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7BEP
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BU of 7bep by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in a ternary complex with COVOX-384 and S309 Fabs
分子名称: CHLORIDE ION, COVOX-384 heavy chain, COVOX-384 light chain, ...
著者Zhou, D, Zhao, Y, Ren, J, Stuart, D.
登録日2020-12-24
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
7BEN
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BU of 7ben by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in a ternary complex with COVOX-253 and COVOX-75 Fabs
分子名称: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BROMIDE ION, ...
著者Zhou, D, Zhao, Y, Ren, J, Stuart, D.
登録日2020-12-24
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
7BEL
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BU of 7bel by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in a ternary complex with COVOX-88 and COVOX-45 Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, COVOX-45 heavy chain, ...
著者Zhou, D, Zhao, Y, Ren, J, Stuart, D.
登録日2020-12-23
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
7BEK
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BU of 7bek by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-158 Fab (crystal form 2)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Zhou, D, Zhao, Y, Ren, J, Stuart, D.
登録日2020-12-23
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
7BEO
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BU of 7beo by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in a ternary complex with COVOX-253H55L and COVOX-75 Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
著者Zhou, D, Zhao, Y, Ren, J, Stuart, D.
登録日2020-12-24
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
7BEI
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BU of 7bei by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-150 Fab
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, COVOX-150 heavy chain, ...
著者Zhou, D, Zhao, Y, Ren, J, Stuart, D.
登録日2020-12-23
公開日2021-03-03
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
7BEJ
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BU of 7bej by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-158 Fab (crystal form 1)
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, COVOX-158 heavy chain, COVOX-158 light chain, ...
著者Zhou, D, Zhao, Y, Ren, J, Stuart, D.
登録日2020-12-23
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
7ND4
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BU of 7nd4 by Molmil
EM structure of SARS-CoV-2 Spike glycoprotein in complex with COVOX-88 Fab
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, COVOX-88 Fab heavy chain, ...
著者Duyvesteyn, H.M.E, Zhao, Y, Ren, J, Stuart, D.
登録日2021-01-30
公開日2021-03-03
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
7ND3
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BU of 7nd3 by Molmil
EM structure of SARS-CoV-2 Spike glycoprotein in complex with COVOX-40 Fab
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, COVOX-40 heavy chain, ...
著者Duyvesteyn, H.M.E, Zhao, Y, Ren, J, Stuart, D.
登録日2021-01-30
公開日2021-03-03
最終更新日2023-11-29
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
7ND6
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BU of 7nd6 by Molmil
EM structure of SARS-CoV-2 Spike glycoprotein in complex with COVOX-40 Fab
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, COVOX-158 Fab heavy chain, ...
著者Duyvesteyn, H.M.E, Zhao, Y, Ren, J, Stuart, D.
登録日2021-01-30
公開日2021-03-03
最終更新日2021-04-28
実験手法ELECTRON MICROSCOPY (7.3 Å)
主引用文献The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
7NDB
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BU of 7ndb by Molmil
EM structure of SARS-CoV-2 Spike glycoprotein in complex with COVOX-253H165L Fab
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Duyvesteyn, H.M.E, Zhao, Y, Ren, J, Stuart, D.
登録日2021-01-30
公開日2021-03-03
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
7ND7
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BU of 7nd7 by Molmil
EM structure of SARS-CoV-2 Spike glycoprotein in complex with COVOX-316 Fab
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Duyvesteyn, H.M.E, Zhao, Y, Ren, J, Stuart, D.
登録日2021-01-30
公開日2021-03-03
最終更新日2021-04-28
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
7ND8
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BU of 7nd8 by Molmil
EM structure of SARS-CoV-2 Spike glycoprotein in complex with COVOX-384 Fab
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, COVOX-384 Fab heavy chain, ...
著者Duyvesteyn, H.M.E, Zhao, Y, Ren, J, Stuart, D.
登録日2021-01-30
公開日2021-03-03
最終更新日2021-04-28
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
7NDC
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BU of 7ndc by Molmil
EM structure of SARS-CoV-2 Spike glycoprotein (all RBD down) in complex with COVOX-159
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, COVOX-159 Fab light chain, ...
著者Duyvesteyn, H.M.E, Zhao, Y, Ren, J, Stuart, D.
登録日2021-01-30
公開日2021-03-03
最終更新日2021-04-28
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
7ND9
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BU of 7nd9 by Molmil
EM structure of SARS-CoV-2 Spike glycoprotein (one RBD up) in complex with COVOX-253H55L Fab
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Duyvesteyn, H.M.E, Zhao, Y, Ren, J, Stuart, D.
登録日2021-01-30
公開日2021-03-03
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
7NDA
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BU of 7nda by Molmil
EM structure of SARS-CoV-2 Spike glycoprotein (all RBD down) in complex with COVOX-253H55L Fab
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Duyvesteyn, H.M.E, Zhao, Y, Ren, J, Stuart, D.
登録日2021-01-30
公開日2021-03-03
最終更新日2021-04-28
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
7NDD
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BU of 7ndd by Molmil
EM structure of SARS-CoV-2 Spike glycoprotein (one RBD up) in complex with COVOX-159
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, COVOX-159 Fab heavy chain, ...
著者Duyvesteyn, H.M.E, Zhao, Y, Ren, J, Stuart, D.
登録日2021-01-30
公開日2021-03-03
最終更新日2021-04-28
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
7ND5
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BU of 7nd5 by Molmil
EM structure of SARS-CoV-2 Spike glycoprotein in complex with COVOX-150 Fab
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, COVOX-150 Fab heavy chain, ...
