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5VAG
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BU of 5vag by Molmil
Crystal structure of H7-specific antibody m826 in complex with the HA1 domain of hemagglutinin from H7N9 influenza virus
分子名称: 1,2-ETHANEDIOL, Heavy chain of antibody m826, Hemagglutinin, ...
著者Song, H, Ying, T, Ji, X.
登録日2017-03-26
公開日2017-12-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A Potent Germline-like Human Monoclonal Antibody Targets a pH-Sensitive Epitope on H7N9 Influenza Hemagglutinin.
Cell Host Microbe, 22, 2017
6LT8
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BU of 6lt8 by Molmil
HSP90 in complex with KW-2478
分子名称: 2-[2-ethyl-6-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]carbonyl-3,5-bis(oxidanyl)phenyl]-~{N},~{N}-bis(2-methoxyethyl)ethanamide, Heat shock protein HSP 90-alpha
著者Cao, H.L.
登録日2020-01-21
公開日2021-01-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.593 Å)
主引用文献Anti-NSCLC activity in vitro of Hsp90 N inhibitor KW-2478 and complex crystal structure determination of Hsp90 N -KW-2478.
J.Struct.Biol., 213, 2021
6LR9
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BU of 6lr9 by Molmil
HSP90 in complex with Debio0932
分子名称: 2-[[6-(dimethylamino)-1,3-benzodioxol-5-yl]sulfanyl]-1-[2-(2,2-dimethylpropylamino)ethyl]imidazo[4,5-c]pyridin-4-amine, GLYCEROL, Heat shock protein HSP 90-alpha
著者Cao, H.L.
登録日2020-01-15
公開日2021-01-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.196 Å)
主引用文献Complex crystal structure determination and anti-non-small-cell lung cancer activity of the Hsp90 N inhibitor Debio0932.
Acta Crystallogr D Struct Biol, 77, 2021
7YOQ
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BU of 7yoq by Molmil
Recj2 and CMP complex from Methanocaldococcus jannaschii
分子名称: [5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)furan-2-yl]methyl dihydrogen phosphate, nuclease RecJ2
著者Wang, W.W, Liu, X.P.
登録日2022-08-02
公開日2023-08-02
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.265 Å)
主引用文献The structure of nuclease RecJ2 from Methanocaldococcus jannaschii
To Be Published
7YOS
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BU of 7yos by Molmil
Recj2 and Mn complex from Methanocaldococcus jannaschii
分子名称: MANGANESE (II) ION, nuclease RecJ2
著者Wang, W.W, Liu, X.P.
登録日2022-08-02
公開日2023-08-02
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献The structure of nuclease RecJ2 from Methanocaldococcus jannaschii
To Be Published
7YOR
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BU of 7yor by Molmil
Recj2 and dCMP complex from Methanocaldococcus jannaschii
分子名称: 1,2-ETHANEDIOL, [5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-furan-2-yl]methyl dihydrogen phosphate, archaeal nuclease RecJ2
著者Wang, W.W, Liu, X.P.
登録日2022-08-02
公開日2023-08-02
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献The structure of nuclease RecJ2 from Methanocaldococcus jannaschii
To Be Published
7D1M
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BU of 7d1m by Molmil
CRYSTAL STRUCTURE OF THE SARS-CoV-2 MAIN PROTEASE COMPLEXED WITH GC376
分子名称: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, DIMETHYL SULFOXIDE
著者Fu, L.F, Gilski, M, Shabalin, I, Gao, G.F, Qi, J.X.
登録日2020-09-14
公開日2020-10-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Both Boceprevir and GC376 efficaciously inhibit SARS-CoV-2 by targeting its main protease.
Nat Commun, 11, 2020
7DEO
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BU of 7deo by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Spike protein S1, ...
著者Fu, D, Zhang, G, Li, X, Rao, Z, Guo, Y.
登録日2020-11-04
公開日2021-03-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes.
Plos Biol., 19, 2021
7DET
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BU of 7det by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody scFv
著者Wang, Y, Zhang, G, Li, X, Rao, Z, Guo, Y.
登録日2020-11-05
公開日2021-03-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes.
