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8WUC
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BU of 8wuc by Molmil
Cryo-EM structure of H. thermoluteolus GroEL-GroES2 football complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, Chaperonin GroEL, Co-chaperonin GroES, ...
著者Liao, Z, Gopalasingam, C.C, Kameya, M, Gerle, C, Shigematsu, H, Ishii, M, Arakawa, T, Fushinobu, S.
登録日2023-10-20
公開日2024-03-27
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Structural insights into thermophilic chaperonin complexes.
Structure, 32, 2024
9ARS
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BU of 9ars by Molmil
Crystal structure of SARS-CoV-2 main protease E166V mutant in complex with an inhibitor TKB-245
分子名称: (1R,2S,5S)-N-{(1S,2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
著者Bulut, H, Hattori, S, Hayashi, H, Hasegawa, K, Li, M, Wlodawer, A, Misumi, S, Tamamura, H, Mitsuya, H.
登録日2024-02-23
公開日2024-04-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and virologic mechanism of emergence of main protease inhibitor-resistance in SARS-CoV-2 as selected with main protease inhibitors
To Be Published
9ART
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BU of 9art by Molmil
Crystal structure of SARS-CoV-2 main protease A191T mutant in complex with an inhibitor 5h
分子名称: 3C-like proteinase nsp5, N-[(2S)-1-({(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
著者Bulut, H, Hattori, S, Hayashi, H, Hasegawa, K, Li, M, Wlodawer, A, Tamamura, H, Mitsuya, H.
登録日2024-02-23
公開日2024-04-24
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Structural and virologic mechanism of emergence of main protease inhibitor-resistance in SARS-CoV-2 as selected with main protease inhibitors
To Be Published
9AVQ
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BU of 9avq by Molmil
Crystal structure of SARS-CoV-2 main protease A191T mutant in complex with an inhibitor Nirmatrelvir
分子名称: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER
著者Bulut, H, Hattori, S, Hayashi, H, Hasegawa, K, Li, M, Wlodawer, A, Tamamura, H, Mitsuya, H.
登録日2024-03-04
公開日2024-04-24
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Structural and virologic mechanism of emergence of main protease inhibitor-resistance in SARS-CoV-2 as selected with main protease inhibitors
To Be Published
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
分子名称: (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
著者Yedidi, R.S, Hayashi, H, Ghosh, A.K, Mitsuya, H.
登録日2018-04-10
公開日2019-05-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Novel Central Nervous System (CNS)-Targeting Protease Inhibitors for Drug-Resistant HIV Infection and HIV-Associated CNS Complications.
Antimicrob.Agents Chemother., 63, 2019
3J3Z
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BU of 3j3z by Molmil
Structure of MA28-7 neutralizing antibody Fab fragment from electron cryo-microscopy of enterovirus 71 complexed with a Fab fragment
分子名称: MA28-7 neutralizing antibody heavy chain, MA28-7 neutralizing antibody light chain
著者Lee, H, Cifuente, J.O, Ashley, R.E, Conway, J.F, Makhov, A.M, Tano, Y, Shimizu, H, Nishimura, Y, Hafenstein, S.
登録日2013-05-21
公開日2013-08-28
最終更新日2018-07-18
実験手法ELECTRON MICROSCOPY (23.4 Å)
主引用文献A strain-specific epitope of enterovirus 71 identified by cryo-electron microscopy of the complex with fab from neutralizing antibody.
J.Virol., 87, 2013
8JYH
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BU of 8jyh by Molmil
Crystal structure of engineered HIV-1 Reverse Transcriptase RNase H domain complexed with laccaic acid C
分子名称: 7-[5-[(2~{S})-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]-2-oxidanyl-phenyl]-3,5,6,8-tetrakis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-1,2-dicarboxylic acid, MANGANESE (II) ION, Pol protein,Pol protein,HIV-1 Reverse Transcriptase RNase H active domain, ...
著者Ito, Y, Lu, H, Kitajima, M, Ishikawa, H, Nakata, Y, Iwatani, Y, Hoshino, T.
登録日2023-07-03
公開日2023-08-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Sticklac-Derived Natural Compounds Inhibiting RNase H Activity of HIV-1 Reverse Transcriptase.
J.Nat.Prod., 86, 2023
8JYJ
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BU of 8jyj by Molmil
Crystal structure of engineered HIV-1 Reverse Transcriptase RNase H domain complexed with laccaic acid A
分子名称: 7-[5-(2-acetamidoethyl)-2-oxidanyl-phenyl]-3,5,6,8-tetrakis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-1,2-dicarboxylic acid, MANGANESE (II) ION, Pol protein,Pol protein,HIV-1 Reverse Transcriptase RNase H active domain, ...
