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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)
Descriptor: 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, ...
Authors:Gao, G.F, Qi, J.X, Zhao, Z.N, Xie, Y.F, Liu, S.
Deposit date:2022-03-24
Release date:2022-08-31
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite: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)
Descriptor: 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, ...
Authors:Gao, G.F, Qi, J.X, Zhao, Z.N, Liu, S, Xie, Y.F.
Deposit date:2022-03-24
Release date:2022-08-31
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite: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)
Descriptor: 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, ...
Authors:Gao, G.F, Qi, J.X, Zhao, Z.N, Liu, S, Xie, Y.F.
Deposit date:2022-03-24
Release date:2022-08-31
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite: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
Descriptor: 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, ...
Authors:Gao, G.F, Qi, J.X, Zhao, Z.N, Liu, S, Xie, Y.F.
Deposit date:2022-03-24
Release date:2022-09-21
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite: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)
Descriptor: 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)
Authors:Yan, Y, Prasad, S.
Deposit date:2007-09-27
Release date:2008-01-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: Aldehyde dehydrogenase protein
Authors:Zhang, Z.L, Gao, C.
Deposit date:2023-04-01
Release date:2024-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.28 Å)
Cite: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
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Thioredoxin reductase 1
Authors:Zhang, Z.Y, Bao, R, Yu, J, Chen, Y.X, Zhou, C.-Z.
Deposit date:2008-05-26
Release date:2008-12-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: CALCIUM ION, GLYCEROL, Glucan 1,4-alpha-maltotetraohydrolase
Authors:Li, Z.F, Ban, X.F, Zhang, Z.Q, Li, C.M, Gu, Z.B, Jin, T.C, Li, Y.L, Shang, Y.H.
Deposit date:2018-12-05
Release date:2019-12-11
Last modified:2021-03-31
Method:X-RAY DIFFRACTION (1.501 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, ACARBOSE DERIVED HEPTASACCHARIDE, CALCIUM ION, ...
Authors:Li, Z.F, Ban, X.F, Zhang, Z.Q, Li, C.M, Gu, Z.B, Jin, T.C, Li, Y.L, Shang, Y.H.
Deposit date:2019-03-30
Release date:2020-04-01
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.101 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4 soluble form, MjHKU4r-CoV-1 spike RBD, ...
Authors:Zhao, Z.N, Chai, Y, Gao, F.
Deposit date:2023-09-28
Release date:2024-06-26
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (3.5 Å)
Cite: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
Descriptor: 5-amino-1-tert-butyl-3-(quinolin-2-yl)-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A.
Deposit date:2013-08-12
Release date:2013-10-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.998 Å)
Cite: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)
Descriptor: At3g11770
Authors:Li, P.
Deposit date:2017-03-14
Release date:2017-09-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.945 Å)
Cite: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
Descriptor: 5-amino-1-tert-butyl-3-(7-ethoxyquinolin-3-yl)-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A.
Deposit date:2014-01-28
Release date:2014-03-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: GITR ligand
Authors:Zhaocai, Z, Yukiko, T.
Deposit date:2007-06-11
Release date:2007-12-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite: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
Descriptor: ACETATE ION, NS2B cofactor, NS3 protease, ...
Authors:Zhang, Z.Z, Li, Y.
Deposit date:2016-10-31
Release date:2016-12-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.004 Å)
Cite: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
Descriptor: NS2B cofactor, NS3 protease
Authors:Phoo, W.W, Zhang, Z.Z.
Deposit date:2016-08-02
Release date:2016-12-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.578 Å)
Cite: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
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Heat shock cognate 71 kDa protein, MAGNESIUM ION, ...
Authors:Stec, B.
Deposit date:2012-09-18
Release date:2014-03-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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)
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, METHIONINE, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-05-14
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: CHLORIDE ION, GLYCEROL, Heat shock cognate 71 kDa protein, ...
Authors:Stec, B.
Deposit date:2012-09-18
Release date:2014-03-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.86 Å)
Cite: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
Descriptor: ACETATE ION, Heat shock cognate 71 kDa protein, MAGNESIUM ION, ...
Authors:Stec, B.
Deposit date:2012-09-19
Release date:2014-03-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.94 Å)
Cite: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
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Stec, B.
Deposit date:2012-09-18
Release date:2014-03-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite: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)
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, METHIONINE, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-05-14
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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)
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, METHIONINE, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-05-14
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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)
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, METHIONINE, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-05-14
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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)
Descriptor: DIMETHYL SULFOXIDE, METHIONINE, Methionyl-tRNA synthetase, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-05-14
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite: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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數據於2024-10-09公開中

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