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PDB: 1251 件
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
分子名称: (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
著者Bulut, H, Hattori, S.I, Aoki-Ogata, H, Hayashi, H, Aoki, M, Ghosh, A.K, Mitsuya, H.
登録日2019-04-03
公開日2020-04-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献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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X-ray crystal structure of darunavir-resistant HIV-1 protease (P51) in complex with GRL-001
分子名称: (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, ...
著者Bulut, H, Hattori, S.I, Aoki-Ogata, H, Hayashi, H, Aoki, M, Ghosh, A.K, Mitsuya, H.
登録日2019-04-03
公開日2020-04-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献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
3VL9
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BU of 3vl9 by Molmil
Crystal structure of xeg-xyloglucan
分子名称: Xyloglucan-specific endo-beta-1,4-glucanase A, beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
著者Yoshizawa, T, Shimizu, T, Hirano, H, Sato, M, Hashimoto, H.
登録日2011-11-30
公開日2012-04-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural basis for inhibition of xyloglucan-specific endo-beta-1,4-glucanase (XEG) by XEG-protein inhibitor
J.Biol.Chem., 287, 2012
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
分子名称: (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, ...
著者Bulut, H, Hattori, S.I, Aoki-Ogata, H, Hayashi, H, Aoki, M, Ghosh, A.K, Mitsuya, H.
登録日2019-04-03
公開日2020-04-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献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
分子名称: (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
著者Bulut, H, Hattori, S.I, Aoki-Ogata, H, Hayashi, H, Aoki, M, Ghosh, A.K, Mitsuya, H.
登録日2019-05-15
公開日2020-05-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献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
分子名称: (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, ...
著者Bulut, H, Hattori, S.I, Aoki-Ogata, H, Hayashi, H, Aoki, M, Ghosh, A.K, Mitsuya, H.
登録日2019-04-03
公開日2020-04-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献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
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
分子名称: (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
著者Bulut, H, Hattori, S.I, Aoki-Ogata, H, Hayashi, H, Aoki, M, Ghosh, A.K, Mitsuya, H.
登録日2019-05-14
公開日2020-05-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献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
3VLA
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BU of 3vla by Molmil
Crystal structure of edgp
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, EDGP
著者Yoshizawa, T, Shimizu, T, Hirano, H, Sato, M, Hashimoto, H.
登録日2011-11-30
公開日2012-04-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Structural basis for inhibition of xyloglucan-specific endo-beta-1,4-glucanase (XEG) by XEG-protein inhibitor
J.Biol.Chem., 287, 2012
3VLB
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BU of 3vlb by Molmil
Crystal structure of xeg-edgp
分子名称: EDGP, Xyloglucan-specific endo-beta-1,4-glucanase A
著者Yoshizawa, T, Shimizu, T, Hirano, H, Sato, M, Hashimoto, H.
登録日2011-11-30
公開日2012-04-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis for inhibition of xyloglucan-specific endo-beta-1,4-glucanase (XEG) by XEG-protein inhibitor
J.Biol.Chem., 287, 2012
6MCS
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BU of 6mcs by Molmil
X-ray crystal structure of wild type HIV-1 protease in complex with GRL-003
分子名称: (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, Protease
著者Bulut, H, Hayashi, H, Hattori, S.I, Aoki, M, Das, D, Ghosh, A.K, Mitsuya, H.
登録日2018-09-02
公開日2019-04-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献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
6MCR
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BU of 6mcr by Molmil
X-ray crystal structure of wild type HIV-1 protease in complex with GRL-001
分子名称: (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, Protease
著者Bulut, H, Hayashi, H, Hattori, S.I, Aoki, M, Das, D, Ghosh, A.K, Mitsuya, H.
登録日2018-09-02
公開日2019-04-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献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
4TKB
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BU of 4tkb by Molmil
The 0.86 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with lauric acid
分子名称: Fatty acid-binding protein, heart, HEXAETHYLENE GLYCOL, ...
