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8FBO
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BU of 8fbo by Molmil
Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains
Descriptor: KWOCA_102
Authors:Wang, J.Y, Khmelinskaia, A, Bera, A.K, King, N.P.
Deposit date:2022-11-29
Release date:2023-03-22
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FBN
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BU of 8fbn by Molmil
Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains
Descriptor: KWOCA_73
Authors:Wang, J.Y, Khmelinskaia, A, Bera, A.K, King, N.P.
Deposit date:2022-11-29
Release date:2023-03-22
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FBJ
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BU of 8fbj by Molmil
Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains
Descriptor: KWOCA_60
Authors:Wang, J.Y, Khmelinskaia, A, Bera, A.K, King, N.P.
Deposit date:2022-11-29
Release date:2023-03-22
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FBI
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BU of 8fbi by Molmil
Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains
Descriptor: KWOCA_39
Authors:Wang, J.Y, Khmelinskaia, A, Bera, A.K, King, N.P.
Deposit date:2022-11-29
Release date:2023-03-22
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.61 Å)
Cite:Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FBK
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BU of 8fbk by Molmil
Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains
Descriptor: KWOCA_65
Authors:Wang, J.Y, Khmelinskaia, A, Bera, A.K, King, N.P.
Deposit date:2022-11-29
Release date:2023-03-22
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains.
Proc.Natl.Acad.Sci.USA, 120, 2023
5EBI
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BU of 5ebi by Molmil
Crystal structure of a DNA-RNA chimera in complex with Ba2+ ions: a case of unusual multi-domain twinning
Descriptor: BARIUM ION, DNA/RNA (5'-D(*C)-R(P*G)-D(P*C)-R(P*G)-D(P*C)-R(P*G)-3')
Authors:Gilski, M, Drozdzal, P, Kierzek, R, Jaskolski, M.
Deposit date:2015-10-19
Release date:2016-02-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Atomic resolution structure of a chimeric DNA-RNA Z-type duplex in complex with Ba(2+) ions: a case of complicated multi-domain twinning.
Acta Crystallogr D Struct Biol, 72, 2016
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
6TQL
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BU of 6tql by Molmil
Cryo-EM of elastase-treated human uromodulin (UMOD)/Tamm-Horsfall protein (THP) filament
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-mannopyranose-(1-6)]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-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Stsiapanava, A, Xu, C, Carroni, M, Wu, B, Jovine, L.
Deposit date:2019-12-16
Release date:2020-11-04
Last modified:2021-03-03
Method:ELECTRON MICROSCOPY (3.96 Å)
Cite:Cryo-EM structure of native human uromodulin, a zona pellucida module polymer.
Embo J., 39, 2020
3A9G
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BU of 3a9g by Molmil
Crystal Structure of PQQ-dependent sugar dehydrogenase apo-form
Descriptor: CALCIUM ION, Putative uncharacterized protein, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose
Authors:Sakuraba, H, Yokono, K, Yoneda, K, Ohshima, T.
Deposit date:2009-10-26
Release date:2010-09-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Catalytic properties and crystal structure of quinoprotein aldose sugar dehydrogenase from hyperthermophilic archaeon Pyrobaculum aerophilum
Arch.Biochem.Biophys., 502, 2010
6TQK
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BU of 6tqk by Molmil
Cryo-EM of native human uromodulin (UMOD)/Tamm-Horsfall protein (THP) filament.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Uromodulin, ...
Authors:Stsiapanava, A, Xu, C, Carroni, M, Wu, B, Jovine, L.
Deposit date:2019-12-16
Release date:2020-11-04
Last modified:2021-03-03
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:Cryo-EM structure of native human uromodulin, a zona pellucida module polymer.
Embo J., 39, 2020
3A9H
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BU of 3a9h by Molmil
Crystal Structure of PQQ-dependent sugar dehydrogenase holo-form
Descriptor: CALCIUM ION, PYRROLOQUINOLINE QUINONE, Putative uncharacterized protein, ...
Authors:Sakuraba, H, Yokono, K, Yoneda, K, Ohshima, T.
Deposit date:2009-10-26
Release date:2010-09-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Catalytic properties and crystal structure of quinoprotein aldose sugar dehydrogenase from hyperthermophilic archaeon Pyrobaculum aerophilum
Arch.Biochem.Biophys., 502, 2010
5DND
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BU of 5dnd by Molmil
Crystal structure of the Asn-bound guinea pig L-asparaginase 1 catalytic domain active site mutant T116A
Descriptor: 1,2-ETHANEDIOL, ASPARAGINE, L-asparaginase
Authors:Schalk, A.M, Lavie, A.
Deposit date:2015-09-09
Release date:2016-01-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Experimental Data in Support of a Direct Displacement Mechanism for Type I/II l-Asparaginases.
J.Biol.Chem., 291, 2016
5DNE
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BU of 5dne by Molmil
Crystal structure of the Asn-bound guinea pig L-asparaginase 1 catalytic domain active site mutant K188M
Descriptor: 1,2-ETHANEDIOL, ASPARAGINE, L-asparaginase
Authors:Schalk, A.M, Lavie, A.
Deposit date:2015-09-10
Release date:2016-01-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Experimental Data in Support of a Direct Displacement Mechanism for Type I/II l-Asparaginases.
