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6ZFO
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BU of 6zfo by Molmil
Association of two complexes of largely structurally disordered Spike ectodomain with bound EY6A Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, EY6A heavy chain, EY6A light chain, ...
Authors:Duyvesteyn, H.M.E, Zhou, D, Zhao, Y, Fry, E.E, Ren, J, Stuart, D.I.
Deposit date:2020-06-17
Release date:2020-07-08
Last modified:2021-12-22
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Structural basis for the neutralization of SARS-CoV-2 by an antibody from a convalescent patient.
Nat.Struct.Mol.Biol., 27, 2020
6ZDY
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BU of 6zdy by Molmil
Crystal structure of WT murine S100A9 bound to calcium and zinc
Descriptor: CALCIUM ION, Protein S100-A9, SULFATE ION, ...
Authors:Yatime, L.
Deposit date:2020-06-15
Release date:2021-01-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Divalent cations influence the dimerization mode of murine S100A9 protein by modulating its disulfide bond pattern.
J.Struct.Biol., 213, 2020
6ZDG
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BU of 6zdg by Molmil
Association of three complexes of largely structurally disordered Spike ectodomain with bound EY6A Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, EY6A heavy chain, EY6A light chain, ...
Authors:Duyvesteyn, H.M.E, Zhou, D, Zhao, Y, Fry, E.E, Ren, J, Stuart, D.I.
Deposit date:2020-06-14
Release date:2020-07-29
Last modified:2021-12-22
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Structural basis for the neutralization of SARS-CoV-2 by an antibody from a convalescent patient.
Nat.Struct.Mol.Biol., 27, 2020
6ZER
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BU of 6zer by Molmil
Crystal structure of receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with EY6A Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, EY6A heavy chain, EY6A light chain, ...
Authors:Zhou, D, Zhao, Y, Fry, E.E, Ren, J, Stuart, D.I.
Deposit date:2020-06-16
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Structural basis for the neutralization of SARS-CoV-2 by an antibody from a convalescent patient.
Nat.Struct.Mol.Biol., 27, 2020
6ZCZ
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BU of 6zcz by Molmil
Crystal structure of receptor binding domain of SARS-CoV-2 Spike glycoprotein in ternary complex with EY6A Fab and a nanobody.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, EY6A heavy chain, ...
Authors:Zhou, D, Zhao, Y, Fry, E.E, Ren, J, Stuart, D.I.
Deposit date:2020-06-12
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural basis for the neutralization of SARS-CoV-2 by an antibody from a convalescent patient.
Nat.Struct.Mol.Biol., 27, 2020
5N2U
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BU of 5n2u by Molmil
Influenza D virus nucleoprotein
Descriptor: Nucleoprotein
Authors:Labaronne, A, Ruigrok, R.W.H, Crepin, T.
Deposit date:2017-02-08
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The structure of the nucleoprotein of Influenza D shows that all Orthomyxoviridae nucleoproteins have a similar NPCORE, with or without a NPTAILfor nuclear transport.
Sci Rep, 9, 2019
7JRE
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BU of 7jre by Molmil
Crystal structure of EV-D68 2A protease C107A mutant
Descriptor: Protease 2A, ZINC ION
Authors:Liu, C, Lee, M.-Y, Liu, W, Wang, J.
Deposit date:2020-08-12
Release date:2021-08-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of EV-D68 2A protease C107A mutant
To Be Published
7LYI
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BU of 7lyi by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAWJ9-36-3
Descriptor: 3C-like proteinase, GLYCEROL, SODIUM ION, ...
Authors:Sacco, M, Wang, J, Chen, Y.
Deposit date:2021-03-07
Release date:2021-03-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rational Design of Hybrid SARS-CoV-2 Main Protease Inhibitors Guided by the Superimposed Cocrystal Structures with the Peptidomimetic Inhibitors GC-376, Telaprevir, and Boceprevir.
Acs Pharmacol Transl Sci, 4, 2021
7LYH
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BU of 7lyh by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAWJ9-36-1
Descriptor: 3C-like proteinase, GLYCEROL, benzyl (1S,3aR,6aS)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate
Authors:Sacco, M, Wang, J, Chen, Y.
Deposit date:2021-03-07
Release date:2021-03-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rational Design of Hybrid SARS-CoV-2 Main Protease Inhibitors Guided by the Superimposed Cocrystal Structures with the Peptidomimetic Inhibitors GC-376, Telaprevir, and Boceprevir.
Acs Pharmacol Transl Sci, 4, 2021
7WUH
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BU of 7wuh by Molmil
SARS-CoV-2 Spike in complex with Fab of m31A7
Descriptor: 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)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Chen, X, Wu, Y.-M.
