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8JYN
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BU of 8jyn by Molmil
Structure of SARS-CoV-2 XBB.1.5 spike glycoprotein in complex with ACE2 (1-up state)
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, Processed angiotensin-converting enzyme 2, ...
著者Yajima, H, Anraku, Y, Kita, S, Kimura, K, Sasaki, J, Sasaki-Tabata, K, Maenaka, K, Hashiguchi, T.
登録日2023-07-03
公開日2024-01-03
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献Virological characteristics of the SARS-CoV-2 XBB.1.5 variant
To Be Published
8JYO
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BU of 8jyo by Molmil
Structure of SARS-CoV-2 XBB.1.5 spike glycoprotein in complex with ACE2 (2-up state)
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, Processed angiotensin-converting enzyme 2, ...
著者Yajima, H, Anraku, Y, Kita, S, Kimura, K, Sasaki, J, Sasaki-Tabata, K, Maenaka, K, Hashiguchi, T.
登録日2023-07-03
公開日2024-01-03
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Virological characteristics of the SARS-CoV-2 XBB.1.5 variant
To Be Published
5TF9
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BU of 5tf9 by Molmil
Crystal structure of WNK1 in complex with Mn2+AMPPNP and WNK476
分子名称: CALCIUM ION, MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Xie, X, Gunawan, J.
登録日2016-09-24
公開日2016-10-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery and Characterization of Allosteric WNK Kinase Inhibitors.
ACS Chem. Biol., 11, 2016
8IF2
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BU of 8if2 by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Omicron BQ.1.1 variant spike protein in complex with its receptor ACE2
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, Processed angiotensin-converting enzyme 2, ...
著者Kimura, K, Suzuki, T, Hashiguchi, T.
登録日2023-02-17
公開日2023-05-17
最終更新日2023-05-24
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Convergent evolution of SARS-CoV-2 Omicron subvariants leading to the emergence of BQ.1.1 variant.
Nat Commun, 14, 2023
8IOS
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BU of 8ios by Molmil
Structure of the SARS-CoV-2 XBB.1 spike glycoprotein (closed-1 state)
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, Spike glycoprotein
著者Anraku, Y, Kita, S, Yajima, H, Sasaki, J, Sasaki-Tabata, K, Maenaka, K, Hashiguchi, T.
登録日2023-03-13
公開日2023-05-24
最終更新日2023-07-19
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Virological characteristics of the SARS-CoV-2 XBB variant derived from recombination of two Omicron subvariants.
Nat Commun, 14, 2023
8IOU
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BU of 8iou by Molmil
Structure of SARS-CoV-2 XBB.1 spike glycoprotein in complex with ACE2 (1-up state)
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, Processed angiotensin-converting enzyme 2, ...
著者Anraku, Y, Kita, S, Yajima, H, Sasaki, J, Sasaki-Tabata, K, Maenaka, K, Hashiguchi, T.
登録日2023-03-13
公開日2023-05-24
最終更新日2023-07-19
実験手法ELECTRON MICROSCOPY (3.18 Å)
主引用文献Virological characteristics of the SARS-CoV-2 XBB variant derived from recombination of two Omicron subvariants.
Nat Commun, 14, 2023
8IOV
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BU of 8iov by Molmil
Structure of SARS-CoV-2 XBB.1 spike RBD in complex with ACE2
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, Processed angiotensin-converting enzyme 2, ...
著者Anraku, Y, Kita, S, Yajima, H, Sasaki, J, Sasaki-Tabata, K, Maenaka, K, Hashiguchi, T.
登録日2023-03-13
公開日2023-05-24
最終更新日2023-07-19
実験手法ELECTRON MICROSCOPY (3.29 Å)
主引用文献Virological characteristics of the SARS-CoV-2 XBB variant derived from recombination of two Omicron subvariants.
Nat Commun, 14, 2023
8IOT
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BU of 8iot by Molmil
Structure of the SARS-CoV-2 XBB.1 spike glycoprotein (closed-2 state)
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, Spike glycoprotein
著者Anraku, Y, Kita, S, Yajima, H, Sasaki, J, Sasaki-Tabata, K, Maenaka, K, Hashiguchi, T.
