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7QDF
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BU of 7qdf by Molmil
Hexameric HIV-1 (M-group) CA R120 mutant
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, Gag polyprotein, ...
Authors:Govasli, M.A.L, Pinotsis, N, McAlpine-Scott, S.
Deposit date:2021-11-26
Release date:2022-10-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.304 Å)
Cite:Evasion of cGAS and TRIM5 defines pandemic HIV.
Nat Microbiol, 7, 2022
4PP9
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BU of 4pp9 by Molmil
ITK kinase domain with compound 1 (N-[1-(3-CYANOBENZYL)-1H-PYRAZOL-4-YL]-2H-INDAZOLE-3-CARBOXAMIDE)
Descriptor: N-[1-(3-cyanobenzyl)-1H-pyrazol-4-yl]-2H-indazole-3-carboxamide, SULFATE ION, Tyrosine-protein kinase ITK/TSK
Authors:Eigenbrot, C, Shia, S.
Deposit date:2014-02-26
Release date:2014-06-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Discovery and optimization of indazoles as potent and selective interleukin-2 inducible T cell kinase (ITK) inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4QKO
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BU of 4qko by Molmil
The Crystal Structure of the Pyocin S2 Nuclease Domain, Immunity Protein Complex at 1.8 Angstroms
Descriptor: BROMIDE ION, MAGNESIUM ION, Pyocin-S2, ...
Authors:Grinter, R, Josts, I, Roszak, A.W, Cogdell, C.J, Walker, D.
Deposit date:2014-06-07
Release date:2015-06-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Insights into pyocin S2
To be Published
6B9J
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BU of 6b9j by Molmil
Structure of vaccinia virus D8 protein bound to human Fab vv138
Descriptor: Fab vv138 Heavy chain, Fab vv138 Light chain, GLYCEROL, ...
Authors:Zajonc, D.M.
Deposit date:2017-10-10
Release date:2017-11-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure-function characterization of three human antibodies targeting the vaccinia virus adhesion molecule D8.
J. Biol. Chem., 293, 2018
4RHP
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BU of 4rhp by Molmil
Crystal structure of human COQ9 in complex with a phospholipid, Northeast Structural Genomics Consortium Target HR5043
Descriptor: DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, Ubiquinone biosynthesis protein COQ9, mitochondrial
Authors:Forouhar, F, Lew, S, Seetharaman, J, Wang, H, Lee, D, Kogan, S, Maglaqui, M, Xiao, R, Everett, J.K, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG), Mitochondrial Protein Partnership (MPP)
Deposit date:2014-10-02
Release date:2014-10-22
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (2.393 Å)
Cite:Mitochondrial COQ9 is a lipid-binding protein that associates with COQ7 to enable coenzyme Q biosynthesis.
Proc.Natl.Acad.Sci.USA, 111, 2014
6C98
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BU of 6c98 by Molmil
Crystal structure of FcRn bound to UCB-84
Descriptor: 1-[7-(3-fluorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethan-1-one, Beta-2-microglobulin, CYSTEINE, ...
Authors:Fox III, D, Lukacs, C.M.
Deposit date:2018-01-25
Release date:2018-05-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Insight into small molecule binding to the neonatal Fc receptor by X-ray crystallography and 100 kHz magic-angle-spinning NMR.
PLoS Biol., 16, 2018
6C71
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BU of 6c71 by Molmil
Nicotine Oxidoreductase in Complex with S-nicotine
Descriptor: (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Tararina, M.A, Allen, K.N.
Deposit date:2018-01-19
Release date:2018-07-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.649 Å)
Cite:Crystallography Coupled with Kinetic Analysis Provides Mechanistic Underpinnings of a Nicotine-Degrading Enzyme.
Biochemistry, 57, 2018
6C99
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BU of 6c99 by Molmil
Crystal structure of FcRn bound to UCB-303
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, CITRIC ACID, ...
Authors:Fox III, D, Abendroth, J, Porter, J, Deboves, H.
Deposit date:2018-01-25
Release date:2018-05-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Insight into small molecule binding to the neonatal Fc receptor by X-ray crystallography and 100 kHz magic-angle-spinning NMR.
PLoS Biol., 16, 2018
6C97
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BU of 6c97 by Molmil
Crystal structure of FcRn at pH3
Descriptor: Beta-2-microglobulin, GLYCEROL, IgG receptor FcRn large subunit p51
Authors:Fox III, D, Fairman, J.W.