著者Sugiyama, S, Matsuoka, S, Mizohata, E, Matsuoka, D, Ishida, H, Hirose, M, Kakinouchi, K, Hara, T, Murakami, S, Inoue, T, Murata, M.
登録日2014-05-26
公開日2015-01-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (0.86 Å)
主引用文献Water-mediated recognition of simple alkyl chains by heart-type Fatty-Acid-binding protein
Angew.Chem.Int.Ed.Engl., 54, 2015
4TJZ
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BU of 4tjz by Molmil
The 0.87 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with capric acid
分子名称: DECANOIC ACID, Fatty acid-binding protein, heart, ...
著者Sugiyama, S, Matsuoka, S, Mizohata, E, Ishida, H, Hirose, M, Kakinouchi, K, Hara, T, Murakami, S, Inoue, T, Murata, M.
登録日2014-05-25
公開日2015-01-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (0.87 Å)
主引用文献Water-mediated recognition of simple alkyl chains by heart-type Fatty-Acid-binding protein
Angew.Chem.Int.Ed.Engl., 54, 2015
4TKH
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BU of 4tkh by Molmil
The 0.93 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with myristic acid
分子名称: Fatty acid-binding protein, heart, HEXAETHYLENE GLYCOL, ...
著者Sugiyama, S, Matsuoka, S, Mizohata, E, Matsuoka, D, Ishida, H, Hirose, M, Kakinouchi, K, Hara, T, Murakami, S, Inoue, T, Murata, M.
登録日2014-05-26
公開日2015-01-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (0.93 Å)
主引用文献Water-mediated recognition of simple alkyl chains by heart-type Fatty-Acid-binding protein
Angew.Chem.Int.Ed.Engl., 54, 2015
4TKJ
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BU of 4tkj by Molmil
The 0.87 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with palmitic acid
分子名称: 2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, Fatty acid-binding protein, heart, ...
著者Sugiyama, S, Matsuoka, S, Mizohata, E, Matsuoka, D, Ishida, H, Hirose, M, Kakinouchi, K, Hara, T, Murakami, S, Inoue, T, Murata, M.
登録日2014-05-26
公開日2015-01-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (0.87 Å)
主引用文献Water-mediated recognition of simple alkyl chains by heart-type Fatty-Acid-binding protein
Angew.Chem.Int.Ed.Engl., 54, 2015
4XZG
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BU of 4xzg by Molmil
Crystal structure of HIRAN domain of human HLTF
分子名称: Helicase-like transcription factor
著者Ikegaya, Y, Hara, K, Hashimoto, H.
登録日2015-02-04
公開日2015-04-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of a Novel DNA-binding Domain of Helicase-like Transcription Factor (HLTF) and Its Functional Implication in DNA Damage Tolerance
J.Biol.Chem., 290, 2015
4DVZ
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BU of 4dvz by Molmil
Crystal structure of the Helicobacter pylori CagA oncoprotein
分子名称: Cytotoxicity-associated immunodominant antigen
著者Hayashi, T, Senda, M, Morohashi, H, Higashi, H, Horio, M, Kashiba, Y, Nagase, L, Sasaya, D, Shimizu, T, Venugopalan, N, Kumeta, H, Noda, N, Inagaki, F, Senda, T, Hatakeyama, M.
登録日2012-02-23
公開日2012-07-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献Tertiary structure-function analysis reveals the pathogenic signaling potentiation mechanism of Helicobacter pylori oncogenic effector CagA
Cell Host Microbe, 12, 2012
1GE9
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BU of 1ge9 by Molmil
SOLUTION STRUCTURE OF THE RIBOSOME RECYCLING FACTOR
分子名称: RIBOSOME RECYCLING FACTOR
著者Yoshida, T, Uchiyama, S, Nakano, H, Kashimori, H, Kijima, H, Ohshima, T, Saihara, Y, Ishino, T, Shimahara, T, Yoshida, T, Yokose, K, Ohkubo, T, Kaji, A, Kobayashi, Y.
