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7FAI
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BU of 7fai by Molmil
CARM1 bound with compound 9
Descriptor: Histone-arginine methyltransferase CARM1, N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]phenyl]methyl]-N-methyl-ethane-1,2-diamine
Authors:Cao, D.Y, Li, J, Xiong, B.
Deposit date:2021-07-06
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.09749269 Å)
Cite:Structure-Based Discovery of Potent CARM1 Inhibitors for Solid Tumor and Cancer Immunology Therapy.
J.Med.Chem., 64, 2021
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
6A4C
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BU of 6a4c by Molmil
Solution structure of MXAN_0049
Descriptor: Uncharacterized protein MXAN_0049
Authors:Chen, C, Feng, Y.
Deposit date:2018-06-19
Release date:2019-06-19
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structure of MXAN_0049
To Be Published
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:2023-11-22
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
2N5X
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BU of 2n5x by Molmil
C-terminal domain of Cdc37 cochaperone
Descriptor: Hsp90 co-chaperone Cdc37
Authors:Keramisanou, D, Dudhat, A, Pare, M.
Deposit date:2015-08-02
Release date:2015-10-07
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The C-terminal domain of human Cdc37 studied by solution NMR.
J.Biomol.Nmr, 63, 2015
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
6MES
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BU of 6mes by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (Chem 1907)
Descriptor: 1-[(1H-benzimidazol-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-1,3-dihydro-2H-imidazol-2-one, GLYCEROL, METHIONINE, ...
Authors:Barros-Alvarez, X, Hol, W.G.J.
Deposit date:2018-09-07
Release date:2019-09-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure-guided discovery of selective methionyl-tRNA synthetase inhibitors with potent activity against Trypanosoma brucei
Rsc Med Chem, 2020
5F5L
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BU of 5f5l by Molmil
The structure of monooxygenase KstA11 in the biosynthetic pathway of kosinostatin
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLYCEROL, Monooxygenase
Authors:Pan, L, Gong, Y.
Deposit date:2015-12-04
Release date:2016-12-21
Last modified:2017-03-01
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Hydroxyl regioisomerization of anthracycline catalyzed by a four-enzyme cascade
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5F5N
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BU of 5f5n by Molmil
The structure of monooxygenase KstA11 in complex with NAD and its substrate
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, MAGNESIUM ION, ...
Authors:Pan, L, Gong, Y.
Deposit date:2015-12-04
Release date:2016-12-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.304 Å)
Cite:Hydroxyl regioisomerization of anthracycline catalyzed by a four-enzyme cascade
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3Q8H
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BU of 3q8h by Molmil
Crystal structure of 2c-methyl-d-erythritol 2,4-cyclodiphosphate synthase from burkholderia pseudomallei in complex with cytidine derivative EBSI01028
Descriptor: 1,2-ETHANEDIOL, 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 5'-deoxy-5'-[(imidazo[2,1-b][1,3]thiazol-5-ylcarbonyl)amino]cytidine, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-01-06
Release date:2011-01-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Cytidine derivatives as IspF inhibitors of Burkolderia pseudomallei.
Bioorg.Med.Chem.Lett., 23, 2013
7VJL
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BU of 7vjl by Molmil
The crystal structure of FGFR4 kinase domain in complex with N-(5-cyano-4-((2-methoxyethyl)amino)pyridin-2-yl)-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxamide
Descriptor: Fibroblast growth factor receptor 4, N-[5-(aminomethyl)-4-(2-methoxyethylamino)pyridin-2-yl]-7-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
Authors:Zhang, Z.M, Wang, Y.J.
Deposit date:2021-09-28
Release date:2022-02-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.900173 Å)
Cite:Characterization of an aromatic trifluoromethyl ketone as a new warhead for covalently reversible kinase inhibitor design.
Bioorg.Med.Chem., 50, 2021
8J9N
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BU of 8j9n by Molmil
Gq bound FZD1 in ligand-free state
Descriptor: Frizzled-1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Lin, X, Xu, F.
Deposit date:2023-05-04
Release date:2024-01-17
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:A framework for Frizzled-G protein coupling and implications to the PCP signaling pathways.
Cell Discov, 10, 2024
8J9O
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BU of 8j9o by Molmil
Cryo-EM structure of inactive FZD1
Descriptor: Frizzled-1,Soluble cytochrome b562, anti-BRIL Fab Heavy Chain, anti-BRIL Fab Light Chain, ...
Authors:Lin, X, Xu, F.
Deposit date:2023-05-04
Release date:2024-01-17
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:A framework for Frizzled-G protein coupling and implications to the PCP signaling pathways.
Cell Discov, 10, 2024
4GEH
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BU of 4geh by Molmil
Crystal structure of MST4 dimerization domain complex with PDCD10
Descriptor: Programmed cell death protein 10, Serine/threonine-protein kinase MST4
Authors:Zhang, M, Shi, Z.B, Zhou, Z.C.
Deposit date:2012-08-02
Release date:2013-04-17
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural mechanism of CCM3 heterodimerization with GCKIII kinases
Structure, 21, 2013
4WG5
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BU of 4wg5 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1647
Descriptor: 5-amino-3-[7-(cyclobutyloxy)quinolin-3-yl]-1-cyclohexyl-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A.
