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7WUE
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BU of 7wue by Molmil
Crystal structure of SARS-CoV-2 Receptor Binding Domain in complex with the monoclonal antibody m31A7
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Mohapatra, A.
登録日2022-02-08
公開日2022-03-16
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Vaccination with SARS-CoV-2 spike protein lacking glycan shields elicits enhanced protective responses in animal models.
Sci Transl Med, 14, 2022
9KM0
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BU of 9km0 by Molmil
Cryo-EM structure of a tri-heme cytochrome-associated RC-LH1 complex from a marine photoheterotrophic bacterium, purified with EDTA-2Na-containing solutions
分子名称: (21R,24R,27S)-24,27,28-trihydroxy-18,24-dioxo-19,23,25-trioxa-24lambda~5~-phosphaoctacosan-21-yl (9Z)-octadec-9-enoate, (4~{E},16~{E},26~{E})-2-methoxy-2,6,10,14,19,23,27,31-octamethyl-dotriaconta-4,6,8,10,12,14,16,18,20,22,26,30-dodecaen-3-one, Antenna pigment protein alpha chain, ...
著者Chen, J.H.
登録日2024-11-15
公開日2025-04-02
最終更新日2025-06-25
実験手法ELECTRON MICROSCOPY (2.78 Å)
主引用文献Cryo-EM Analysis of a Tri-Heme Cytochrome-Associated RC-LH1 Complex from the Marine Photoheterotrophic Bacterium Dinoroseobacter Shibae.
Adv Sci, 12, 2025
7LSD
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BU of 7lsd by Molmil
Crystal structure of near-infrared fluorescent protein miRFP718nano
分子名称: BILIVERDINE IX ALPHA, miRFP718nano
著者Pletnev, S.
登録日2021-02-18
公開日2022-02-23
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Rational design of a small near-infrared fluorescent protein from CBCR suitable for deep-tissue SWIR imaging.
To Be Published
7DWA
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BU of 7dwa by Molmil
Structure of a novel beta-mannanase BaMan113A with mannotriose, N236Y mutation
分子名称: Endo-beta-1,4-mannanase, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-alpha-D-mannopyranose
著者Liu, W.T, Liu, W.D, Zheng, Y.Y.
登録日2021-01-15
公開日2021-06-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Functional and structural investigation of a novel beta-mannanase BaMan113A from Bacillus sp. N16-5.
Int.J.Biol.Macromol., 182, 2021
7DW8
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BU of 7dw8 by Molmil
Structure of a novel beta-mannanase BaMan113A with mannobiose, N236Y mutation.
分子名称: Endo-beta-1,4-mannanase, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose
著者Liu, W.T, Liu, W.D, Zheng, Y.Y.
登録日2021-01-15
公開日2021-06-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Functional and structural investigation of a novel beta-mannanase BaMan113A from Bacillus sp. N16-5.
Int.J.Biol.Macromol., 182, 2021
7DVJ
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BU of 7dvj by Molmil
Structure of beta-mannanase BaMan113A with mannobiose
分子名称: Endo-beta-1,4-mannanase, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose
著者Liu, W.T, Liu, W.D, Zheng, Y.Y.
登録日2021-01-13
公開日2021-06-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Functional and structural investigation of a novel beta-mannanase BaMan113A from Bacillus sp. N16-5.
Int.J.Biol.Macromol., 182, 2021
7DVZ
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BU of 7dvz by Molmil
Structure of a novel beta-mannanase BaMan113A from Bacillus sp. N16-5, N236Y mutation.
分子名称: Endo-beta-1,4-mannanase
著者Liu, W.T, Liu, W.D, Zheng, Y.Y.
登録日2021-01-15
公開日2021-06-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Functional and structural investigation of a novel beta-mannanase BaMan113A from Bacillus sp. N16-5.
Int.J.Biol.Macromol., 182, 2021
7DV7
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BU of 7dv7 by Molmil
Structure of a novel beta-mannanase BaMan113A from Bacillus sp. N16-5.
分子名称: Endo-beta-1,4-mannanase
著者Liu, W.T, Liu, W.D, Zheng, Y.Y.
登録日2021-01-12
公開日2021-06-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Functional and structural investigation of a novel beta-mannanase BaMan113A from Bacillus sp. N16-5.
