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7ENE
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BU of 7ene by Molmil
Crystal structure of MERS-CoV 3CLpro in complex with the non-covalent inhibitor WU-04
分子名称: ORF1a protein, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide
著者Hou, N, Peng, C, Hu, Q.
登録日2021-04-16
公開日2022-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023
6HGY
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BU of 6hgy by Molmil
CRYSTAL STRUCTURE OF CATHEPSIN K WITH N-DESMETHYL THALASSOSPIRAMIDE C
分子名称: Cathepsin K, THALASSOSPIRAMIDE C
著者Zakarian, A, Buckman, B.O, Adler, M, Griessner, A, Blaesse, M.
登録日2018-08-23
公開日2019-06-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Total Synthesis of Covalent Cysteine Protease Inhibitor N-Desmethyl Thalassospiramide C and Crystallographic Evidence for Its Mode of Action.
Org.Lett., 21, 2019
7X9E
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BU of 7x9e by Molmil
Crystal structure of the 76E1 Fab in complex with a SARS-CoV-2 spike peptide
分子名称: 76E1 Fab Heavy Chain, 76E1 Fab Light Chain, Spike peptide
著者Chen, X, Zhang, T, Ding, J, Sun, X, Sun, B.
登録日2022-03-15
公開日2022-05-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Neutralization mechanism of a human antibody with pan-coronavirus reactivity including SARS-CoV-2.
Nat Microbiol, 7, 2022
3UGF
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BU of 3ugf by Molmil
Crystal structure of a 6-SST/6-SFT from Pachysandra terminalis
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, SULFATE ION, ...
著者Lammens, W, Rabijns, A, Van Laere, A, Strelkov, S.V, Van den Ende, W.
登録日2011-11-02
公開日2011-11-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of 6-SST/6-SFT from Pachysandra terminalis, a plant fructan biosynthesizing enzyme in complex with its acceptor substrate 6-kestose.
Plant J., 70, 2012
3UGH
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BU of 3ugh by Molmil
Crystal structure of a 6-SST/6-SFT from Pachysandra terminalis in complex with 6-kestose
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, SULFATE ION, ...
著者Lammens, W, Rabijns, A, Van Laere, A, Strelkov, S.V, Van den Ende, W.
登録日2011-11-02
公開日2011-11-30
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of 6-SST/6-SFT from Pachysandra terminalis, a plant fructan biosynthesizing enzyme in complex with its acceptor substrate 6-kestose.
Plant J., 70, 2012
7XH8
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BU of 7xh8 by Molmil
The structure of ZCB11 Fab against SARS-CoV-2 Omicron Spike
分子名称: Spike glycoprotein, The heavy chain of ZCB11 antibody, The light chain of ZCB11 antibody
著者Hang, L, Dang, S.
登録日2022-04-07
公開日2022-06-29
最終更新日2022-07-13
実験手法ELECTRON MICROSCOPY (2.99 Å)
主引用文献A broadly neutralizing antibody protects Syrian hamsters against SARS-CoV-2 Omicron challenge.
Nat Commun, 13, 2022
7UKL
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BU of 7ukl by Molmil
Cryo-EM structure of Antibody 12-16 in complex with prefusion SARS-CoV-2 Spike glycoprotein
分子名称: 12-16 Fab Heavy Chain, 12-16 Fab Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Casner, R.G, Shapiro, L.
登録日2022-04-01
公開日2023-10-04
最終更新日2023-10-25
実験手法ELECTRON MICROSCOPY (3.09 Å)
主引用文献Antibodies targeting a quaternary site on SARS-CoV-2 spike glycoprotein prevent viral receptor engagement by conformational locking.
Immunity, 56, 2023
5YAO
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BU of 5yao by Molmil
The complex structure of SZ529 and expoxid
分子名称: (1R,5S)-6-oxabicyclo[3.1.0]hexane, Limonene-1,2-epoxide hydrolase, SODIUM ION
著者Lian, W, Sun, Z.T, Zhou, J.H, Reetz, M.T.