Deposit date:2014-09-17
Release date:2014-10-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1647
to be published
4FZD
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BU of 4fzd by Molmil
Crystal structure of MST4-MO25 complex with WSF motif
Descriptor: C-terminal peptide from Serine/threonine-protein kinase MST4, Calcium-binding protein 39, GLYCEROL, ...
Authors:Shi, Z.B, Zhou, Z.C.
Deposit date:2012-07-06
Release date:2013-03-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Structure of the MST4 in Complex with MO25 Provides Insights into Its Activation Mechanism
Structure, 21, 2013
4WIV
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BU of 4wiv by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a novel inhibitor UMB32 (N-TERT-BUTYL-2-[4-(3,5-DIMETHYL-1,2-OXAZOL-4-YL) PHENYL]IMIDAZO[1,2-A]PYRAZIN-3-AMINE)
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, GLYCEROL, ...
Authors:Xu, X, Blacklow, S.
Deposit date:2014-09-26
Release date:2014-10-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Biased multicomponent reactions to develop novel bromodomain inhibitors.
J.Med.Chem., 57, 2014
4WG3
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BU of 4wg3 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1610
Descriptor: 3-(7-ethoxynaphthalen-2-yl)-1-(2-methylpropyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A.
Deposit date:2014-09-17
Release date:2014-10-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1610
to be published
6ZY3
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BU of 6zy3 by Molmil
Cryo-EM structure of MlaFEDB in complex with phospholipid
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ABC transporter maintaining OM lipid asymmetry, cytoplasmic STAS component, ...
Authors:Dong, C.J, Dong, H.H.
Deposit date:2020-07-30
Release date:2020-11-25
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural insights into outer membrane asymmetry maintenance in Gram-negative bacteria by MlaFEDB.
Nat.Struct.Mol.Biol., 28, 2021
6ZY2
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BU of 6zy2 by Molmil
Cryo-EM structure of apo MlaFEDB
Descriptor: ABC transporter maintaining OM lipid asymmetry, cytoplasmic STAS component, Toluene tolerance protein Ttg2A, ...
Authors:Dong, C.J, Dong, H.H.
Deposit date:2020-07-30
Release date:2020-11-25
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural insights into outer membrane asymmetry maintenance in Gram-negative bacteria by MlaFEDB.
Nat.Struct.Mol.Biol., 28, 2021
6ZY4
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BU of 6zy4 by Molmil
Cryo-EM structure of MlaFEDB in complex with ADP
Descriptor: ABC transporter maintaining OM lipid asymmetry, cytoplasmic STAS component, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Dong, C.J, Dong, H.H.
Deposit date:2020-07-30
Release date:2020-11-25
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structural insights into outer membrane asymmetry maintenance in Gram-negative bacteria by MlaFEDB.
Nat.Struct.Mol.Biol., 28, 2021
4PT1
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BU of 4pt1 by Molmil
Crystal structure of Locusta migratoria odorant binding proteins lmigOBP1
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, Odorant-binding protein 1d
Authors:Zheng, J, Li, J, Chen, Z.
Deposit date:2014-03-10
Release date:2014-12-31
Last modified:2015-10-21
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of the Locusta migratoria odorant binding protein.
Biochem.Biophys.Res.Commun., 456, 2015
1EFI
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BU of 1efi by Molmil
HEAT-LABILE ENTEROTOXIN B-PENTAMER COMPLEXED WITH PARA-AMINOPHENYL-ALPHA-D-GALACTOPYRANOSIDE
Descriptor: 4-aminophenyl alpha-D-galactopyranoside, PROTEIN (HEAT-LABILE ENTEROTOXIN B CHAIN)
Authors:Merritt, E.A, Hol, W.G.J.
Deposit date:2000-02-08
Release date:2000-02-23
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Exploration of the GM1 receptor-binding site of heat-labile enterotoxin and cholera toxin by phenyl-ring-containing galactose derivatives.
Acta Crystallogr.,Sect.D, 57, 2001
1EEF
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BU of 1eef by Molmil
HEAT-LABILE ENTEROTOXIN B-PENTAMER COMPLEXED WITH BOUND LIGAND PEPG
Descriptor: 2-PHENETHYL-2,3-DIHYDRO-PHTHALAZINE-1,4-DIONE, PROTEIN (HEAT-LABILE ENTEROTOXIN B CHAIN), alpha-D-galactopyranose
Authors:Merritt, E.A, Hol, W.G.J.
Deposit date:2000-01-31
Release date:2000-02-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Exploration of the GM1 receptor-binding site of heat-labile enterotoxin and cholera toxin by phenyl-ring-containing galactose derivatives.
Acta Crystallogr.,Sect.D, 57, 2001
1EEI
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BU of 1eei by Molmil
CHOLERA TOXIN B-PENTAMER COMPLEXED WITH METANITROPHENYL-ALPHA-D-GALACTOSE
Descriptor: 3-nitrophenyl alpha-D-galactopyranoside, PROTEIN (CHOLERA TOXIN B)
Authors:Merritt, E.A, Hol, W.G.J.
Deposit date:2000-01-31
Release date:2000-02-16
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Exploration of the GM1 receptor-binding site of heat-labile enterotoxin and cholera toxin by phenyl-ring-containing galactose derivatives.
Acta Crystallogr.,Sect.D, 57, 2001

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数据于2024-07-17公开中

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