著者Duyvesteyn, H.M.E, Zhao, Y, Ren, J, Stuart, D.
登録日2021-01-30
公開日2021-03-03
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
6TD5
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BU of 6td5 by Molmil
Leishmania tarentolae proteasome 20S subunit complexed with LXE408 and bortezomib
分子名称: N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, Proteasome endopeptidase complex, Proteasome subunit alpha type, ...
著者Srinivas, H.
登録日2019-11-07
公開日2020-08-26
最終更新日2020-10-21
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Discovery and Characterization of Clinical Candidate LXE408 as a Kinetoplastid-Selective Proteasome Inhibitor for the Treatment of Leishmaniases.
J.Med.Chem., 63, 2020
6TCZ
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BU of 6tcz by Molmil
Leishmania tarentolae proteasome 20S subunit complexed with LXE408
分子名称: Proteasome endopeptidase complex, Proteasome subunit alpha type, Proteasome subunit beta, ...
著者Srinivas, H.
登録日2019-11-07
公開日2020-08-26
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Discovery and Characterization of Clinical Candidate LXE408 as a Kinetoplastid-Selective Proteasome Inhibitor for the Treatment of Leishmaniases.
J.Med.Chem., 63, 2020
4AA5
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BU of 4aa5 by Molmil
P38ALPHA MAP KINASE BOUND TO CMPD 33
分子名称: MITOGEN-ACTIVATED PROTEIN KINASE 14, N-CYCLOPROPYL-4-METHYL-3-[6-(4-METHYLPIPERAZIN-1-YL)-4-OXIDANYLIDENE-QUINAZOLIN-3-YL]BENZAMIDE
著者Gerhardt, S, Hargreaves, D.
登録日2011-11-30
公開日2012-05-16
最終更新日2019-02-06
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献The Discovery of N-Cyclopropyl-4-Methyl-3-[6--(4-Methylpiperazin-1-Yl-4-Oxoquinazolin-3(4H)-Yl]Benzamide (Azd6703), a Clinical P38Alpha Map Kinase Inhibitor for the Treatment of Inflammatory Diseases
Bioorg.Med.Chem.Lett., 22, 2012
4AA0
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BU of 4aa0 by Molmil
P38ALPHA MAP KINASE BOUND TO CMPD 2
分子名称: MITOGEN-ACTIVATED PROTEIN KINASE 14, N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinazolin-3-yl]phenyl]-2-morpholin-4-yl-pyridine-4-carboxamide
著者Gerhardt, S, Hargreaves, D.
登録日2011-11-30
公開日2012-05-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Discovery of N-Cyclopropyl-4-Methyl-3-[6--(4-Methylpiperazin-1-Yl-4-Oxoquinazolin-3(4H)-Yl]Benzamide (Azd6703), a Clinical P38Alpha Map Kinase Inhibitor for the Treatment of Inflammatory Diseases
Bioorg.Med.Chem.Lett., 22, 2012
4A9Y
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BU of 4a9y by Molmil
P38ALPHA MAP KINASE BOUND TO CMPD 8
分子名称: MITOGEN-ACTIVATED PROTEIN KINASE 14, N-(3-{[7-METHOXY-6-(2-PYRROLIDIN-1-YLETHOXY)QUINAZOLIN-4-YL]AMINO}-4-METHYLPHENYL)-2-MORPHOLIN-4-YLISONICOTINAMIDE
著者Gerhardt, S, Hargreaves, D.
登録日2011-11-29
公開日2012-05-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Discovery of N-Cyclopropyl-4-Methyl-3-[6--(4-Methylpiperazin-1-Yl-4-Oxoquinazolin-3(4H)-Yl]Benzamide (Azd6703), a Clinical P38Alpha Map Kinase Inhibitor for the Treatment of Inflammatory Diseases
Bioorg.Med.Chem.Lett., 22, 2012
4AAC
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BU of 4aac by Molmil
P38ALPHA MAP KINASE BOUND TO CMPD 29
分子名称: CHLORIDE ION, MITOGEN-ACTIVATED PROTEIN KINASE 14, N-isoxazol-3-yl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxo-quinazolin-3-yl]benzamide
著者Gerhardt, S, Hargreaves, D.
登録日2011-12-01
公開日2012-05-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The Discovery of N-Cyclopropyl-4-Methyl-3-[6--(4-Methylpiperazin-1-Yl-4-Oxoquinazolin-3(4H)-Yl]Benzamide (Azd6703), a Clinical P38Alpha Map Kinase Inhibitor for the Treatment of Inflammatory Diseases
Bioorg.Med.Chem.Lett., 22, 2012
4AA4
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BU of 4aa4 by Molmil
P38ALPHA MAP KINASE BOUND TO CMPD 22
分子名称: MITOGEN-ACTIVATED PROTEIN KINASE 14, N-[4-METHYL-3-[6-(4-METHYLPIPERAZIN-1-YL)-4-OXIDANYLIDENE-QUINAZOLIN-3-YL]PHENYL]FURAN-3-CARBOXAMIDE
著者Gerhardt, S, Hargreaves, D.
登録日2011-11-30
公開日2012-05-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Discovery of N-Cyclopropyl-4-Methyl-3-[6--(4-Methylpiperazin-1-Yl-4-Oxoquinazolin-3(4H)-Yl]Benzamide (Azd6703), a Clinical P38Alpha Map Kinase Inhibitor for the Treatment of Inflammatory Diseases
Bioorg.Med.Chem.Lett., 22, 2012
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