Deposit date:2022-02-08
Release date:2022-03-23
Last modified:2022-07-06
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Vaccination with SARS-CoV-2 spike protein lacking glycan shields elicits enhanced protective responses in animal models.
Sci Transl Med, 14, 2022
6QSS
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BU of 6qss by Molmil
Crystal Structure of Ignicoccus islandicus malate dehydrogenase co-crystallized with 10 mM Tb-Xo4
Descriptor: CHLORIDE ION, Malate dehydrogenase, TERBIUM(III) ION, ...
Authors:Roche, J, Girard, E, Madern, D.
Deposit date:2019-02-21
Release date:2019-07-17
Last modified:2024-01-24
Method:SOLUTION SCATTERING (1.892 Å), X-RAY DIFFRACTION
Cite:The archaeal LDH-like malate dehydrogenase from Ignicoccus islandicus displays dual substrate recognition, hidden allostery and a non-canonical tetrameric oligomeric organization.
J.Struct.Biol., 208, 2019
5VO2
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BU of 5vo2 by Molmil
DLK in complex with inhibitor 5-(1-isopropyl-5-(1-(oxetan-3-yl)piperidin-4-yl)-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyridin-2-amine (compound 7)
Descriptor: 5-{5-[1-(oxetan-3-yl)piperidin-4-yl]-1-(propan-2-yl)-1H-pyrazol-3-yl}-3-(trifluoromethyl)pyridin-2-amine, Mitogen-activated protein kinase kinase kinase 12
Authors:HARRIS, S.F, YIN, J.
Deposit date:2017-05-01
Release date:2017-10-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Selective Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12) with Activity in a Model of Alzheimer's Disease.
J. Med. Chem., 60, 2017
5VO1
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BU of 5vo1 by Molmil
DLK in complex with compound 10 (5-(1-isopropyl-5-(3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl)-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyridin-2-amine)
Descriptor: 5-{5-[(1R,5S,6r)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-(propan-2-yl)-1H-pyrazol-3-yl}-3-(trifluoromethyl)pyridin-2-amine, Mitogen-activated protein kinase kinase kinase 12
Authors:HARRIS, S.F, YIN, J.
Deposit date:2017-05-01
Release date:2017-10-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Selective Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12) with Activity in a Model of Alzheimer's Disease.
J. Med. Chem., 60, 2017
5ELQ
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BU of 5elq by Molmil
Crystal structure of the SNX27 PDZ domain bound to the C-terminal DGKzeta PDZ binding motif
Descriptor: GLU-ASP-GLN-GLU-THR-ALA-VAL, Sorting nexin-27, TETRAETHYLENE GLYCOL
Authors:Collins, B.M, Clairfeuille, T.
Deposit date:2015-11-05
Release date:2016-09-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:A molecular code for endosomal recycling of phosphorylated cargos by the SNX27-retromer complex.
Nat.Struct.Mol.Biol., 23, 2016
5EM9
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BU of 5em9 by Molmil
Crystal structure of the SNX27 PDZ domain bound to the phosphorylated C-terminal 5HT4(a)R PDZ binding motif
Descriptor: SEP-LEU-GLU-SER-CYS-PHE, Sorting nexin-27
Authors:Collins, B.M, Clairfeuille, T.
Deposit date:2015-11-06
Release date:2016-09-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A molecular code for endosomal recycling of phosphorylated cargos by the SNX27-retromer complex.
Nat.Struct.Mol.Biol., 23, 2016
5EMB
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BU of 5emb by Molmil
Crystal structure of the SNX27 PDZ domain bound to the C-terminal phosphorylated PTHR PDZ binding motif
Descriptor: GLU-GLU-TRP-SEP-THR-VAL-MET, Sorting nexin-27
Authors:Collins, B.M, Clairfeuille, T.
Deposit date:2015-11-06
Release date:2016-09-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:A molecular code for endosomal recycling of phosphorylated cargos by the SNX27-retromer complex.
Nat.Struct.Mol.Biol., 23, 2016
5EMA
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BU of 5ema by Molmil
Crystal structure of the SNX27 PDZ domain bound to the phosphorylated C-terminal LRRC3B PDZ binding motif
Descriptor: ASP-ASP-ILE-SEP-THR-VAL-VAL, GLYCEROL, Sorting nexin-27
Authors:Collins, B.M, Clairfeuille, T.
Deposit date:2015-11-06
Release date:2016-09-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:A molecular code for endosomal recycling of phosphorylated cargos by the SNX27-retromer complex.
