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8C7W
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Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2304
分子名称: 1,2-ETHANEDIOL, 6-methyl-9-piperazin-1-yl-4-(3,4,5-trimethoxyphenyl)-5,7-dihydropyrido[4,3-d][2]benzazepine, Activin receptor type I, ...
著者Cros, J, Williams, E.P, Sweeney, M.N, Smil, D, Gonzalez-Alvarez, H, Al-awar, R, Bullock, A.N.
登録日2023-01-17
公開日2023-02-08
最終更新日2024-08-14
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Discovery of Conformationally Constrained ALK2 Inhibitors.
J.Med.Chem., 67, 2024
7ZFE
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BU of 7zfe by Molmil
SARS-CoV-2 Omicron RBD in complex with Omi-32 Fab and nanobody C1
分子名称: Nanobody C1, Omi-32 heavy chain, Omi-32 light chain, ...
著者Zhou, D, Huo, J, Ren, J, Stuart, D.I.
登録日2022-04-01
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Potent cross-reactive antibodies following Omicron breakthrough in vaccinees.
Cell, 185, 2022
7ZFD
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BU of 7zfd by Molmil
SARS-CoV-2 Omicron RBD in complex with Omi-25 Fab
分子名称: Omi-25 heavy chain, Omi-25 light chain, Spike protein S1
著者Zhou, D, Huo, J, Ren, J, Stuart, D.I.
登録日2022-04-01
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.39 Å)
主引用文献Potent cross-reactive antibodies following Omicron breakthrough in vaccinees.
Cell, 185, 2022
7ZFF
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BU of 7zff by Molmil
Omi-42 Fab
分子名称: GLYCEROL, Omi-42 Heavy chain, Omi-42 light chain
著者Zhou, D, Huo, J, Ren, J, Stuart, D.I.
登録日2022-04-01
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Potent cross-reactive antibodies following Omicron breakthrough in vaccinees.
Cell, 185, 2022
7ZF6
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BU of 7zf6 by Molmil
Omi-12 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, GLYCEROL, ...
著者Zhou, D, Huo, J, Ren, J, Stuart, D.I.
登録日2022-04-01
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Potent cross-reactive antibodies following Omicron breakthrough in vaccinees.
Cell, 185, 2022
7ZFC
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BU of 7zfc by Molmil
SARS-CoV-2 Beta RBD in complex with nanobody C1, Omi-18 and Omi-31 Fabs
分子名称: Nanobody C1, Omi-18 heavy chain, Omi-18 light chain, ...
著者Zhou, D, Huo, J, Ren, J, Stuart, D.I.
登録日2022-04-01
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.24 Å)
主引用文献Potent cross-reactive antibodies following Omicron breakthrough in vaccinees.
Cell, 185, 2022
7ZF8
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BU of 7zf8 by Molmil
SARS-CoV-2 Omicron BA.2 RBD in complex with COVOX-150 Fab
分子名称: COVOX-150 heavy chain, COVOX-150 light chain, Spike protein S1
著者Zhou, D, Huo, J, Ren, J, Stuart, D.I.
登録日2022-04-01
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Potent cross-reactive antibodies following Omicron breakthrough in vaccinees.
Cell, 185, 2022
7ZFB
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BU of 7zfb by Molmil
SARS-CoV-2 Omicron RBD in complex with nanobody C1, Omi-18 and Omi-31 Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody C1, Omi-18 heavy chain, ...
著者Zhou, D, Huo, J, Ren, J, Stuart, D.I.
登録日2022-04-01
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.08 Å)
主引用文献Potent cross-reactive antibodies following Omicron breakthrough in vaccinees.
Cell, 185, 2022
7ZF9
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BU of 7zf9 by Molmil
SARS-CoV-2 Omicron BA.2 RBD in complex with COVOX-150 Fab (P21)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-150 heavy chain, COVOX-150 light chain, ...
著者Zhou, D, Huo, J, Ren, J, Stuart, D.I.
登録日2022-04-01
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Potent cross-reactive antibodies following Omicron breakthrough in vaccinees.
Cell, 185, 2022
7ZF7
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BU of 7zf7 by Molmil
SARS-CoV-2 Omicron BA.2 RBD in complex with ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1, ...