Plos Biol., 19, 2021
7DEU
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BU of 7deu by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody scFv
著者Zhang, Z, Zhang, G, Li, X, Rao, Z, Guo, Y.
登録日2020-11-05
公開日2021-03-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes.
Plos Biol., 19, 2021
8IAB
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BU of 8iab by Molmil
The Arabidopsis CLCa transporter bound with chloride, ATP and PIP2
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, Chloride channel protein CLC-a, ...
著者Yang, Z, Zhang, X, Zhang, P.
登録日2023-02-08
公開日2023-08-02
最終更新日2023-08-30
実験手法ELECTRON MICROSCOPY (2.96 Å)
主引用文献Molecular mechanism underlying regulation of Arabidopsis CLCa transporter by nucleotides and phospholipids.
Nat Commun, 14, 2023
8IAD
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BU of 8iad by Molmil
The Arabidopsis CLCa transporter bound with nitrate, ATP and PIP2
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Chloride channel protein CLC-a, MAGNESIUM ION, ...
著者Yang, Z, Zhang, X, Zhang, P.
登録日2023-02-08
公開日2023-08-02
最終更新日2023-08-30
実験手法ELECTRON MICROSCOPY (3.16 Å)
主引用文献Molecular mechanism underlying regulation of Arabidopsis CLCa transporter by nucleotides and phospholipids.
Nat Commun, 14, 2023
8HXB
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BU of 8hxb by Molmil
Cryo-EM structure of MPXV M2 hexamer in complex with human B7.2
分子名称: NFkB inhibitor, T-lymphocyte activation antigen CD86
著者Wang, Y, Yang, S, Zhao, H, Deng, Z.
登録日2023-01-04
公開日2023-08-30
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structural and functional insights into the modulation of T cell costimulation by monkeypox virus protein M2.
Nat Commun, 14, 2023
8HXC
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BU of 8hxc by Molmil
Cryo-EM structure of MPXV M2 heptamer in complex with human B7.2
分子名称: NFkB inhibitor, T-lymphocyte activation antigen CD86
著者Wang, Y, Yang, S, Zhao, H, Deng, Z.
登録日2023-01-04
公開日2023-08-30
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Structural and functional insights into the modulation of T cell costimulation by monkeypox virus protein M2.
Nat Commun, 14, 2023
8HXA
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BU of 8hxa by Molmil
Cryo-EM structure of MPXV M2 in complex with human B7.1
分子名称: NFkB inhibitor, T-lymphocyte activation antigen CD80
著者Wang, Y, Yang, S, Zhao, H, Deng, Z.
登録日2023-01-04
公開日2023-08-30
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献Structural and functional insights into the modulation of T cell costimulation by monkeypox virus protein M2.
Nat Commun, 14, 2023
6LZ7
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BU of 6lz7 by Molmil
Tetrameric structure of ZmCRY1a PHR domain
分子名称: Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE
著者Shao, K, Zhang, X, Zhang, P.
登録日2020-02-18
公開日2020-05-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.59936166 Å)
主引用文献The oligomeric structures of plant cryptochromes.
Nat.Struct.Mol.Biol., 27, 2020
6LTK
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BU of 6ltk by Molmil
HSP90 in complex with SNX-2112
分子名称: 4-[6,6-dimethyl-4-oxidanylidene-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-2-[(4-oxidanylcyclohexyl)amino]benzamide, Heat shock protein HSP 90-alpha
著者Cao, H.L.
登録日2020-01-22
公開日2021-01-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.141 Å)
主引用文献Complex Crystal Structure Determination and in vitro Anti-non-small Cell Lung Cancer Activity of Hsp90 N Inhibitor SNX-2112.
Front Cell Dev Biol, 9, 2021
6LZ3
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BU of 6lz3 by Molmil
Structure of cryptochrome in active conformation
分子名称: Cryptochrome2, FLAVIN-ADENINE DINUCLEOTIDE
著者Shao, K, Zhang, X, Zhang, P.
登録日2020-02-18
公開日2020-04-29
最終更新日2020-11-11
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献The oligomeric structures of plant cryptochromes.