Deposit date:2018-01-25
Release date:2018-05-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Insight into small molecule binding to the neonatal Fc receptor by X-ray crystallography and 100 kHz magic-angle-spinning NMR.
PLoS Biol., 16, 2018
6BZ4
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BU of 6bz4 by Molmil
Human IgG1 lacking complement-dependent cytotoxicity: hu3S193 Fc mutant K322A
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Farrugia, W, Burvenich, I.G.J, Scott, A.M, Ramsland, P.A.
Deposit date:2017-12-22
Release date:2018-06-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Global conformational changes in IgG-Fc upon mutation of the FcRn-binding site are not associated with altered antibody-dependent effector functions.
Biochem. J., 475, 2018
4P27
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BU of 4p27 by Molmil
Structure of Schistosoma mansoni venom allergen-like protein 4 (SmVAL4)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Venom allergen-like (VAL) 4 protein
Authors:Asojo, O.A.
Deposit date:2014-03-02
Release date:2014-08-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Schistosoma mansoni venom allergen-like protein 4 (SmVAL4) is a novel lipid-binding SCP/TAPS protein that lacks the prototypical CAP motifs.
Acta Crystallogr.,Sect.D, 70, 2014
6C2T
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BU of 6c2t by Molmil
Aurora A ligand complex
Descriptor: (2S,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-4-({3-[(1,3-thiazol-2-yl)amino]isoquinolin-1-yl}methyl)piperidine-4-carboxylic acid, Aurora kinase A, DIMETHYL SULFOXIDE, ...
Authors:Antonysamy, S, Pustilnik, A, Manglicmot, D, Froning, K, Weichert, K, Wasserman, S.
Deposit date:2018-01-08
Release date:2019-01-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Aurora A Kinase Inhibition Is Synthetic Lethal with Loss of theRB1Tumor Suppressor Gene.
Cancer Discov, 9, 2019
6C2R
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BU of 6c2r by Molmil
Aurora A ligand complex
Descriptor: (2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-4-({3-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridin-2-yl}methyl)-2-methylpiperidine-4-carboxylic acid, Aurora kinase A, SULFATE ION
Authors:Antonysamy, S, Pustilnik, A, Manglicmot, D, Froning, K, Weichert, K, Wasserman, S.
Deposit date:2018-01-08
Release date:2019-01-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Aurora A Kinase Inhibition Is Synthetic Lethal with Loss of theRB1Tumor Suppressor Gene.
Cancer Discov, 9, 2019
4RSV
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BU of 4rsv by Molmil
Human Obscurin Ig58 Domain
Descriptor: Obscurin
Authors:Wright, N.T, Oehler, M.C, Berndsen, C.E, Du Pont, K.E.
Deposit date:2014-11-11
Release date:2016-02-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Arrhythmia and deregulated Ca2+ cycling underlie the development of hypertrophic cardiomyopathy due to mutant giant obscurin
To be Published
6CXY
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BU of 6cxy by Molmil
Crystal Structure of Human E-cadherin bound by mouse monoclonal antibody Fab mAb-1_19A11
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Cadherin-1, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-04-04
Release date:2019-04-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of Human E-cadherin bound by mouse monoclonal antibody Fab mAb-1_19A11
to be published
4PPB
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BU of 4ppb by Molmil
ITK kinase domain with compound 28 (N-{1-[(1S)-3-(DIMETHYLAMINO)-1-PHENYLPROPYL]-1H-PYRAZOL-4-YL}-6-(1H-PYRAZOL-4-YL)-1H-INDAZOLE-3-CARBOXAMIDE)
Descriptor: N-{1-[(1S)-3-(dimethylamino)-1-phenylpropyl]-1H-pyrazol-4-yl}-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
Authors:Eigenbrot, C, Shia, S.
Deposit date:2014-02-26
Release date:2014-06-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Discovery and optimization of indazoles as potent and selective interleukin-2 inducible T cell kinase (ITK) inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4PPC
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BU of 4ppc by Molmil
ITK kinase domain with compound 27 (N-{1-[(1R)-3-(DIMETHYLAMINO)-1-PHENYLPROPYL]-1H-PYRAZOL-4-YL}-6-(1H-PYRAZOL-4-YL)-1H-INDAZOLE-3-CARBOXAMIDE)
Descriptor: N-{1-[(1R)-3-(dimethylamino)-1-phenylpropyl]-1H-pyrazol-4-yl}-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
Authors:Eigenbrot, C, Shia, S.
