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7XCK
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BU of 7xck by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron RBD in complex with S309 fab (local refinement)
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, S309 heavy chain, S309 light chain, ...
著者Gao, G.F, Qi, J.X, Zhao, Z.N, Xie, Y.F, Liu, S.
登録日2022-03-24
公開日2022-08-31
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Omicron SARS-CoV-2 mutations stabilize spike up-RBD conformation and lead to a non-RBM-binding monoclonal antibody escape
Nat Commun, 13, 2022
7XCI
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BU of 7xci by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron RBD in complex with human ACE2 ectodomain (local refinement)
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Gao, G.F, Qi, J.X, Zhao, Z.N, Liu, S, Xie, Y.F.
登録日2022-03-24
公開日2022-08-31
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Omicron SARS-CoV-2 mutations stabilize spike up-RBD conformation and lead to a non-RBM-binding monoclonal antibody escape
Nat Commun, 13, 2022
7XCH
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BU of 7xch by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron spike protein (S-6P-RRAR) in complex with human ACE2 ectodomain (two-RBD-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Gao, G.F, Qi, J.X, Zhao, Z.N, Liu, S, Xie, Y.F.
登録日2022-03-24
公開日2022-08-31
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Omicron SARS-CoV-2 mutations stabilize spike up-RBD conformation and lead to a non-RBM-binding monoclonal antibody escape
Nat Commun, 13, 2022
7XCO
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BU of 7xco by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron spike protein (S-6P-RRAR) in complex with S309 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, S309 Fab heavy chain, ...
著者Gao, G.F, Qi, J.X, Zhao, Z.N, Liu, S, Xie, Y.F.
登録日2022-03-24
公開日2022-09-21
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Omicron SARS-CoV-2 mutations stabilize spike up-RBD conformation and lead to a non-RBM-binding monoclonal antibody escape
Nat Commun, 13, 2022
2RF2
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BU of 2rf2 by Molmil
HIV reverse transcriptase in complex with inhibitor 7e (NNRTI)
分子名称: 5-bromo-3-(pyrrolidin-1-ylsulfonyl)-1H-indole-2-carboxamide, Reverse transcriptase/ribonuclease H (EC 2.7.7.49) (EC 2.7.7.7) (EC 3.1.26.4) (p66 RT)
著者Yan, Y, Prasad, S.
登録日2007-09-27
公開日2008-01-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Novel indole-3-sulfonamides as potent HIV non-nucleoside reverse transcriptase inhibitors (NNRTIs).
Bioorg.Med.Chem.Lett., 18, 2008
8IXI
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BU of 8ixi by Molmil
Crystal structure of aldehyde dehydrogenase (EC 1.2.1.3) Klebsiella pneumoniae
分子名称: Aldehyde dehydrogenase protein
著者Zhang, Z.L, Gao, C.
登録日2023-04-01
公開日2024-01-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Systems engineering of Escherichia coli for high-level glutarate production from glucose.
Nat Commun, 15, 2024
3D8X
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BU of 3d8x by Molmil
Crystal Structure of Saccharomyces cerevisiae NDPPH Dependent Thioredoxin Reductase 1
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Thioredoxin reductase 1
著者Zhang, Z.Y, Bao, R, Yu, J, Chen, Y.X, Zhou, C.-Z.
登録日2008-05-26
公開日2008-12-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of Saccharomyces cerevisiae cytoplasmic thioredoxin reductase Trr1 reveals the structural basis for species-specific recognition of thioredoxin
Biochim.Biophys.Acta, 1794, 2009
6IWK
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BU of 6iwk by Molmil
The Structure of Maltooligosaccharide-forming Amylase from Pseudomonas saccharophila STB07
分子名称: CALCIUM ION, GLYCEROL, Glucan 1,4-alpha-maltotetraohydrolase
著者Li, Z.F, Ban, X.F, Zhang, Z.Q, Li, C.M, Gu, Z.B, Jin, T.C, Li, Y.L, Shang, Y.H.