Nat.Struct.Mol.Biol., 27, 2020
7DRV
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BU of 7drv by Molmil
Structural basis of SARS-CoV-2-closely-related bat coronavirus RaTG13 to hACE2
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, Angiotensin-converting enzyme 2, ...
著者Liu, K.F, Pan, X.Q, Li, L.J, Feng, Y, Meng, Y.M, Zhang, Y.F, Wu, L.L, Chen, Q, Zheng, A.Q, Song, C.L, Jia, Y.F, Niu, S, Qiao, C.P, Zhao, X, Ma, D.L, Ma, X.P, Tan, S.G, Qi, J.X, Gao, G.F, Wang, Q.H.
登録日2020-12-29
公開日2021-08-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.09 Å)
主引用文献Binding and molecular basis of the bat coronavirus RaTG13 virus to ACE2 in humans and other species.
Cell, 184, 2021
6BQK
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BU of 6bqk by Molmil
CRYSTAL STRUCTURE OF HEPATIS C VIRUS PROTEASE (NS3) COMPLEXED WITH TRIPEPTIDIC ACYL SULFONAMIDE INHIBITOR (COMPOUND 18)
分子名称: N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-[(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-(difluoromethyl)cyclopropyl]-L-prolinamide, NS3 protease, ZINC ION
著者Klei, H.E, Sack, J.S.
登録日2017-11-28
公開日2018-03-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Potent Inhibitors of Hepatitis C Virus NS3 Protease: Employment of a Difluoromethyl Group as a Hydrogen-Bond Donor.
ACS Med Chem Lett, 9, 2018
6BQJ
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BU of 6bqj by Molmil
CRYSTAL STRUCTURE OF HEPATIS C VIRUS PROTEASE (NS3) COMPLEXED WITH TRIPEPTIDIC ACYL SULFONAMIDE INHIBITOR (COMPOUND 16)
分子名称: ACETATE ION, CHLORIDE ION, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(2S)-1-[(cyclopropylsulfonyl)amino]-4,4-difluoro-1-oxobutan-2-yl}-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide, ...
著者Klei, H.E, Sack, J.S.
登録日2017-11-28
公開日2018-03-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Potent Inhibitors of Hepatitis C Virus NS3 Protease: Employment of a Difluoromethyl Group as a Hydrogen-Bond Donor.
ACS Med Chem Lett, 9, 2018
3BNY
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BU of 3bny by Molmil
Crystal structure of aristolochene synthase complexed with 2-fluorofarnesyl diphosphate (2F-FPP)
分子名称: (2Z,6E)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate, Aristolochene synthase, BETA-MERCAPTOETHANOL, ...
著者Shishova, E.Y, Christianson, D.W.
登録日2007-12-14
公開日2008-03-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献X-ray Crystallographic Studies of Substrate Binding to Aristolochene Synthase Suggest a Metal Ion Binding Sequence for Catalysis
J.Biol.Chem., 283, 2008
3BNX
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BU of 3bnx by Molmil
Crystal structure of Aristolochene synthase complexed with farnesyl diphosphate
分子名称: Aristolochene synthase, BETA-MERCAPTOETHANOL, FARNESYL DIPHOSPHATE, ...
著者Shishova, E.Y, Christianson, D.W.
登録日2007-12-14
公開日2008-03-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献X-ray Crystallographic Studies of Substrate Binding to Aristolochene Synthase Suggest a Metal Ion Binding Sequence for Catalysis
J.Biol.Chem., 283, 2008
8YA4
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BU of 8ya4 by Molmil
Crystal structure of a lysozyme form hen egg white
分子名称: Lysozyme C
著者Zhang, C.Y, Xu, Q, Wang, W.W, Zhou, H.
登録日2024-02-07
公開日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystallographic data collection using a multilayer monochromator on an undulator beamline at SSRF
To Be Published
8Y9W
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BU of 8y9w by Molmil
CRYSTAL STRUCTURE OF A LYSOZYME FROM HEN EGG WHITE
分子名称: Lysozyme C
著者Zhang, C.Y, Xu, Q, Zhou, H, Wang, Q.S.
登録日2024-02-07
公開日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystallographic data collection using a multilayer monochromator on an undulator beamline at SSRF
To Be Published

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件を2024-07-17に公開中

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