著者Ito, Y, Lu, H, Kitajima, M, Ishikawa, H, Nakata, Y, Iwatani, Y, Hoshino, T.
登録日2023-07-03
公開日2023-08-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Sticklac-Derived Natural Compounds Inhibiting RNase H Activity of HIV-1 Reverse Transcriptase.
J.Nat.Prod., 86, 2023
8JYI
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BU of 8jyi by Molmil
Crystal structure of engineered HIV-1 Reverse Transcriptase RNase H domain complexed with laccaic acid E
分子名称: 7-[5-(2-azanylethyl)-2-oxidanyl-phenyl]-3,5,6,8-tetrakis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-1,2-dicarboxylic acid, MANGANESE (II) ION, Pol protein,Pol protein,Ribonuclease H, ...
著者Ito, Y, Lu, H, Kitajima, M, Ishikawa, H, Nakata, Y, Iwatani, Y, Hoshino, T.
登録日2023-07-03
公開日2023-08-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Sticklac-Derived Natural Compounds Inhibiting RNase H Activity of HIV-1 Reverse Transcriptase.
J.Nat.Prod., 86, 2023
6UWC
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BU of 6uwc by Molmil
X-ray crystal structure of wild type HIV-1 protease in complex with GRL-08613
分子名称: (3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl {(2S,3R)-1-(4-fluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate, Protease
著者Yedidi, R.S, Hayashi, H, Ghosh, A.K, Mitsuya, H.
登録日2019-11-05
公開日2020-11-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Fluorine Modifications Contribute to Potent Antiviral Activity against Highly Drug-Resistant HIV-1 and Favorable Blood-Brain Barrier Penetration Property of Novel Central Nervous System-Targeting HIV-1 Protease Inhibitors In Vitro.
Antimicrob.Agents Chemother., 66, 2022
6S8J
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BU of 6s8j by Molmil
Structure of ZEBOV GP in complex with 5T0180 antibody
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope Glycoprotein 1, Envelope glycoprotein, ...
著者Diskin, R, Cohen-Dvashi, H.
登録日2019-07-10
公開日2020-02-12
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (2.91 Å)
主引用文献Structural Basis for a Convergent Immune Response against Ebola Virus.
Cell Host Microbe, 27, 2020
6S8I
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BU of 6s8i by Molmil
Structure of ZEBOV GP in complex with 3T0265 antibody
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein, Enveloped Glycoprotein 1, ...
著者Diskin, R, Cohen-Dvashi, H.
登録日2019-07-10
公開日2020-02-12
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (2.99 Å)
主引用文献Structural Basis for a Convergent Immune Response against Ebola Virus.
Cell Host Microbe, 27, 2020
6UWB
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BU of 6uwb by Molmil
X-ray crystal structure of wild type HIV-1 protease in complex with GRL-08513
分子名称: (3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl {(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate, Protease
著者Yedidi, R.S, Hayashi, H, Ghosh, A.K, Mitsuya, H.
登録日2019-11-05
公開日2020-11-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Fluorine Modifications Contribute to Potent Antiviral Activity against Highly Drug-Resistant HIV-1 and Favorable Blood-Brain Barrier Penetration Property of Novel Central Nervous System-Targeting HIV-1 Protease Inhibitors In Vitro.
Antimicrob.Agents Chemother., 66, 2022
6S9J
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BU of 6s9j by Molmil
Crystal structure of TfR1 mimicry in complex with GP1 from MACV
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, Pre-glycoprotein polyprotein GP complex, ...
著者Diskin, R, Cohen-Dvashi, H.
登録日2019-07-15
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.698 Å)
主引用文献Rational design of universal immunotherapy for TfR1-tropic arenaviruses.
Nat Commun, 11, 2020
6S8D
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BU of 6s8d by Molmil
Structure of ZEBOV GP in complex with 1T0227 antibody
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein, Heavy chain, ...
著者Diskin, R, Cohen-Dvashi, H.
登録日2019-07-09
公開日2020-02-12
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.49 Å)
主引用文献Structural Basis for a Convergent Immune Response against Ebola Virus.
Cell Host Microbe, 27, 2020
6IGX
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BU of 6igx by Molmil
Crystal structure of human CAP-G in complex with CAP-H
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Condensin complex subunit 2, Condensin complex subunit 3
著者Hara, K, Migita, T, Shimizu, K, Hashimoto, H.
登録日2018-09-26
公開日2019-03-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.995 Å)
主引用文献Structural basis of HEAT-kleisin interactions in the human condensin I subcomplex.