登録日2017-09-01
公開日2018-06-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.611 Å)
主引用文献Structural and Computational Insight into the Catalytic Mechanism of Limonene Epoxide Hydrolase Mutants in Stereoselective Transformations
J. Am. Chem. Soc., 140, 2018
5YNG
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BU of 5yng by Molmil
Crystal structure of SZ348 in complex with cyclopentene oxide
分子名称: (1R,5S)-6-oxabicyclo[3.1.0]hexane, Limonene-1,2-epoxide hydrolase, NICKEL (II) ION, ...
著者Wu, L, Sun, Z.T, Reetz, M.T, Zhou, J.H.
登録日2017-10-24
公開日2018-06-27
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.497 Å)
主引用文献Structural and Computational Insight into the Catalytic Mechanism of Limonene Epoxide Hydrolase Mutants in Stereoselective Transformations.
J. Am. Chem. Soc., 140, 2018
5YQT
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BU of 5yqt by Molmil
Crystal Structure of the L74F/M78V/I80V/L114F mutant of LEH complexed with cyclopentene oxide
分子名称: (1R,5S)-6-oxabicyclo[3.1.0]hexane, Limonene-1,2-epoxide hydrolase
著者Kong, X.D, Sun, Z.T, Wu, L, Reetz, M.T, Zhou, J.H, Xu, J.H.
登録日2017-11-07
公開日2018-06-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and Computational Insight into the Catalytic Mechanism of Limonene Epoxide Hydrolase Mutants in Stereoselective Transformations.
J. Am. Chem. Soc., 140, 2018
7XLB
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BU of 7xlb by Molmil
Cryo-EM structure of human pannexin 2
分子名称: Pannexin-2
著者Hang, Z, Huawei, Z, Daping, W.
登録日2022-04-21
公開日2023-03-15
実験手法ELECTRON MICROSCOPY (3.44 Å)
主引用文献Cryo-EM structure of human heptameric pannexin 2 channel
Nat Commun, 14, 2023
7WH8
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BU of 7wh8 by Molmil
SARS-CoV-2 spike in complex with the ZB8 neutralizing antibody Fab (focused refinement on Fab-RBD)
分子名称: Spike glycoprotein, antibody ZB8 heavy chain, antibody ZB8 light chain
著者Zeng, J.W.
登録日2021-12-30
公開日2023-01-18
最終更新日2023-09-06
実験手法ELECTRON MICROSCOPY (3.11 Å)
主引用文献SARS-CoV-2 hijacks neutralizing dimeric IgA for nasal infection and injury in Syrian hamsters 1 .
Emerg Microbes Infect, 12, 2023
7WHD
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BU of 7whd by Molmil
SARS-CoV-2 spike in complex with the ZB8 neutralizing antibody Fab (2u1d)
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Zeng, J.W, Wang, X.W, Ge, J.W, Wang, Z.Y.
登録日2021-12-30
公開日2023-01-18
最終更新日2023-09-06
実験手法ELECTRON MICROSCOPY (2.65 Å)
主引用文献SARS-CoV-2 hijacks neutralizing dimeric IgA for nasal infection and injury in Syrian hamsters 1 .
Emerg Microbes Infect, 12, 2023
5YWF
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BU of 5ywf by Molmil
Crystal structure of 2H4 Fab
分子名称: 2H4 heavy chain, 2H4 light chain
著者Qiu, X, Lei, Y, Yang, P, Gao, Q, Wang, N, Cao, L, Wang, X, Xu, Z.K, Rao, Z.
登録日2017-11-29
公開日2018-03-21
実験手法X-RAY DIFFRACTION (2.206 Å)
主引用文献Structural basis for neutralization of Japanese encephalitis virus by two potent therapeutic antibodies
Nat Microbiol, 3, 2018
7XF5
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BU of 7xf5 by Molmil
Full length human CLC-2 channel in apo state
分子名称: Chloride channel protein 2
著者Wang, L.
