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3EFK
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BU of 3efk by Molmil
Structure of c-Met with pyrimidone inhibitor 50
Descriptor: 5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-2-[(4-fluorophenyl)amino]-3-methylpyrimidin-4(3H)-one, Hepatocyte growth factor receptor
Authors:Bellon, S.F, D'Angelo, N, Whittington, D, Dussault, I.
Deposit date:2008-09-09
Release date:2008-10-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Design, synthesis, and biological evaluation of potent c-Met inhibitors.
J.Med.Chem., 51, 2008
3EFJ
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BU of 3efj by Molmil
Structure of c-Met with pyrimidone inhibitor 7
Descriptor: 2-benzyl-5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-3-methylpyrimidin-4(3H)-one, Hepatocyte growth factor receptor
Authors:D'Angelo, N, Bellon, S, Whittington, D.
Deposit date:2008-09-09
Release date:2008-10-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Design, synthesis, and biological evaluation of potent c-Met inhibitors.
J.Med.Chem., 51, 2008
3GC8
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BU of 3gc8 by Molmil
The structure of p38beta C162S in complex with a dihydroquinazolinone
Descriptor: 5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-7-[1-(1-methylethyl)piperidin-4-yl]-3,4-dihydroquinazolin-2(1H)-one, Mitogen-activated protein kinase 11, NICKEL (II) ION, ...
Authors:Scapin, G, Patel, S.B.
Deposit date:2009-02-21
Release date:2009-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The three-dimensional structure of MAP kinase p38beta: different features of the ATP-binding site in p38beta compared with p38alpha.
Acta Crystallogr.,Sect.D, 65, 2009
3GC7
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BU of 3gc7 by Molmil
The structure of p38alpha in complex with a dihydroquinazolinone
Descriptor: 5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-7-[1-(1-methylethyl)piperidin-4-yl]-3,4-dihydroquinazolin-2(1H)-one, Mitogen-activated protein kinase 14
Authors:Scapin, G, Patel, S.B.
Deposit date:2009-02-21
Release date:2009-07-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The three-dimensional structure of MAP kinase p38beta: different features of the ATP-binding site in p38beta compared with p38alpha.
Acta Crystallogr.,Sect.D, 65, 2009
3U6J
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BU of 3u6j by Molmil
Crystal structure of the VEGFR2 kinase domain in complex with a pyrazolone inhibitor
Descriptor: N-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide, Vascular endothelial growth factor receptor 2
Authors:Whittington, D.A, Long, A, Rose, P, Gu, Y, Zhao, H.
Deposit date:2011-10-12
Release date:2012-02-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure-based design of novel class II c-Met inhibitors: 1. Identification of pyrazolone-based derivatives.
J.Med.Chem., 55, 2012
3TJC
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BU of 3tjc by Molmil
Co-crystal structure of jak2 with thienopyridine 8
Descriptor: 4-amino-N-methyl-2-[4-(morpholin-4-yl)phenyl]thieno[3,2-c]pyridine-7-carboxamide, Tyrosine-protein kinase JAK2
Authors:Huang, X.
Deposit date:2011-08-24
Release date:2011-11-30
Last modified:2011-12-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of potent and highly selective thienopyridine janus kinase 2 inhibitors.
J.Med.Chem., 54, 2011
5ILA
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BU of 5ila by Molmil
Deg9 protease domain
Descriptor: Protease Do-like 9
Authors:Ouyang, M, Liu, L, Li, X.Y, Zhao, S, Zhang, L.X.
Deposit date:2016-03-04
Release date:2017-03-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.001 Å)
Cite:The crystal structure of Deg9 reveals a novel octameric-type HtrA protease
Nat Plants, 3, 2017
5F66
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BU of 5f66 by Molmil
High-resolution isotropic multiconformer synchrotron model of CypA at 273 K
Descriptor: Peptidyl-prolyl cis-trans isomerase A
Authors:Fraser, J.S.
Deposit date:2015-12-05
Release date:2015-12-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Measuring and modeling diffuse scattering in protein X-ray crystallography.