登録日2018-12-05
公開日2019-12-11
最終更新日2021-03-31
実験手法X-RAY DIFFRACTION (1.501 Å)
主引用文献Structure of maltotetraose-forming amylase from Pseudomonas saccharophila STB07 provides insights into its product specificity.
Int.J.Biol.Macromol., 154, 2020
6JQB
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BU of 6jqb by Molmil
The structure of maltooligosaccharide-forming amylase from Pseudomonas saccharophila STB07 with pseudo-maltoheptaose
分子名称: 1,2-ETHANEDIOL, ACARBOSE DERIVED HEPTASACCHARIDE, CALCIUM ION, ...
著者Li, Z.F, Ban, X.F, Zhang, Z.Q, Li, C.M, Gu, Z.B, Jin, T.C, Li, Y.L, Shang, Y.H.
登録日2019-03-30
公開日2020-04-01
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.101 Å)
主引用文献Structure of maltotetraose-forming amylase from Pseudomonas saccharophila STB07 provides insights into its product specificity.
Int.J.Biol.Macromol., 154, 2020
8WKU
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BU of 8wku by Molmil
Complex structure of MjHKU4r-CoV-1 spike RBD bound to human CD26
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4 soluble form, MjHKU4r-CoV-1 spike RBD, ...
著者Zhao, Z.N, Chai, Y, Gao, F.
登録日2023-09-28
公開日2024-06-26
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Molecular basis for receptor recognition and broad host tropism for merbecovirus MjHKU4r-CoV-1.
Embo Rep., 25, 2024
4M84
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BU of 4m84 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1455
分子名称: 5-amino-1-tert-butyl-3-(quinolin-2-yl)-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
著者Merritt, E.A.
登録日2013-08-12
公開日2013-10-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.998 Å)
主引用文献Potent and selective inhibitors of CDPK1 from T. gondii and C. parvum based on a 5-aminopyrazole-4-carboxamide scaffold.
ACS Med Chem Lett, 5, 2014
5V5F
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BU of 5v5f by Molmil
Crystal structure of RICE1 (PNT2)
分子名称: At3g11770
著者Li, P.
登録日2017-03-14
公開日2017-09-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.945 Å)
主引用文献RISC-interacting clearing 3'- 5' exoribonucleases (RICEs) degrade uridylated cleavage fragments to maintain functional RISC in Arabidopsis thaliana.
Elife, 6, 2017
4ONA
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BU of 4ona by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1517
分子名称: 5-amino-1-tert-butyl-3-(7-ethoxyquinolin-3-yl)-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
著者Merritt, E.A.
登録日2014-01-28
公開日2014-03-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Potent and selective inhibitors of CDPK1 from T. gondii and C. parvum based on a 5-aminopyrazole-4-carboxamide scaffold.
ACS Med Chem Lett, 5, 2014
2Q8O
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BU of 2q8o by Molmil
crystal structure of mouse GITR ligand dimer
分子名称: GITR ligand
著者Zhaocai, Z, Yukiko, T.
登録日2007-06-11
公開日2007-12-25
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural basis for ligand-mediated mouse GITR activation.
Proc.Natl.Acad.Sci.Usa, 105, 2008
5H4I
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BU of 5h4i by Molmil
Unlinked NS2B-NS3 Protease from Zika Virus in complex with a compound fragment
分子名称: ACETATE ION, NS2B cofactor, NS3 protease, ...
著者Zhang, Z.Z, Li, Y.
登録日2016-10-31
公開日2016-12-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.004 Å)
主引用文献Crystal structure of unlinked NS2B-NS3 protease from Zika virus
Science, 354, 2016
5GPI
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BU of 5gpi by Molmil
Crystal Structures of Unlinked NS2B-NS3 Protease from Zika Virus and Its Complex with a Reverse Peptide Inhibitor
分子名称: NS2B cofactor, NS3 protease
著者Phoo, W.W, Zhang, Z.Z.