登録日2023-03-13
公開日2023-05-24
最終更新日2023-07-19
実験手法ELECTRON MICROSCOPY (2.51 Å)
主引用文献Virological characteristics of the SARS-CoV-2 XBB variant derived from recombination of two Omicron subvariants.
Nat Commun, 14, 2023
7XWA
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BU of 7xwa by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Omicron BA.4/5 variant spike protein in complex with its receptor ACE2
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, Processed angiotensin-converting enzyme 2, ...
著者Suzuki, T, Kimura, K, Hashiguchi, T.
登録日2022-05-26
公開日2022-09-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.36 Å)
主引用文献Virological characteristics of the SARS-CoV-2 Omicron BA.2 subvariants, including BA.4 and BA.5.
Cell, 185, 2022
8HDD
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BU of 8hdd by Molmil
Complex structure of catalytic, small, and a partial electron transfer subunits from Burkholderia cepacia FAD glucose dehydrogenase
分子名称: FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, Glucose dehydrogenase, ...
著者Yoshida, H, Sode, K.
登録日2022-11-04
公開日2022-12-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Microgravity environment grown crystal structure information based engineering of direct electron transfer type glucose dehydrogenase.
Commun Biol, 5, 2022
8GRJ
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BU of 8grj by Molmil
Crystal structure of gamma-alpha subunit complex from Burkholderia cepacia FAD glucose dehydrogenase in complex with gluconolactone
分子名称: D-glucono-1,5-lactone, FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Yoshida, H, Kojima, K, Tsugawa, W, Okuda-Shimazaki, J, Kerrigan, J.A, Sode, K.
登録日2022-09-01
公開日2023-09-06
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Crystal structure of gamma-alpha subunit complex from Burkholderia cepacia FAD glucose dehydrogenase in complex with gluconolactone
To Be Published
5DRB
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BU of 5drb by Molmil
Crystal structure of WNK1 in complex with WNK463
分子名称: N-tert-butyl-1-(1-{5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-yl}piperidin-4-yl)-1H-imidazole-5-carboxamide, Serine/threonine-protein kinase WNK1
著者Kohls, D, Xie, X.
登録日2015-09-15
公開日2016-09-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Small-molecule WNK inhibition regulates cardiovascular and renal function.
Nat.Chem.Biol., 12, 2016
8HR3
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BU of 8hr3 by Molmil
[D-Cys5,Asp7,Val8,D-Lys16]-STp(5-17)
分子名称: DCY-CYS-ASP-VAL-CYS-CYS-ASN-PRO-ALA-CYS-ALA-DLY-CYS
著者Shimamoto, S, Hidaka, Y, Yoshino, S, Goto, M.
登録日2022-12-14
公開日2023-09-20
実験手法SOLUTION NMR
主引用文献The Molecular Basis of Heat-Stable Enterotoxin for Vaccine Development and Cancer Cell Detection.
Molecules, 28, 2023
5WE8
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BU of 5we8 by Molmil
Crystal structure of WNK1 in complex with N-{(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl}-2-(3-methoxyphenyl)-N-methylquinoline-4-carboxamide (compound 8)
分子名称: MANGANESE (II) ION, N-{(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl}-2-(3-methoxyphenyl)-N-methylquinoline-4-carboxamide, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Xie, X, Kohls, D.
登録日2017-07-07
公開日2017-08-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.006 Å)
主引用文献Optimization of Allosteric With-No-Lysine (WNK) Kinase Inhibitors and Efficacy in Rodent Hypertension Models.
J. Med. Chem., 60, 2017
5WDY
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BU of 5wdy by Molmil
Crystal structure of WNK1 in complex with 1-cyclohexyl-N-({6-fluoro-1-[2-(3-methoxyphenyl)pyridin-4-yl]-1H-indol-3-yl}methyl)methanamine (compound 6)
分子名称: 1-cyclohexyl-N-({6-fluoro-1-[2-(3-methoxyphenyl)pyridin-4-yl]-1H-indol-3-yl}methyl)methanamine, MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Xie, X, Kohls, D.
登録日2017-07-06
公開日2017-08-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.458 Å)
主引用文献Optimization of Allosteric With-No-Lysine (WNK) Kinase Inhibitors and Efficacy in Rodent Hypertension Models.
J. Med. Chem., 60, 2017
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