Proc.Natl.Acad.Sci.USA, 113, 2016
5ILB
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BU of 5ilb by Molmil
Crystal structure of protease domain of Deg2 linked with the PDZ domain of Deg9
Descriptor: Protease Do-like 2, chloroplastic,Protease Do-like 9
Authors:Ouyang, M, Liu, L, Li, X.Y, Zhao, S, Zhang, L.X.
Deposit date:2016-03-04
Release date:2017-03-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.852 Å)
Cite:The crystal structure of Deg9 reveals a novel octameric-type HtrA protease
Nat Plants, 3, 2017
5F6M
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BU of 5f6m by Molmil
Isotropic Trypsin Model for Comparison of Diffuse Scattering
Descriptor: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
Authors:Van Benschoten, A.H, Wall, M.E, Fraser, J.S.
Deposit date:2015-12-06
Release date:2016-01-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Measuring and modeling diffuse scattering in protein X-ray crystallography.
Proc.Natl.Acad.Sci.USA, 113, 2016
8GPY
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BU of 8gpy by Molmil
Crystal structure of Omicron BA.4/5 RBD in complex with a neutralizing antibody scFv
Descriptor: Spike protein S1, scFv
Authors:Gao, Y.X, Song, Z.D, Wang, W.M, Guo, Y.
Deposit date:2022-08-27
Release date:2023-06-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
6LYW
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BU of 6lyw by Molmil
Structural insight into the biological functions of Arabidopsis thaliana ACHT1
Descriptor: GLYCEROL, SULFATE ION, Thioredoxin-like 2-1, ...
Authors:Wang, J.C, Pan, W.M, Wang, M.Z, Zhang, M.
Deposit date:2020-02-16
Release date:2020-05-13
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural insight into the biological functions of Arabidopsis thaliana ACHT1.
Int.J.Biol.Macromol., 158, 2020
6LYX
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BU of 6lyx by Molmil
Crystal structure of oxidized ACHT1
Descriptor: GLYCEROL, SULFATE ION, Thioredoxin-like 2-1, ...
Authors:Wang, J.C, Pan, W.M, Cai, W.G, Wang, M.Z, Zhang, M.
Deposit date:2020-02-16
Release date:2020-05-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.696 Å)
Cite:Structural insight into the biological functions of Arabidopsis thaliana ACHT1.
Int.J.Biol.Macromol., 158, 2020
8HL8
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BU of 8hl8 by Molmil
Crystal structrue of MtdL R257K mutant
Descriptor: MANGANESE (II) ION, Transglycosylse
Authors:Li, F.D, He, C.
Deposit date:2022-11-29
Release date:2023-03-29
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of the NDP-pyranose mutase belonging to glycosyltransferase family 75 reveal residues important for Mn 2+ coordination and substrate binding.
J.Biol.Chem., 299, 2023
6MJH
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BU of 6mjh by Molmil
The S31N mutant of the influenza A M2 proton channel in two distinct conformational states
Descriptor: CALCIUM ION, CHLORIDE ION, Matrix protein 2
Authors:Thomaston, J.L, DeGrado, W.F.
Deposit date:2018-09-20
Release date:2019-06-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:X-ray Crystal Structure of the Influenza A M2 Proton Channel S31N Mutant in Two Conformational States: An Open and Shut Case.
J.Am.Chem.Soc., 141, 2019
3V43
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BU of 3v43 by Molmil
Crystal structure of MOZ
Descriptor: ACETATE ION, Histone H3.1, Histone acetyltransferase KAT6A, ...
Authors:Qiu, Y, Li, F.
Deposit date:2011-12-14
Release date:2012-06-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Combinatorial readout of unmodified H3R2 and acetylated H3K14 by the tandem PHD finger of MOZ reveals a regulatory mechanism for HOXA9 transcription
Genes Dev., 26, 2012
6N5A
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BU of 6n5a by Molmil
Crystal structure of an equine H7 hemagglutinin from A/equine/NY/49/73 (H7N7)
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
Authors:Zhu, X, Wilson, I.A.
