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8H00
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BU of 8h00 by Molmil
SARS-CoV-2 Omicron BA.1 Spike glycoprotein in complex with rabbit monoclonal antibody 1H1 Fab in the class 1 conformation
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Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X.
登録日2022-09-27
公開日2023-04-12
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.41 Å)
主引用文献Mechanism of a rabbit monoclonal antibody broadly neutralizing SARS-CoV-2 variants.
Commun Biol, 6, 2023
8H01
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BU of 8h01 by Molmil
SARS-CoV-2 Omicron BA.1 Spike glycoprotein in complex with rabbit monoclonal antibody 1H1 Fab in class 2 conformation
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Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X.
登録日2022-09-27
公開日2023-04-12
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Mechanism of a rabbit monoclonal antibody broadly neutralizing SARS-CoV-2 variants.
Commun Biol, 6, 2023
4PQ6
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BU of 4pq6 by Molmil
A sperm whale myoglobin single mutant L29E Mb with native His93 coordination
分子名称: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
著者Ying-Wu, L, Xiang-shi, T, Wei, L.
登録日2014-02-28
公開日2015-01-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Regulating the coordination state of a heme protein by a designed distal hydrogen-bonding network.
ChemistryOpen, 4, 2015
4PQB
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BU of 4pqb by Molmil
A sperm whale myoglobin double mutant L29E/F43H Mb with a non-native bis-His (His64/His93) coordination
分子名称: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
著者Ying-wu, L, Xiang-shi, T, Wei, L.
登録日2014-03-01
公開日2015-01-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.942 Å)
主引用文献Regulating the coordination state of a heme protein by a designed distal hydrogen-bonding network.
ChemistryOpen, 4, 2015
5TOZ
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BU of 5toz by Molmil
JAK3 with covalent inhibitor PF-06651600
分子名称: 1-{(2S,5R)-2-methyl-5-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one, SULFATE ION, Tyrosine-protein kinase JAK3
著者Vajdos, F.F.
登録日2016-10-19
公開日2016-11-09
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Discovery of a JAK3-Selective Inhibitor: Functional Differentiation of JAK3-Selective Inhibition over pan-JAK or JAK1-Selective Inhibition.
ACS Chem. Biol., 11, 2016
7XPQ
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BU of 7xpq by Molmil
Crystal Structure of UDP-Glc/GlcNAc 4-Epimerase with NAD/UDP-GlcNAc
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UDP-glucose 4-epimerase, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
著者Chen, Y.H, Wang, X.C, Zhang, C.R.
登録日2022-05-05
公開日2023-05-17
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献A maize epimerase modulates cell wall synthesis and glycosylation during stomatal morphogenesis.
Nat Commun, 14, 2023
7XPO
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BU of 7xpo by Molmil
Crystal Structure of UDP-Glc/GlcNAc 4-Epimerase with NAD/UDP-Glc
分子名称: GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UDP-glucose 4-epimerase, ...
著者Chen, Y.H, Wang, X.C, Zhang, C.R.
登録日2022-05-05
公開日2023-05-17
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献A maize epimerase modulates cell wall synthesis and glycosylation during stomatal morphogenesis.
Nat Commun, 14, 2023
7XPP
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Crystal Structure of UDP-Glc/GlcNAc 4-Epimerase with NAD
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UDP-glucose 4-epimerase
著者Chen, Y.H, Wang, X.C, Zhang, C.R.
登録日2022-05-05
公開日2023-05-24
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A maize epimerase modulates cell wall synthesis and glycosylation during stomatal morphogenesis.
Nat Commun, 14, 2023
6OQ3
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Crystal Structure of the Ternary Complex of KRIT1 bound to both the Rap1 GTPase and HKi2
分子名称: 2-hydroxynaphthalene-1-carbaldehyde, Krev interaction trapped protein 1, MAGNESIUM ION, ...
著者Gingras, A.R.
登録日2019-04-25
公開日2020-06-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Inhibition of the HEG1-KRIT1 interaction increases KLF4 and KLF2 expression in endothelial cells
Faseb Bioadv, 2021
8IQF
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BU of 8iqf by Molmil
Cryo-EM structure of the dimeric human CAF1-H3-H4 complex
分子名称: Chromatin assembly factor 1 subunit A, Chromatin assembly factor 1 subunit B, Histone H3.1, ...
著者Liu, C.P, Yu, Z.Y, Xu, R.M.
登録日2023-03-16
公開日2023-08-16
最終更新日2023-09-06
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Structural insights into histone binding and nucleosome assembly by chromatin assembly factor-1.
Science, 381, 2023
8IQG
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BU of 8iqg by Molmil
Cryo-EM structure of the monomeric human CAF1-H3-H4 complex
分子名称: Chromatin assembly factor 1 subunit A, Chromatin assembly factor 1 subunit B, Histone H3.1, ...
著者Liu, C.P, Yu, Z.Y, Xu, R.M.
登録日2023-03-16
公開日2023-08-16
最終更新日2023-09-06
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural insights into histone binding and nucleosome assembly by chromatin assembly factor-1.
Science, 381, 2023
6OQ4
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BU of 6oq4 by Molmil
Crystal Structure of the Ternary Complex of KRIT1 bound to both the Rap1 GTPase and HKi1
分子名称: 2-{(Z)-[(2-hydroxynaphthalen-1-yl)methylidene]amino}-N-[(1S)-1-phenylethyl]benzamide, Krev interaction trapped protein 1, MAGNESIUM ION, ...
