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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
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
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
8YA1
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BU of 8ya1 by Molmil
HEN EGG WHITE LYSOZYME
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 (1.57 Å)
主引用文献Crystallographic data collection using a multilayer monochromator on an undulator beamline at SSRF
To Be Published
8Y9V
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BU of 8y9v by Molmil
ZIKV NS2B/NS3 protease
分子名称: DAR-LYS-ORN-ARG, Serine protease NS3, Serine protease subunit NS2B
著者Zhang, C.Y, Xu, Q, Wang, W.W, 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
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
8YA5
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BU of 8ya5 by Molmil
Mpro from SARS-CoV-2
分子名称: 3C-like proteinase
著者Zhang, C.Y, Xu, Q, Wang, W.W, Zhou, H, Wang, Q.S.
登録日2024-02-07
公開日2024-02-28
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Crystallographic data collection using a multilayer monochromator on an undulator beamline at SSRF
To Be Published
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
4NJL
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BU of 4njl by Molmil
Crystal structure of middle east respiratory syndrome coronavirus S2 protein fusion core
分子名称: S protein, TRIETHYLENE GLYCOL
著者Zhu, Y, Lu, L, Qin, L, Ye, S, Jiang, S, Zhang, R.
登録日2013-11-10
公開日2014-02-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-based discovery of Middle East respiratory syndrome coronavirus fusion inhibitor.
Nat Commun, 5, 2014
6KXS
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BU of 6kxs by Molmil
Cryo-EM structure of human IgM-Fc in complex with the J chain and the ectodomain of pIgR
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, Immunoglobulin J chain, ...
著者Li, Y, Wang, G, Xiao, J.
登録日2019-09-12
公開日2020-02-05
最終更新日2021-12-15
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural insights into immunoglobulin M.
Science, 367, 2020
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
8HVR
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BU of 8hvr by Molmil
Cryo-EM structure of AfsR-dependent transcription activation complex with afsS promoter
分子名称: DNA (65-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Wang, Y, Zheng, J.
登録日2022-12-27
公開日2023-12-27
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献Structural and functional characterization of AfsR, an SARP family transcriptional activator of antibiotic biosynthesis in Streptomyces.
Plos Biol., 22, 2024
7BRP
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BU of 7brp by Molmil
Crystal structure of the 2019-nCoV main protease complexed with Boceprevir
分子名称: 3C-like proteinase, boceprevir (bound form)
著者Fu, L.F.
登録日2020-03-29
公開日2020-05-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Both Boceprevir and GC376 efficaciously inhibit SARS-CoV-2 by targeting its main protease.
Nat Commun, 11, 2020
7BRO
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BU of 7bro by Molmil
Crystal structure of the 2019-nCoV main protease
分子名称: 3C-like proteinase
著者Fu, L.F.
登録日2020-03-29
公開日2020-05-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Both Boceprevir and GC376 efficaciously inhibit SARS-CoV-2 by targeting its main protease.
Nat Commun, 11, 2020
8XEG
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BU of 8xeg by Molmil
Cryo-EM structure of Adeno-associated Virus 9P31 in 1.76 angstrom.
分子名称: Capsid protein VP1
著者Zhang, R, Liu, Y, Lou, Z.
登録日2023-12-12
公開日2024-01-24
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (1.76 Å)
主引用文献Structural basis of the recognition of adeno-associated virus by the neurological system-related receptor carbonic anhydrase IV.
Plos Pathog., 20, 2024
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
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
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
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
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
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
4NWL
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BU of 4nwl by Molmil
Crystal structure of hepatis c virus protease (ns3) complexed with bms-650032 aka n-(tert-butoxycarbonyl)-3-me thyl-l-valyl-(4r)-4-((7-chloro-4-methoxy-1-isoquinolinyl)o xy)-n-((1r,2s)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylc yclopropyl)-l-prolinamide
分子名称: HCV NS3 1a Protease, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-L-prolinamide, ZINC ION
著者Muckelbauer, J.K, Klei, H.E.
登録日2013-12-06
公開日2014-03-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery and Early Clinical Evaluation of BMS-605339, a Potent and Orally Efficacious Tripeptidic Acylsulfonamide NS3 Protease Inhibitor for the Treatment of Hepatitis C Virus Infection.
J.Med.Chem., 57, 2014
4NWK
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BU of 4nwk by Molmil
Crystal structure of hepatis c virus protease (ns3) complexed with bms-605339 aka n-(tert-butoxycarbonyl)-3-me thyl-l-valyl-(4r)-n-((1r,2s)-1-((cyclopropylsulfonyl)carba moyl)-2-vinylcyclopropyl)-4-((6-methoxy-1-isoquinolinyl)ox y)-l-prolinamide
分子名称: GLYCEROL, HCV NS3 1a Protease, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-4-[(6-methoxyisoquinolin-1-yl)oxy]-L-prolinamide, ...
著者Muckelbauer, J.K, Klei, H.E.
登録日2013-12-06
公開日2014-03-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Discovery and Early Clinical Evaluation of BMS-605339, a Potent and Orally Efficacious Tripeptidic Acylsulfonamide NS3 Protease Inhibitor for the Treatment of Hepatitis C Virus Infection.
J.Med.Chem., 57, 2014
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

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