Int.J.Biol.Macromol., 182, 2021
8X0X
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BU of 8x0x by Molmil
Crystal structure of JE-5C in complex with SARS-CoV-2 RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of JE-5C Fab, Light chain of JE-5C Fab, ...
著者Mohapatra, A, Chen, X.
登録日2023-11-06
公開日2024-06-05
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3.45 Å)
主引用文献The presence of broadly neutralizing anti-SARS-CoV-2 RBD antibodies elicited by primary series and booster dose of COVID-19 vaccine.
Plos Pathog., 20, 2024
8X0Y
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BU of 8x0y by Molmil
Crystal structure of JM-1A in complex with SARS-CoV-2 RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Heavy chain of JM-1A Fab, ...
著者Mohapatra, A, Chen, X.
登録日2023-11-06
公開日2024-06-05
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献The presence of broadly neutralizing anti-SARS-CoV-2 RBD antibodies elicited by primary series and booster dose of COVID-19 vaccine.
Plos Pathog., 20, 2024
7JRE
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BU of 7jre by Molmil
Crystal structure of EV-D68 2A protease C107A mutant
分子名称: Protease 2A, ZINC ION
著者Liu, C, Lee, M.-Y, Liu, W, Wang, J.
登録日2020-08-12
公開日2021-08-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of EV-D68 2A protease C107A mutant
To Be Published
3B5D
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BU of 3b5d by Molmil
EmrE multidrug transporter in complex with TPP, C2 crystal form
分子名称: Multidrug transporter emrE, TETRAPHENYLPHOSPHONIUM
著者Chang, G, Chen, Y.J.
登録日2007-10-25
公開日2007-12-04
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献X-ray structure of EmrE supports dual topology model.
Proc.Natl.Acad.Sci.Usa, 104, 2007
8YZ2
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BU of 8yz2 by Molmil
Cryo-EM structure of a tri-heme cytochrome-associated RC-LH1 complex from a marine photoheterotrophic bacterium, purified with magnesium solutions
分子名称: (21R,24R,27S)-24,27,28-trihydroxy-18,24-dioxo-19,23,25-trioxa-24lambda~5~-phosphaoctacosan-21-yl (9Z)-octadec-9-enoate, (4~{E},16~{E},26~{E})-2-methoxy-2,6,10,14,19,23,27,31-octamethyl-dotriaconta-4,6,8,10,12,14,16,18,20,22,26,30-dodecaen-3-one, Antenna pigment protein alpha chain, ...
著者Chen, J.H, Zheng, Q, Zhang, X.
登録日2024-04-05
公開日2025-04-02
最終更新日2025-06-25
実験手法ELECTRON MICROSCOPY (2.68 Å)
主引用文献Cryo-EM Analysis of a Tri-Heme Cytochrome-Associated RC-LH1 Complex from the Marine Photoheterotrophic Bacterium Dinoroseobacter Shibae.
Adv Sci, 12, 2025
8YY9
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BU of 8yy9 by Molmil
Cryo-EM structure of a tri-heme cytochrome-associated RC-LH1 complex from a marine photoheterotrophic bacterium, purified with magnesium-free solutions.
分子名称: (21R,24R,27S)-24,27,28-trihydroxy-18,24-dioxo-19,23,25-trioxa-24lambda~5~-phosphaoctacosan-21-yl (9Z)-octadec-9-enoate, (4~{E},16~{E},26~{E})-2-methoxy-2,6,10,14,19,23,27,31-octamethyl-dotriaconta-4,6,8,10,12,14,16,18,20,22,26,30-dodecaen-3-one, Antenna pigment protein alpha chain, ...
著者Chen, J.H, Zheng, Q, Zhang, X.
登録日2024-04-03
公開日2025-04-02
最終更新日2025-06-25
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Cryo-EM Analysis of a Tri-Heme Cytochrome-Associated RC-LH1 Complex from the Marine Photoheterotrophic Bacterium Dinoroseobacter Shibae.
Adv Sci, 12, 2025
3B62
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BU of 3b62 by Molmil
EmrE multidrug transporter in complex with P4P, P21 crystal form
分子名称: Multidrug transporter emrE, TETRAPHENYLPHOSPHONIUM
著者Chang, G, Chen, Y.J.
登録日2007-10-26
公開日2007-12-04
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (4.4 Å)
主引用文献X-ray structure of EmrE supports dual topology model.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2IEE
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BU of 2iee by Molmil
Crystal Structure of YCKB_BACSU from Bacillus subtilis. Northeast Structural Genomics Consortium target SR574.