Nat.Struct.Mol.Biol., 23, 2016
7WUE
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BU of 7wue by Molmil
Crystal structure of SARS-CoV-2 Receptor Binding Domain in complex with the monoclonal antibody m31A7
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, 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:Mohapatra, A.
Deposit date:2022-02-08
Release date:2022-03-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Vaccination with SARS-CoV-2 spike protein lacking glycan shields elicits enhanced protective responses in animal models.
Sci Transl Med, 14, 2022
5CIO
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BU of 5cio by Molmil
Crystal structure of PqqF
Descriptor: ZINC ION, pyrroloquinoline quinone biosynthesis protein PqqF
Authors:Wei, Q, Xu, D, Ran, T, Wang, W.
Deposit date:2015-07-13
Release date:2016-06-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure and Function of PqqF Protein in the Pyrroloquinoline Quinone Biosynthetic Pathway
J.Biol.Chem., 291, 2016
5CEO
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BU of 5ceo by Molmil
DLK in complex with inhibitor 2-((6-(3,3-difluoropyrrolidin-1-yl)-4-(1-(oxetan-3-yl)piperidin-4-yl)pyridin-2-yl)amino)isonicotinonitrile
Descriptor: 2-[[6-[3,3-bis(fluoranyl)pyrrolidin-1-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-yl]amino]pyridine-4-carbonitrile, Mitogen-activated protein kinase kinase kinase 12
Authors:HARRIS, S.F, YIN, J.
Deposit date:2015-07-07
Release date:2015-10-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Scaffold-Hopping and Structure-Based Discovery of Potent, Selective, And Brain Penetrant N-(1H-Pyrazol-3-yl)pyridin-2-amine Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12).
J.Med.Chem., 58, 2015
5CEN
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BU of 5cen by Molmil
Crystal structure of DLK (kinase domain)
Descriptor: Mitogen-activated protein kinase kinase kinase 12
Authors:HARRIS, S.F, YIN, J.
Deposit date:2015-07-07
Release date:2015-10-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Scaffold-Hopping and Structure-Based Discovery of Potent, Selective, And Brain Penetrant N-(1H-Pyrazol-3-yl)pyridin-2-amine Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12).
J.Med.Chem., 58, 2015
5CEP
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BU of 5cep by Molmil
DLK in complex with inhibitor N-(1-isopropyl-5-(piperidin-4-yl)-1H-pyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine
Descriptor: Mitogen-activated protein kinase kinase kinase 12, N-(5-piperidin-4-yl-1-propan-2-yl-pyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine
Authors:HARRIS, S.F, YIN, J.
Deposit date:2015-07-07
Release date:2015-10-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Scaffold-Hopping and Structure-Based Discovery of Potent, Selective, And Brain Penetrant N-(1H-Pyrazol-3-yl)pyridin-2-amine Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12).
J.Med.Chem., 58, 2015
5CEQ
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BU of 5ceq by Molmil
DLK in complex with inhibitor 2-((1-cyclopentyl-5-(1-(oxetan-3-yl)piperidin-4-yl)-1H-pyrazol-3-yl)amino)isonicotinonitrile
Descriptor: 2-[[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]amino]pyridine-4-carbonitrile, Mitogen-activated protein kinase kinase kinase 12
Authors:HARRIS, S.F, YIN, J.
Deposit date:2015-07-07
Release date:2015-10-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.911 Å)
Cite:Scaffold-Hopping and Structure-Based Discovery of Potent, Selective, And Brain Penetrant N-(1H-Pyrazol-3-yl)pyridin-2-amine Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12).
J.Med.Chem., 58, 2015
5E06
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BU of 5e06 by Molmil
Structure of Sin Nombre virus nucleoprotein in long-axis crystal form
Descriptor: Nucleocapsid protein
Authors:Guo, Y, Wang, W.M, Lou, Z.Y.
Deposit date:2015-09-28
Release date:2015-12-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.001 Å)
Cite:Crystal Structure of the Core Region of Hantavirus Nucleocapsid Protein Reveals the Mechanism for Ribonucleoprotein Complex Formation
J.Virol., 90, 2015
5E05
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BU of 5e05 by Molmil
Structure of Sin Nombre virus nucleoprotein in shot-axis crystal form
Descriptor: Nucleocapsid protein, PHOSPHATE ION
Authors:Guo, Y, Wang, W.M, Lou, Z.Y.
Deposit date:2015-09-28
Release date:2015-12-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of the Core Region of Hantavirus Nucleocapsid Protein Reveals the Mechanism for Ribonucleoprotein Complex Formation
J.Virol., 90, 2015

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