, Kobayashi, N, Koshiba, S, Kigawa, T, Inoue, M, Shirouzu, M, Terada, T, Yabuki, T, Aoki, M, Seki, E, Matsuda, T, Hirota, H, Yoshida, M, Tanaka, A, Osanai, T, Matsuo, Y, Arakawa, T, Carninci, P, Kawai, J, Hayashizaki, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-06-02
Release date:2004-06-22
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure of the SAND domain of the putative nuclear protein homolog (5830484A20Rik)
To be Published
1UGK
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BU of 1ugk by Molmil
Solution structure of the first C2 domain of synaptotagmin IV from human fetal brain (KIAA1342)
Descriptor: Synaptotagmin IV
Authors:Nagashima, T, Hayashi, F, Shirouzu, M, Terada, T, Kigawa, T, Inoue, M, Yabuki, T, Aoki, M, Seki, E, Matsuda, T, Hirota, H, Yoshida, M, Tanaka, A, Osanai, T, Matsuo, Y, Ohara, O, Nagase, T, Kikuno, R, Nakayama, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-06-16
Release date:2003-12-16
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure of the first C2 domain of synaptotagmin IV from human fetal brain (KIAA1342)
To be Published
1UGV
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BU of 1ugv by Molmil
Solution structure of the SH3 domain of human olygophrein-1 like protein (KIAA0621)
Descriptor: Olygophrenin-1 like protein
Authors:Inoue, K, Hayashi, F, Shirouzu, M, Terada, T, Kigawa, T, Inoue, M, Yabuki, T, Aoki, M, Seki, E, Matsuda, T, Hirota, H, Yoshida, M, Tanaka, A, Osanai, T, Matsuo, Y, Ohara, O, Nagase, T, Kikuno, R, Nakayama, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-06-20
Release date:2003-12-20
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure of the SH3 domain of human olygophrein-1 like protein (KIAA0621)
To be Published
1UFZ
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BU of 1ufz by Molmil
Solution structure of HBS1-like domain in hypothetical protein BAB28515
Descriptor: Hypothetical protein BAB28515
Authors:He, F, Muto, Y, Hayami, N, Shirouzu, M, Terada, T, Kigawa, T, Inoue, M, Yabuki, T, Aoki, M, Seki, E, Matsuda, T, Hirota, H, Yoshida, M, Kobayashi, N, Tanaka, A, Osanai, T, Matsuo, Y, Hayashizaki, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-06-11
Release date:2004-08-03
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure of HBS1-like domain in hypothetical protein BAB28515
To be Published
1UG7
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BU of 1ug7 by Molmil
Solution structure of four helical up-and-down bundle domain of the hypothetical protein 2610208M17Rik similar to the protein FLJ12806
Descriptor: 2610208M17Rik protein
Authors:Li, H, Kigawa, T, Tomizawa, T, Koshiba, S, Inoue, M, Shirouzu, M, Terada, M, Yabuki, T, Aoki, M, Seki, E, Matsuda, T, Hirota, H, Yoshida, M, Tanaka, A, Osanai, T, Arakawa, T, Carninci, P, Kawai, J, Hayashizaki, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-06-13
Release date:2004-08-17
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure of four helical up-and-down bundle domain of the hypothetical protein 2610208M17Rik similar to the protein FLJ12806
To be Published
1UFX
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BU of 1ufx by Molmil
Solution structure of the third PDZ domain of human KIAA1526 protein
Descriptor: KIAA1526 protein
Authors:Tochio, N, Kobayashi, N, Koshiba, S, Kigawa, T, Inoue, M, Shirouzu, M, Terada, T, Yabuki, T, Aoki, M, Seki, E, Matsuda, T, Hirota, H, Yoshida, M, Tanaka, A, Osanai, T, Matsuo, Y, Ohara, O, Nagase, T, Kikuno, R, Nakayama, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-06-10
Release date:2003-12-10
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure of the third PDZ domain of human KIAA1526 protein
To be Published

238582

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