分子名称: Probable ABC transporter extracellular-binding protein yckB
著者Kuzin, A.P, Su, M, Jayaraman, S, Chen, X.C, Jang, M, Cunningham, K, Ma, C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2006-09-18
公開日2006-10-03
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of probable ABC transporter extracellular-binding protein yckB from Bacillus subtilis.
To be Published
3B61
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BU of 3b61 by Molmil
EmrE multidrug transporter, apo crystal form
分子名称: Multidrug transporter emrE
著者Chang, G, Chen, Y.J.
登録日2007-10-26
公開日2007-12-04
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (4.5 Å)
主引用文献X-ray structure of EmrE supports dual topology model.
Proc.Natl.Acad.Sci.Usa, 104, 2007
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
4OVG
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BU of 4ovg by Molmil
E. coli sliding clamp in complex with (R)-9-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
分子名称: (2R)-9-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Yin, Z, Oakley, A.J.
登録日2014-02-21
公開日2014-03-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Bacterial Sliding Clamp Inhibitors that Mimic the Sequential Binding Mechanism of Endogenous Linear Motifs.
J.Med.Chem., 58, 2015
4OVF
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BU of 4ovf by Molmil
E. coli sliding clamp in complex with (R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
分子名称: (2R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid, CALCIUM ION, CHLORIDE ION, ...
著者Yin, Z, Oakley, A.J.
登録日2014-02-21
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Bacterial Sliding Clamp Inhibitors that Mimic the Sequential Binding Mechanism of Endogenous Linear Motifs.
J.Med.Chem., 58, 2015
8DZB
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BU of 8dzb by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor 11
分子名称: 3C-like proteinase nsp5, GLYCEROL, benzyl {(3S)-1-[(2S)-1-({(2S,3R)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidin-3-yl}carbamate
著者Sacco, M, Chen, Y.
登録日2022-08-06
公開日2023-04-05
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Development of the Safe and Broad-Spectrum Aldehyde and Ketoamide Mpro inhibitors Derived from the Constrained alpha , gamma-AA Peptide Scaffold.
Chemistry, 29, 2023
8DZC
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BU of 8dzc by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor 17
分子名称: (3,5-difluorophenyl)methyl {(3S)-1-[(2S)-1-({(2S,3R)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-6-oxopiperidin-3-yl}carbamate, 3C-like proteinase nsp5, GLYCEROL
著者Sacco, M, Chen, Y.
登録日2022-08-06
公開日2023-04-05
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Development of the Safe and Broad-Spectrum Aldehyde and Ketoamide Mpro inhibitors Derived from the Constrained alpha , gamma-AA Peptide Scaffold.
Chemistry, 29, 2023
5VO2
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BU of 5vo2 by Molmil
DLK in complex with inhibitor 5-(1-isopropyl-5-(1-(oxetan-3-yl)piperidin-4-yl)-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyridin-2-amine (compound 7)
分子名称: 5-{5-[1-(oxetan-3-yl)piperidin-4-yl]-1-(propan-2-yl)-1H-pyrazol-3-yl}-3-(trifluoromethyl)pyridin-2-amine, Mitogen-activated protein kinase kinase kinase 12
著者HARRIS, S.F, YIN, J.
登録日2017-05-01
公開日2017-10-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Selective Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12) with Activity in a Model of Alzheimer's Disease.
J. Med. Chem., 60, 2017
5VO1
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DLK in complex with compound 10 (5-(1-isopropyl-5-(3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl)-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyridin-2-amine)
分子名称: 5-{5-[(1R,5S,6r)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-(propan-2-yl)-1H-pyrazol-3-yl}-3-(trifluoromethyl)pyridin-2-amine, Mitogen-activated protein kinase kinase kinase 12
著者HARRIS, S.F, YIN, J.
登録日2017-05-01
公開日2017-10-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Selective Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12) with Activity in a Model of Alzheimer's Disease.
J. Med. Chem., 60, 2017
5WYH
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BU of 5wyh by Molmil
Crystal structure of RidL(1-200) complexed with VPS29
分子名称: GLYCEROL, Interaptin, Vacuolar protein sorting-associated protein 29
著者Yao, J, Sun, Q, Jia, D.
登録日2017-01-13
公開日2018-01-24
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Mechanism of inhibition of retromer transport by the bacterial effector RidL.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018

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