J.Biol.Chem., 291, 2016
3G3E
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BU of 3g3e by Molmil
Crystal structure of human D-amino acid oxidase in complex with hydroxyquinolin-2(1H)
Descriptor: 3-hydroxyquinolin-2(1H)-one, D-amino-acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Duplantier, A, Liu, S.
Deposit date:2009-02-02
Release date:2009-06-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery, SAR, and pharmacokinetics of a novel 3-Hydroxyquinolin-2(1H)-one series of potent D-amino acid oxidase (DAAO) inhibitors
J.Med.Chem., 52, 2009
5B1M
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BU of 5b1m by Molmil
The mouse nucleosome structure containing H3.1
Descriptor: DNA (146-MER), Histone H2A type 1, Histone H2B type 3-A, ...
Authors:Urahama, T, Machida, S, Horikoshi, N, Osakabe, A, Tachiwana, H, Taguchi, H, Kurumizaka, H.
Deposit date:2015-12-08
Release date:2017-02-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Testis-Specific Histone Variant H3t Gene Is Essential for Entry into Spermatogenesis
Cell Rep, 18, 2017
5DNC
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BU of 5dnc by Molmil
Crystal structure of the Asn-bound guinea pig L-asparaginase 1 catalytic domain active site mutant T19A
Descriptor: 1,2-ETHANEDIOL, ASPARAGINE, L-asparaginase
Authors:Schalk, A.M, Lavie, A.
Deposit date:2015-09-09
Release date:2016-01-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Experimental Data in Support of a Direct Displacement Mechanism for Type I/II l-Asparaginases.
J.Biol.Chem., 291, 2016
6HHF
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BU of 6hhf by Molmil
Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor Borussertib
Descriptor: Borussertib, RAC-alpha serine/threonine-protein kinase
Authors:Landel, I, Weisner, J, Mueller, M.P, Scheinpflug, R, Rauh, D.
Deposit date:2018-08-28
Release date:2019-03-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Preclinical Efficacy of Covalent-Allosteric AKT Inhibitor Borussertib in Combination with Trametinib inKRAS-Mutant Pancreatic and Colorectal Cancer.
Cancer Res., 79, 2019
6V8E
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BU of 6v8e by Molmil
Computationally designed C3-symmetric homotrimer from TPR repeat protein
Descriptor: Designed protein
Authors:Sankaran, B, Ueda, G, Zwart, P.H, Baker, D.
Deposit date:2019-12-10
Release date:2020-08-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Tailored design of protein nanoparticle scaffolds for multivalent presentation of viral glycoprotein antigens.
Elife, 9, 2020
6VEH
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BU of 6veh by Molmil
Computationally designed C3-symmetric homotrimer from HEAT repeat protein
Descriptor: HEAT repeat domain-containing protein
Authors:Bick, M.J, Ueda, G, Baker, D.
Deposit date:2020-01-02
Release date:2020-08-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.303 Å)
Cite:Tailored design of protein nanoparticle scaffolds for multivalent presentation of viral glycoprotein antigens.
Elife, 9, 2020
5B1L
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BU of 5b1l by Molmil
The mouse nucleosome structure containing H3t
Descriptor: CHLORIDE ION, DNA (146-MER), Histone H2A type 1, ...
Authors:Urahama, T, Machida, S, Horikoshi, N, Osakabe, A, Tachiwana, H, Taguchi, H, Kurumizaka, H.
Deposit date:2015-12-08
Release date:2017-02-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Testis-Specific Histone Variant H3t Gene Is Essential for Entry into Spermatogenesis
Cell Rep, 18, 2017
5D5P
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BU of 5d5p by Molmil
HcgB from Methanococcus maripaludis
Descriptor: HcgB
Authors:Fujishiro, T, Ermler, U, Shima, S.
Deposit date:2015-08-11
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Towards artificial methanogenesis: biosynthesis of the [Fe]-hydrogenase cofactor and characterization of the semi-synthetic hydrogenase.
Faraday Discuss., 198, 2017
8DIC
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BU of 8dic by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
Descriptor: 3C-like proteinase nsp5, 5-bromo-3-[(3-bromo-4-chlorophenyl)methoxy]pyridine-2-carbaldehyde
Authors:Singh, I, Shoichet, B.K.
Deposit date:2022-06-29
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
8DIB
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BU of 8dib by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
Descriptor: 3C-like proteinase nsp5, 5-bromo-3-[(4-chloro-3-nitrophenyl)methoxy]pyridine-2-carbaldehyde
Authors:Singh, I, Shoichet, B.K.
Deposit date:2022-06-29
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
8DIG
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BU of 8dig by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
Descriptor: (3P)-1-[(4-fluorophenyl)methyl]-3-(isoquinolin-4-yl)imidazolidine-2,4-dione, 3C-like proteinase nsp5
Authors:Singh, I, Shoichet, B.K.
Deposit date:2022-06-29
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
8DIF
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BU of 8dif by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
Descriptor: 3C-like proteinase nsp5, 5-bromo-3-[(naphthalen-2-yl)methoxy]pyridine-2-carbaldehyde
Authors:Singh, I, Shoichet, B.K.
Deposit date:2022-06-29
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023

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