Deposit date:2014-02-26
Release date:2014-06-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Discovery and optimization of indazoles as potent and selective interleukin-2 inducible T cell kinase (ITK) inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4PPA
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BU of 4ppa by Molmil
ITK kinase domain with compound 11 (N-[1-(3-CYANOBENZYL)-1H-PYRAZOL-4-YL]-6-(1H-PYRAZOL-4-YL)-1H-INDAZOLE-3-CARBOXAMIDE)
Descriptor: N-[1-(3-cyanobenzyl)-1H-pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
Authors:Eigenbrot, C, Shia, S.
Deposit date:2014-02-26
Release date:2014-06-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Discovery and optimization of indazoles as potent and selective interleukin-2 inducible T cell kinase (ITK) inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4TTV
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BU of 4ttv by Molmil
Crystal structure of human ThrRS complexing with a bioengineered macrolide BC194
Descriptor: (1R,2R)-2-[(2S,6E,8R,9S,11R,13S,15S,16S)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadec-6-en-2-yl]cyclobutanecarboxylic acid, Threonine--tRNA ligase, cytoplasmic, ...
Authors:Fang, P, Guo, M.
Deposit date:2014-06-23
Release date:2015-09-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Aminoacyl-tRNA synthetase dependent angiogenesis revealed by a bioengineered macrolide inhibitor.
Sci Rep, 5, 2015
8CL1
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BU of 8cl1 by Molmil
HIV-1 mature capsid hexamer from CA-IP6 CLPs, bound to CPSF6 peptide.
Descriptor: Cleavage and polyadenylation specificity factor subunit 6, Gag polyprotein
Authors:Stacey, J.C.V, Briggs, J.A.G.
Deposit date:2023-02-16
Release date:2023-04-26
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:Two structural switches in HIV-1 capsid regulate capsid curvature and host factor binding.
Proc.Natl.Acad.Sci.USA, 120, 2023
8CKZ
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BU of 8ckz by Molmil
HIV-1 mature capsid pentamer from CA-IP6 CLPs bound to Nup153 peptide
Descriptor: Gag polyprotein
Authors:Stacey, J.C.V, Briggs, J.A.G.
Deposit date:2023-02-16
Release date:2023-04-26
Method:ELECTRON MICROSCOPY (3.07 Å)
Cite:Two structural switches in HIV-1 capsid regulate capsid curvature and host factor binding.
Proc.Natl.Acad.Sci.USA, 120, 2023
8CKX
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BU of 8ckx by Molmil
HIV-1 mature capsid hexamer next to pentamer (type I) from CA-IP6 CLPs
Descriptor: Gag polyprotein
Authors:Stacey, J.C.V, Briggs, J.A.G.
Deposit date:2023-02-16
Release date:2023-04-26
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Two structural switches in HIV-1 capsid regulate capsid curvature and host factor binding.
Proc.Natl.Acad.Sci.USA, 120, 2023
8CKY
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BU of 8cky by Molmil
HIV-1 mature capsid hexamer from CA-IP6 CLPs, bound to Nup153 peptide
Descriptor: Gag polyprotein, Nuclear pore complex protein Nup153
Authors:Stacey, J.C.V, Briggs, J.A.G.
Deposit date:2023-02-16
Release date:2023-04-26
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Two structural switches in HIV-1 capsid regulate capsid curvature and host factor binding.
Proc.Natl.Acad.Sci.USA, 120, 2023
8CKV
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BU of 8ckv by Molmil
HIV-1 mature capsid hexamer from CA-IP6 CLPs
Descriptor: Gag polyprotein
Authors:Stacey, J.C.V, Briggs, J.A.G.
Deposit date:2023-02-16
Release date:2023-04-26
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Two structural switches in HIV-1 capsid regulate capsid curvature and host factor binding.
Proc.Natl.Acad.Sci.USA, 120, 2023
8CL3
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BU of 8cl3 by Molmil
HIV-1 mature capsid hexamer from CA-IP6 CLPs, bound to Sec24C peptide.
Descriptor: Gag polyprotein, Protein transport protein Sec24C
Authors:Stacey, J.C.V, Briggs, J.A.G.
Deposit date:2023-02-16
Release date:2023-04-26
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:Two structural switches in HIV-1 capsid regulate capsid curvature and host factor binding.
Proc.Natl.Acad.Sci.USA, 120, 2023

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数据于2024-07-10公开中

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