登録日2000-10-19
公開日2001-05-16
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Solution structure of the ribosome recycling factor from Aquifex aeolicus.
Biochemistry, 40, 2001
8JD8
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BU of 8jd8 by Molmil
Crystal structure of Citrus limon Cu-Zn superoxide dismutase
分子名称: COPPER (II) ION, Superoxide dismutase [Cu-Zn], ZINC ION
著者Utami, R.A, Yoshida, H, Retnoningrum, D.S, Ismaya, W.T.
登録日2023-05-12
公開日2023-12-27
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Direct relationship between dimeric form and activity in the acidic copper-zinc superoxide dismutase from lemon.
Acta Crystallogr.,Sect.F, 79, 2023
7Y8P
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BU of 7y8p by Molmil
Crystal structure of 4'-selenoRNA duplex
分子名称: COBALT HEXAMMINE(III), RNA (5'-R(*GP*GP*AP*(IKS)P*(ILK)P*(IKS)P*GP*AP*GP*UP*CP*C)-3')
著者Kondo, J, Minakawa, N, Ohta, M, Takahashi, H, Tarashima, N.
登録日2022-06-24
公開日2023-05-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Synthesis and properties of fully-modified 4'-selenoRNA, an endonuclease-resistant RNA analog.
Bioorg.Med.Chem., 76, 2022
6MK9
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BU of 6mk9 by Molmil
X-ray crystal structure of darunavir-resistant-P51 HIV-1 protease in complex with GRL-121
分子名称: (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
著者Yedidi, R.S, Hayashi, H, Das, D, Mitsuya, H.
登録日2018-09-25
公開日2019-10-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献X-ray crystal structure of darunavir-resistant-P51 HIV-1 protease in complex with GRL-121
To Be Published
6MKL
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BU of 6mkl by Molmil
X-ray crystal structure of darunavir-resistant-P51 HIV-1 protease in complex with GRL-142
分子名称: (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
著者Yedidi, R.S, Hayashi, H, Das, D, Mitsuya, H.
登録日2018-09-25
公開日2019-10-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-function analysis of darunavir-resistant-P51 HIV-1 protease in complex with GRL-142.
To Be Published
4ZJF
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BU of 4zjf by Molmil
Crystal structure of GP1 - the receptor binding domain of Lassa virus
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein
著者Cohen-Dvashi, H, Cohen, N, Israeli, H, Diskin, R.
登録日2015-04-29
公開日2015-05-27
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.595 Å)
主引用文献Molecular Mechanism for LAMP1 Recognition by Lassa Virus.
J.Virol., 89, 2015
5H6N
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BU of 5h6n by Molmil
DNA targeting ADP-ribosyltransferase Pierisin-1, autoinhibitory form
分子名称: Pierisin-1
著者Oda, T, Hirabayashi, H, Shikauchi, G, Takamura, R, Hiraga, K, Minami, H, Hashimoto, H, Yamamoto, M, Wakabayashi, K, Sugimura, T, Shimizu, T, Sato, M.
登録日2016-11-14
公開日2017-08-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis of autoinhibition and activation of the DNA-targeting ADP-ribosyltransferase pierisin-1
J. Biol. Chem., 292, 2017
5H6J
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DNA targeting ADP-ribosyltransferase Pierisin-1 in complex with beta-NAD+
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Pierisin-1
著者Oda, T, Hirabayashi, H, Shikauchi, G, Takamura, R, Hiraga, K, Minami, H, Hashimoto, H, Yamamoto, M, Wakabayashi, K, Sugimura, T, Shimizu, T, Sato, M.
登録日2016-11-14
公開日2017-08-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis of autoinhibition and activation of the DNA-targeting ADP-ribosyltransferase pierisin-1
J. Biol. Chem., 292, 2017

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