登録日2022-04-01
公開日2023-05-03
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Cryo-EM structures of ClC-2 chloride channel reveal the blocking mechanism of its specific inhibitor AK-42
Nat Commun, 14, 2023
7XJA
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BU of 7xja by Molmil
TMD masked refine map of human ClC-2
分子名称: Chloride channel protein 2
著者Wang, L.
登録日2022-04-15
公開日2023-05-17
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM structures of ClC-2 chloride channel reveal the blocking mechanism of its specific inhibitor AK-42
Nat Commun, 14, 2023
5ZE4
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BU of 5ze4 by Molmil
The structure of holo- structure of DHAD complex with [2Fe-2S] cluster
分子名称: ACETATE ION, Dihydroxy-acid dehydratase, chloroplastic, ...
著者Zhou, J, Zang, X, Tang, Y, Yan, Y, Gan, J, Wu, L.
登録日2018-02-26
公開日2018-07-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Resistance-gene-directed discovery of a natural-product herbicide with a new mode of action.
Nature, 559, 2018
7WHB
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BU of 7whb by Molmil
SARS-CoV-2 spike in complex with the ZB8 neutralizing antibody Fab (3U)
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Zeng, J.W, Ge, J.W, Wang, X.Q.
登録日2021-12-30
公開日2023-01-18
最終更新日2023-09-06
実験手法ELECTRON MICROSCOPY (2.67 Å)
主引用文献SARS-CoV-2 hijacks neutralizing dimeric IgA for nasal infection and injury in Syrian hamsters 1 .
Emerg Microbes Infect, 12, 2023
6A72
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BU of 6a72 by Molmil
Copper transporter protein
分子名称: ATP7B protein, CALCIUM ION, dioxo(di-mu-sulfide)dimolybdenum
著者Chen, W.B.
登録日2018-07-01
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Tetrathiomolybdate induces dimerization of the metal-binding domain of ATPase and inhibits platination of the protein.
Nat Commun, 10, 2019
6JQ6
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BU of 6jq6 by Molmil
Hatchet Ribozyme Structure soaking with Ir(NH3)6+
分子名称: IRIDIUM HEXAMMINE ION, RNA (81-MER)
著者Ren, A, Zheng, L.
登録日2019-03-29
公開日2019-06-12
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.626 Å)
主引用文献Hatchet ribozyme structure and implications for cleavage mechanism.
Proc.Natl.Acad.Sci.USA, 116, 2019
6JQ5
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BU of 6jq5 by Molmil
The structure of Hatchet Ribozyme
分子名称: MAGNESIUM ION, RNA (82-MER)
著者Ren, A, Zheng, L.
登録日2019-03-29
公開日2019-06-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.059 Å)
主引用文献Hatchet ribozyme structure and implications for cleavage mechanism.
Proc.Natl.Acad.Sci.USA, 116, 2019
7F3N
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BU of 7f3n by Molmil
Structure of PopP2 in apo form
分子名称: Type III effector protein popp2
著者Xia, Y, Zhang, Z.M.
登録日2021-06-16
公開日2021-11-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.351856 Å)
主引用文献Secondary-structure switch regulates the substrate binding of a YopJ family acetyltransferase.
Nat Commun, 12, 2021
7YBM
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BU of 7ybm by Molmil
SARS-CoV-2 C.1.2 variant spike (Close 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wang, X, Fu, W.
登録日2022-06-29
公開日2023-08-09
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (3.45 Å)
主引用文献Structures of SARS-CoV-2 spike protein alert noteworthy sites for the potential approaching variants.
Virol Sin, 37, 2022
7YBH
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BU of 7ybh by Molmil
SARS-CoV-2 lambda variant spike
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Wang, X, Fu, W.
登録日2022-06-29
公開日2023-08-09
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structures of SARS-CoV-2 spike protein alert noteworthy sites for the potential approaching variants.
Virol Sin, 37, 2022
7YBL
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BU of 7ybl by Molmil
SARS-CoV-2 B.1.620 variant spike (close 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wang, X, Fu, W.
登録日2022-06-29
公開日2023-08-09
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structures of SARS-CoV-2 spike protein alert noteworthy sites for the potential approaching variants.
Virol Sin, 37, 2022

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