著者Gingras, A.R.
登録日2019-04-25
公開日2020-06-24
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.754 Å)
主引用文献Inhibition of the HEG1-KRIT1 interaction increases KLF4 and KLF2 expression in endothelial cells
Faseb Bioadv, 2021
4PQC
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BU of 4pqc by Molmil
A sperm whale myoglobin single mutant F43H Mb with native His93 coordination
分子名称: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
著者Ying-wu, L, Xiang-shi, T, Wei, L.
登録日2014-03-02
公開日2015-01-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.503 Å)
主引用文献Regulating the coordination state of a heme protein by a designed distal hydrogen-bonding network.
ChemistryOpen, 4, 2015
1P6B
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BU of 1p6b by Molmil
X-ray structure of phosphotriesterase, triple mutant H254G/H257W/L303T
分子名称: DIETHYL 4-METHYLBENZYLPHOSPHONATE, ETHYL DIHYDROGEN PHOSPHATE, Parathion hydrolase, ...
著者Hill, C.M, Li, W, Thoden, J.B, Holden, H.M, Raushel, F.M.
登録日2003-04-29
公開日2003-09-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Enhanced degradation of chemical warfare agents through molecular engineering of the phosphotriesterase active site.
J.Am.Chem.Soc., 125, 2003
8IG7
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BU of 8ig7 by Molmil
Crystal structure of SARS-Cov-2 main protease G15S mutant in complex with GC376
分子名称: 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
著者Zeng, P, Zhang, J, Li, J.
登録日2023-02-20
公開日2024-03-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024
8IG8
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BU of 8ig8 by Molmil
Crystal structure of SARS-Cov-2 main protease S46F mutant in complex with GC376
分子名称: 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
著者Zeng, X.Y, Zhang, J, Li, J.
登録日2023-02-20
公開日2024-03-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024
8IG5
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BU of 8ig5 by Molmil
Crystal structure of SARS main protease in complex with GC376
分子名称: 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
著者Lin, C, Zhang, J, Li, J.
登録日2023-02-20
公開日2024-03-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024
8IG4
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Crystal structure of SARS-Cov-2 main protease in complex with GC376
分子名称: Non-structural protein 11, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
著者Zhou, X.L, Zhang, J, Li, J.
登録日2023-02-20
公開日2024-03-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024
8IG9
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BU of 8ig9 by Molmil
Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with GC376
分子名称: 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
著者Zou, X.F, Zhang, J, Li, J.
登録日2023-02-20
公開日2024-03-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024
8IG6
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Crystal structure of MERS main protease in complex with GC376
分子名称: N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide, ORF1a
著者Lin, C, Zhang, J, Li, J.
登録日2023-02-20
公開日2024-03-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024
8IGA
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BU of 8iga by Molmil
Crystal structure of SARS-Cov-2 main protease K90R mutant in complex with GC376
分子名称: 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
著者Wang, J, Zhang, J, Li, J.
登録日2023-02-20
公開日2024-03-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024
6A40
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complex structure of Alginate lyase AlyF-OU02 with G4
分子名称: alginate lyase AlyF-OU02, alpha-L-gulopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid
著者Liu, W.Z, Lyu, Q.Q, Zhang, K.K.
登録日2018-06-18
公開日2019-05-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural insights into a novel Ca2+-independent PL-6 alginate lyase from Vibrio OU02 identify the possible subsites responsible for product distribution.
Biochim Biophys Acta Gen Subj, 1863, 2019
1P6C
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crystal structure of phosphotriesterase triple mutant H254G/H257W/L303T complexed with diisopropylmethylphosphonate
分子名称: DIETHYL 4-METHYLBENZYLPHOSPHONATE, METHYLPHOSPHONIC ACID DIISOPROPYL ESTER, Parathion hydrolase, ...
著者Hill, C.M, Li, W, Thoden, J.B, Holden, H.M, Raushel, F.M.
登録日2003-04-29
公開日2003-09-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Enhanced degradation of chemical warfare agents through molecular engineering of the phosphotriesterase active site.
J.Am.Chem.Soc., 125, 2003
7TEW
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BU of 7tew by Molmil
Cryo-EM structure of SARS-CoV-2 Delta (B.1.617.2) spike protein in complex with human ACE2 (focused refinement of RBD and ACE2)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein
著者Zhu, X, Saville, J.W, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Zhou, S, Tuttle, K.S, Subramaniam, S.
登録日2022-01-06
公開日2022-03-16
実験手法ELECTRON MICROSCOPY (3.52 Å)
主引用文献Structural and biochemical rationale for enhanced spike protein fitness in delta and kappa SARS-CoV-2 variants.
Nat Commun, 13, 2022
7TEZ
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BU of 7tez by Molmil
Cryo-EM structure of SARS-CoV-2 Kappa (B.1.617.1) spike protein in complex with human ACE2 (focused refinement of RBD and ACE2)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein
著者Zhu, X, Saville, J.W, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Zhou, S, Tuttle, K.S, Subramaniam, S.
登録日2022-01-06
公開日2022-03-16
実験手法ELECTRON MICROSCOPY (3.27 Å)
主引用文献Structural and biochemical rationale for enhanced spike protein fitness in delta and kappa SARS-CoV-2 variants.
Nat Commun, 13, 2022

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