著者Zhou, D, Huo, J, Ren, J, Stuart, D.I.
登録日2022-04-01
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.46 Å)
主引用文献Potent cross-reactive antibodies following Omicron breakthrough in vaccinees.
Cell, 185, 2022
7ZF5
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BU of 7zf5 by Molmil
SARS-CoV-2 Omicron RBD in complex with Omi-12 and Beta-54 Fabs
分子名称: Beta-54 heavy chain, Beta-54 light chain, Omi-12 heavy chain, ...
著者Zhou, D, Huo, J, Ren, J, Stuart, D.I.
登録日2022-04-01
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (5.32 Å)
主引用文献Potent cross-reactive antibodies following Omicron breakthrough in vaccinees.
Cell, 185, 2022
7ZF3
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BU of 7zf3 by Molmil
SARS-CoV-2 Omicron RBD in complex with Omi-3 and EY6A Fabs
分子名称: EY6A heavy chain, EY6A light chain, GLYCEROL, ...
著者Zhou, D, Huo, J, Ren, J, Stuart, D.I.
登録日2022-04-01
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Potent cross-reactive antibodies following Omicron breakthrough in vaccinees.
Cell, 185, 2022
7ZF4
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BU of 7zf4 by Molmil
SARS-CoV-2 Omicron RBD in complex with Omi-9 Fab and nanobody F2
分子名称: Nanobody F2, Omi-9 heavy chain, Omi-9 light chain, ...
著者Zhou, D, Huo, J, Ren, J, Stuart, D.I.
登録日2022-04-01
公開日2022-06-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (4.18 Å)
主引用文献Potent cross-reactive antibodies following Omicron breakthrough in vaccinees.
Cell, 185, 2022
5XJ7
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BU of 5xj7 by Molmil
Crystal structure of PlsY (YgiH), an integral membrane glycerol 3-phosphate acyltransferase - the acyl phosphate form
分子名称: (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, Glycerol-3-phosphate acyltransferase, PHOSPHATE ION, ...
著者Tang, Y, Li, Z, Li, D.
登録日2017-04-30
公開日2017-12-06
実験手法X-RAY DIFFRACTION (1.772 Å)
主引用文献Structural insights into the committed step of bacterial phospholipid biosynthesis.
Nat Commun, 8, 2017
8C3V
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BU of 8c3v by Molmil
SARS-CoV-2 Delta-RBD complexed with BA.2-13 Fab and C1 nanobody
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, BA.2-13 heavy chain, BA.2-13 light chain, ...
著者Zhou, D, Ren, J, Stuart, D.I.
登録日2022-12-28
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Rapid escape of new SARS-CoV-2 Omicron variants from BA.2-directed antibody responses.
Cell Rep, 42, 2023
5XKA
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BU of 5xka by Molmil
Crystal structure of M.tuberculosis PknI kinase domain
分子名称: Serine/threonine-protein kinase PknI
著者Yan, Q, Jiang, D, Qian, L, Zhang, Q, Zhang, W, Zhou, W, Mi, K, Guddat, L, Yang, H, Rao, Z.
登録日2017-05-06
公開日2018-05-16
実験手法X-RAY DIFFRACTION (1.599 Å)
主引用文献Structural Insight into the Activation of PknI Kinase from M. tuberculosis via Dimerization of the Extracellular Sensor Domain.
Structure, 25, 2017
5X58
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BU of 5x58 by Molmil
Prefusion structure of SARS-CoV spike glycoprotein, conformation 1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Yuan, Y, Cao, D, Zhang, Y, Ma, J, Qi, J, Wang, Q, Lu, G, Wu, Y, Yan, J, Shi, Y, Zhang, X, Gao, G.F.
登録日2017-02-15
公開日2017-05-03
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM structures of MERS-CoV and SARS-CoV spike glycoproteins reveal the dynamic receptor binding domains
Nat Commun, 8, 2017
5XJK
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BU of 5xjk by Molmil
NMR Structure and Localization of a Large Fragment of the SARS-CoV Fusion Protein: Implications in Viral Cell Fusion
分子名称: Spike protein S2
著者Bhattacharjya, S, Chatterjee, D.