登録日2016-08-02
公開日2016-12-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.578 Å)
主引用文献Crystal structure of unlinked NS2B-NS3 protease from Zika virus
Science, 354, 2016
4H5T
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BU of 4h5t by Molmil
HSC70 NBD with ADP and Mg
分子名称: ADENOSINE-5'-DIPHOSPHATE, Heat shock cognate 71 kDa protein, MAGNESIUM ION, ...
著者Stec, B.
登録日2012-09-18
公開日2014-03-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献New crystal structures of HSC-70 ATP binding domain confirm the role of individual binding pockets and suggest a new method of inhibition.
Biochimie, 108, 2015
4ZT2
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BU of 4zt2 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor N-(3,5-dichlorobenzyl)-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine (Chem 1575)
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, METHIONINE, ...
著者Koh, C.-Y, Hol, W.G.J.
登録日2015-05-14
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献5-Fluoroimidazo[4,5-b]pyridine Is a Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-tRNA Synthetase Inhibitors.
Acs Infect Dis., 2, 2016
4H5N
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BU of 4h5n by Molmil
HSC70 NBD with PO4, Na, Cl
分子名称: CHLORIDE ION, GLYCEROL, Heat shock cognate 71 kDa protein, ...
著者Stec, B.
登録日2012-09-18
公開日2014-03-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献New crystal structures of HSC-70 ATP binding domain confirm the role of individual binding pockets and suggest a new method of inhibition.
Biochimie, 108, 2015
4H5W
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BU of 4h5w by Molmil
HSC70 NBD with betaine
分子名称: ACETATE ION, Heat shock cognate 71 kDa protein, MAGNESIUM ION, ...
著者Stec, B.
登録日2012-09-19
公開日2014-03-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献New crystal structures of HSC-70 ATP binding domain confirm the role of individual binding pockets and suggest a new method of inhibition.
Biochimie, 108, 2015
4H5V
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BU of 4h5v by Molmil
HSC70 NBD with Mg
分子名称: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
著者Stec, B.
登録日2012-09-18
公開日2014-03-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献New crystal structures of HSC-70 ATP binding domain confirm the role of individual binding pockets and suggest a new method of inhibition.
Biochimie, 108, 2015
4ZT7
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BU of 4zt7 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor N-[(4R)-6,8-dichloro-1,2,3,4-tetrahydroquinolin-4-yl]-N'-(5-fluoro-3H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine (Chem 1717)
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, METHIONINE, ...
著者Koh, C.-Y, Hol, W.G.J.
登録日2015-05-14
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献5-Fluoroimidazo[4,5-b]pyridine Is a Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-tRNA Synthetase Inhibitors.
Acs Infect Dis., 2, 2016
4ZT3
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BU of 4zt3 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor N-(3,5-dichlorobenzyl)-N'-(5-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine (Chem 1614)
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, METHIONINE, ...
著者Koh, C.-Y, Hol, W.G.J.
登録日2015-05-14
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献5-Fluoroimidazo[4,5-b]pyridine Is a Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-tRNA Synthetase Inhibitors.
Acs Infect Dis., 2, 2016
4ZT4
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BU of 4zt4 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitorN-(3,5-dichlorobenzyl)-2,2-difluoro-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine (Chem 1708)
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, METHIONINE, ...
著者Koh, C.-Y, Hol, W.G.J.
登録日2015-05-14
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献5-Fluoroimidazo[4,5-b]pyridine Is a Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-tRNA Synthetase Inhibitors.
Acs Infect Dis., 2, 2016
4ZT6
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BU of 4zt6 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor N-[(4R)-6,8-dichloro-3,4-dihydro-2H-chromen-4-yl]-N'-(5-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine (Chem 1709)
分子名称: DIMETHYL SULFOXIDE, METHIONINE, Methionyl-tRNA synthetase, ...
著者Koh, C.-Y, Hol, W.G.J.
登録日2015-05-14
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献5-Fluoroimidazo[4,5-b]pyridine Is a Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-tRNA Synthetase Inhibitors.
Acs Infect Dis., 2, 2016

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