Embo Rep., 20, 2019
6IRZ
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BU of 6irz by Molmil
Crystal structure of the zebrafish cap-specific adenosine methyltransferase bound to SAH and m7G-capped RNA
分子名称: 1,2-ETHANEDIOL, 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, PDX1 C-terminal-inhibiting factor 1, ...
著者Hirano, S, Nishimasu, H, Ishitani, R, Nureki, O.
登録日2018-11-15
公開日2018-12-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Cap-specific terminal N 6 -methylation of RNA by an RNA polymerase II-associated methyltransferase.
Science, 363, 2019
6IRV
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BU of 6irv by Molmil
Crystal structure of the human cap-specific adenosine methyltransferase
分子名称: Phosphorylated CTD-interacting factor 1
著者Hirano, S, Nishimasu, H, Ishitani, R, Nureki, O.
登録日2018-11-14
公開日2018-12-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Cap-specific terminal N 6 -methylation of RNA by an RNA polymerase II-associated methyltransferase.
Science, 363, 2019
8WUW
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BU of 8wuw by Molmil
Cryo-EM structure of H. thermophilus GroEL-GroES2 asymmetric football complex
分子名称: Chaperonin GroEL, Co-chaperonin GroES, MAGNESIUM ION, ...
著者Liao, Z, Gopalasingam, C.C, Kameya, M, Gerle, C, Shigematsu, H, Ishii, M, Arakawa, T, Fushinobu, S.
登録日2023-10-21
公開日2024-03-27
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Structural insights into thermophilic chaperonin complexes.
Structure, 32, 2024
8WUX
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BU of 8wux by Molmil
Cryo-EM structure of H. thermophilus GroEL-GroES bullet complex
分子名称: Chaperonin GroEL, Co-chaperonin GroES, MAGNESIUM ION, ...
著者Liao, Z, Gopalasingam, C.C, Kameya, M, Gerle, C, Shigematsu, H, Ishii, M, Arakawa, T, Fushinobu, S.
登録日2023-10-21
公開日2024-03-27
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Structural insights into thermophilic chaperonin complexes.
Structure, 32, 2024
8Y2S
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BU of 8y2s by Molmil
P-hydroxybenzoate hydroxylase complexed with 4-hydroxy-3-methylbenzoic acid
分子名称: 3-methyl-4-oxidanyl-benzoic acid, 4-hydroxybenzoate 3-monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE
著者Hara, K, Hashimoto, H, Matsushita, T, Kishimoto, S, Watanabe, K.
登録日2024-01-27
公開日2024-05-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Functional Enhancement of Flavin-Containing Monooxygenase through Machine Learning Methodology
Acs Catalysis, 14, 2024
8WU4
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BU of 8wu4 by Molmil
Cryo-EM structure of native H. thermoluteolus TH-1 GroEL
分子名称: Chaperonin GroEL
著者Liao, Z, Gopalasingam, C.C, Kameya, M, Gerle, C, Shigematsu, H, Ishii, M, Arakawa, T, Fushinobu, S.
登録日2023-10-20
公開日2024-03-27
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural insights into thermophilic chaperonin complexes.
Structure, 32, 2024
8RXR
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BU of 8rxr by Molmil
Crystal structure of VPS34 in complex with inhibitor SB02024
分子名称: 4-[(3R)-3-methylmorpholin-4-yl]-2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-3H-pyridin-6-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Tresaugues, L, Yu, Y, Bogdan, M, Parpal, S, Silvander, C, Lindstrom, J, Simeon, J, Timson, M.J, Al-Hashimi, H, Smith, B.D, Flynn, D.L, Viklund, J, Martinsson, J, De Milito, A, Andersson, M.
登録日2024-02-07
公開日2024-03-20
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Combining VPS34 inhibitors with STING agonists enhances type I interferon signaling and anti-tumor efficacy.
Mol Oncol, 2024
8X5V
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BU of 8x5v by Molmil
BlCas9-sgRNA-target DNA complex
分子名称: 1,2-ETHANEDIOL, BlCas9, CHLORIDE ION, ...
著者Nakane, T, Nakagawa, R, Yamashita, K, Nishimasu, H, Nureki, O.
登録日2023-11-19
公開日2024-07-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure and engineering of Brevibacillus laterosporus Cas9.
Commun Biol, 7, 2024
6GH8
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BU of 6gh8 by Molmil
Crystal structure of GP1 domain of Lujo virus in complex with the first CUB domain of neuropilin-2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Glycoprotein, ...
著者Cohen-Dvashi, H, Kilimnik, I, Diskin, R.
登録日2018-05-06
公開日2018-07-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Structural basis for receptor recognition by Lujo virus.
Nat Microbiol, 3, 2018

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