登録日2017-05-02
公開日2017-09-06
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献NMR structure and localization of a large fragment of the SARS-CoV fusion protein: Implications in viral cell fusion.
Biochim. Biophys. Acta, 1860, 2017
7ZFA
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BU of 7zfa by Molmil
SARS-CoV-2 Omicron RBD in complex with Omi-6 and COVOX-150 Fabs
分子名称: COVOX-150 heavy chain, COVOX-150 light chain, Omi-6 heavy chain, ...
著者Zhou, D, Huo, J, Ren, J, Stuart, D.I.
登録日2022-04-01
公開日2022-06-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (4.24 Å)
主引用文献Potent cross-reactive antibodies following Omicron breakthrough in vaccinees.
Cell, 185, 2022
5X5B
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BU of 5x5b by Molmil
Prefusion structure of SARS-CoV spike glycoprotein, conformation 2
分子名称: Spike glycoprotein
著者Yuan, Y, Cao, D, Zhang, Y, Ma, J, Qi, J, Wang, Q, Lu, G, Wu, Y, Yan, J, Shi, Y, Zhang, X, Gao, G.F.
登録日2017-02-15
公開日2017-05-03
最終更新日2017-05-24
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Cryo-EM structures of MERS-CoV and SARS-CoV spike glycoproteins reveal the dynamic receptor binding domains
Nat Commun, 8, 2017
5XDH
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BU of 5xdh by Molmil
His/DOPA ligated cytochrome c from an anammox organism KSU-1
分子名称: ACETATE ION, HEME C, Putative cytochrome c, ...
著者Hira, D, Kitamura, R, Nakamura, T, Yamagata, Y, Furukawa, K, Fujii, T.
登録日2017-03-28
公開日2018-03-28
最終更新日2019-10-02
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Anammox Organism KSU-1 Expresses a Novel His/DOPA Ligated Cytochrome c.
J. Mol. Biol., 430, 2018
5XBP
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BU of 5xbp by Molmil
Oxygenase component of 3-nitrotoluene dioxygenase from Diaphorobacter sp. strain DS2
分子名称: 3NT oxygenase alpha subunit, 3NT oxygenase beta subunit, FE (III) ION, ...
著者Ramaswamy, S, Kumari, A, Singh, D, Gurunath, R.
登録日2017-03-21
公開日2017-04-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural and functional studies of ferredoxin and oxygenase components of 3-nitrotoluene dioxygenase from Diaphorobacter sp. strain DS2.
PLoS ONE, 12, 2017
5XF1
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BU of 5xf1 by Molmil
Structure of the Full-length glucagon class B G protein-coupled receptor
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)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhang, H, Qiao, A, Yang, D, Yang, L, Dai, A, de Graaf, C, Reedtz-Runge, S, Dharmarajan, V, Zhang, H, Han, G.W, Grant, T, Sierra, R, Weierstall, U, Nelson, G, Liu, W, Wu, Y, Ma, L, Cai, X, Lin, G, Wu, X, Geng, Z, Dong, Y, Song, G, Griffin, P, Lau, J, Cherezov, V, Yang, H, Hanson, M, Stevens, R, Jiang, H, Wang, M, Zhao, Q, Wu, B.
登録日2017-04-06
公開日2017-05-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献Structure of the full-length glucagon class B G-protein-coupled receptor.
Nature, 546, 2017
5XI4
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BRD4 bound with compound Bdi4
分子名称: (3~{S})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{S})-1-(4-methylphenyl)ethyl]amino]-3~{H}-quinoxalin-2-one, Bromodomain-containing protein 4
著者Xiong, B, Cao, D, Li, Y.
登録日2017-04-25
公開日2018-05-02
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.486 Å)
主引用文献BRD4 bound with compound Bdi4
To Be Published
5XJ9
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BU of 5xj9 by Molmil
Crystal structure of PlsY (YgiH), an integral membrane glycerol 3-phosphate acyltransferase - the orthophosphate form
分子名称: (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, Glycerol-3-phosphate acyltransferase, PHOSPHATE ION
著者Li, Z, Tang, Y, Li, D.
登録日2017-04-30
公開日2017-12-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Structural insights into the committed step of bacterial phospholipid biosynthesis.
Nat Commun, 8, 2017

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