Deposit date:2018-11-21
Release date:2019-06-26
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:N-Glycolylneuraminic Acid as a Receptor for Influenza A Viruses.
Cell Rep, 27, 2019
6MWR
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BU of 6mwr by Molmil
Recognition of MHC-like molecule
Descriptor: 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, ...
Authors:Le Nours, J, Rossjohn, J.
Deposit date:2018-10-30
Release date:2019-12-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:A class of gamma delta T cell receptors recognize the underside of the antigen-presenting molecule MR1.
Science, 366, 2019
5IL9
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BU of 5il9 by Molmil
Crystal structure of Deg9
Descriptor: GLYCEROL, Protease Do-like 9
Authors:Ouyang, M, Liu, L, Li, X.Y, Zhao, S, Zhang, L.X.
Deposit date:2016-03-04
Release date:2017-03-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The crystal structure of Deg9 reveals a novel octameric-type HtrA protease
Nat Plants, 3, 2017
5HYX
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BU of 5hyx by Molmil
Plant peptide hormone receptor RGFR1 in complex with RGF1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PTR-SER-ASN-PRO-GLY-HIS-HIS-PRO-HYP-ARG-HIS-ASN, ...
Authors:Song, W, Han, Z, Chai, J.
Deposit date:2016-02-02
Release date:2017-01-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.596 Å)
Cite:Signature motif-guided identification of receptors for peptide hormones essential for root meristem growth
Cell Res., 26, 2016
6MQU
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BU of 6mqu by Molmil
PL5, synthetic transmembrane domain variant of human phospholamban
Descriptor: PL5, designed TM pentamer
Authors:Mravic, M, Thomaston, J.L, DeGrado, W.F.
Deposit date:2018-10-10
Release date:2019-04-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.17 Å)
Cite:Packing of apolar side chains enables accurate design of highly stable membrane proteins.
Science, 363, 2019
5GIX
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BU of 5gix by Molmil
Human serum albumin-Palmitic acid-Fe(Hn3piT)Cl2
Descriptor: 14-piperidin-1-yl-11-oxa-13$l^{3}-thia-15,16$l^{4}-diaza-12$l^{3}-ferratetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1(10),2(7),3,5,8,13,16-heptaene, PALMITIC ACID, Serum albumin
Authors:Yang, F, Qi, J, Wang, T.
Deposit date:2016-06-25
Release date:2017-07-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:Developing Anticancer Ferric Prodrugs Based on the N-Donor Residues of Human Serum Albumin Carrier IIA Subdomain
J. Med. Chem., 59, 2016
3U6I
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BU of 3u6i by Molmil
Crystal structure of c-Met in complex with pyrazolone inhibitor 58a
Descriptor: Hepatocyte growth factor receptor, N-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}-1-[(2R)-2-hydroxypropyl]-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide
Authors:Bellon, S.F, Whittington, D.A, Long, A.L.
Deposit date:2011-10-12
Release date:2012-02-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based design of novel class II c-Met inhibitors: 1. Identification of pyrazolone-based derivatives.
J.Med.Chem., 55, 2012
3U6H
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BU of 3u6h by Molmil
Crystal structure of c-Met in complex with pyrazolone inhibitor 26
Descriptor: Hepatocyte growth factor receptor, N-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide
Authors:Bellon, S.F, Whittington, D.A, Long, A.L.
Deposit date:2011-10-12
Release date:2012-02-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based design of novel class II c-Met inhibitors: 1. Identification of pyrazolone-based derivatives.
J.Med.Chem., 55, 2012
3TJD
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BU of 3tjd by Molmil
co-crystal structure of Jak2 with thienopyridine 19
Descriptor: 4-amino-2-[4-(tert-butylsulfamoyl)phenyl]-N-methylthieno[3,2-c]pyridine-7-carboxamide, Tyrosine-protein kinase JAK2
Authors:Huang, X.
Deposit date:2011-08-24
Release date:2011-11-30
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery of potent and highly selective thienopyridine janus kinase 2 inhibitors.
J.Med.Chem., 54, 2011

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