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6P6K
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BU of 6p6k by Molmil
Co-crystal Structure of human SMYD3 with Isoxazole Amides Inhibitors
Descriptor: 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SMYD3, MAGNESIUM ION, ...
Authors:Elkins, P.A, Wang, L.
Deposit date:2019-06-04
Release date:2020-01-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery of Isoxazole Amides as Potent and Selective SMYD3 Inhibitors.
Acs Med.Chem.Lett., 11, 2020
7XOE
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BU of 7xoe by Molmil
Cryo-EM structure of S glycoprotein encoded by the Covid-19 mRNA vaccine candidate RQ3013 (Prefusion state)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,peptide
Authors:Wu, Z, Yu, Z, Tan, S, Lu, J, Lu, G, Lin, J.
Deposit date:2022-05-01
Release date:2024-02-14
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Preclinical evaluation of RQ3013, a broad-spectrum mRNA vaccine against SARS-CoV-2 variants.
Sci Bull (Beijing), 68, 2023
7XOG
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BU of 7xog by Molmil
Cryo-EM structure of S glycoprotein encoded by the Covid-19 mRNA vaccine candidate RQ3013 (Postfusion state)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,peptide, ...
Authors:Wu, Z, Yu, Z, Tan, S, Lu, J, Lu, G, Lin, J.
Deposit date:2022-05-01
Release date:2024-03-20
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Preclinical evaluation of RQ3013, a broad-spectrum mRNA vaccine against SARS-CoV-2 variants.
Sci Bull (Beijing), 68, 2023
6P7Z
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BU of 6p7z by Molmil
Co-crystal Structure of human SMYD3 with Isoxazole Amides Inhibitors
Descriptor: 5-cyclopropyl-N-[1-(methylsulfonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide, Histone-lysine N-methyltransferase SMYD3, MAGNESIUM ION, ...
Authors:Elkins, P.A, Bonnette, W.G.
Deposit date:2019-06-06
Release date:2020-01-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Discovery of Isoxazole Amides as Potent and Selective SMYD3 Inhibitors.
Acs Med.Chem.Lett., 11, 2020
6PAF
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BU of 6paf by Molmil
Co-crystal Structure of human SMYD3 with Isoxazole Amides Inhibitors
Descriptor: GLYCEROL, Histone-lysine N-methyltransferase SMYD3, MAGNESIUM ION, ...
Authors:Elkins, P.A, Wang, L.
Deposit date:2019-06-11
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.241 Å)
Cite:Discovery of Isoxazole Amides as Potent and Selective SMYD3 Inhibitors.
Acs Med.Chem.Lett., 11, 2020
6PXV
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BU of 6pxv by Molmil
Cryo-EM structure of full-length insulin receptor bound to 4 insulin. 3D refinement was focused on the extracellular region.
Descriptor: Insulin, Insulin receptor
Authors:Uchikawa, E, Choi, E, Shang, G.J, Yu, H.T, Bai, X.C.
Deposit date:2019-07-27
Release date:2019-09-04
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Activation mechanism of the insulin receptor revealed by cryo-EM structure of the fully liganded receptor-ligand complex.
Elife, 8, 2019
6PYH
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BU of 6pyh by Molmil
Cryo-EM structure of full-length IGF1R-IGF1 complex. Only the extracellular region of the complex is resolved.
Descriptor: Insulin-like growth factor 1 receptor, Insulin-like growth factor I
Authors:Li, J, Choi, E, Yu, H.T, Bai, X.C.
Deposit date:2019-07-29
Release date:2019-10-23
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Structural basis of the activation of type 1 insulin-like growth factor receptor.
Nat Commun, 10, 2019
6PXW
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BU of 6pxw by Molmil
Cryo-EM structure of full-length insulin receptor bound to 4 insulin. 3D refinement was focused on the top part of the receptor complex.
Descriptor: Insulin, Insulin receptor
Authors:Uchikawa, E, Choi, E, Shang, G.J, Yu, H.T, Bai, X.C.
Deposit date:2019-07-28
Release date:2019-09-04
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Activation mechanism of the insulin receptor revealed by cryo-EM structure of the fully liganded receptor-ligand complex.
Elife, 8, 2019
6VLB
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BU of 6vlb by Molmil
Crystal structure of ligand-free UDP-GlcNAc 2-epimerase from Neisseria meningitidis
Descriptor: 1,2-ETHANEDIOL, SODIUM ION, UDP-N-acetylglucosamine 2-epimerase
Authors:Fisher, A.J, Hurlburt, N.K.
Deposit date:2020-01-23
Release date:2020-11-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural characterization of a nonhydrolyzing UDP-GlcNAc 2-epimerase from Neisseria meningitidis serogroup A.
Acta Crystallogr.,Sect.F, 76, 2020
2PE0
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BU of 2pe0 by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1 (PDK1) 5-Hydroxy-3-[1-(1H-pyrrol-2-yl)-eth-(Z)-ylidene]-1,3-dihydro-indol-2-one COMPLEX
Descriptor: 3-phosphoinositide-dependent protein kinase 1, 5-HYDROXY-3-[(1R)-1-(1H-PYRROL-2-YL)ETHYL]-2H-INDOL-2-ONE, GLYCEROL, ...
Authors:Whitlow, M, Adler, M.
Deposit date:2007-04-01
Release date:2007-06-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 1: Design, synthesis and biological activity.
Bioorg.Med.Chem.Lett., 17, 2007
6VLC
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BU of 6vlc by Molmil
Crystal structure of UDP-GlcNAc 2-epimerase from Neisseria meningitidis bound to UDP-GlcNAc
Descriptor: UDP-N-acetylglucosamine 2-epimerase, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
Authors:Fisher, A.J, Hurlburt, N.K.
Deposit date:2020-01-23
Release date:2020-11-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural characterization of a nonhydrolyzing UDP-GlcNAc 2-epimerase from Neisseria meningitidis serogroup A.
Acta Crystallogr.,Sect.F, 76, 2020
2PE1
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BU of 2pe1 by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1 (PDK1) {2-Oxo-3-[1-(1H-pyrrol-2-yl)-eth-(Z)-ylidene]-2,3-dihydro-1H-indol-5-yl}-urea {BX-517} COMPLEX
Descriptor: 1-{2-OXO-3-[(1R)-1-(1H-PYRROL-2-YL)ETHYL]-2H-INDOL-5-YL}UREA, 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, ...
Authors:Whitlow, M, Adler, M.
Deposit date:2007-04-01
Release date:2007-06-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 1: Design, synthesis and biological activity.
Bioorg.Med.Chem.Lett., 17, 2007
6WML
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BU of 6wml by Molmil
Human TLR8 bound to the potent agonist, GS-9688 (Selgantolimod)
Descriptor: (2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Toll-like receptor 8, ...
Authors:Appleby, T.C, Perry, J.K, Mish, M, Villasenor, A.G, Mackman, R.L.
Deposit date:2020-04-21
Release date:2021-02-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of GS-9688 (Selgantolimod) as a Potent and Selective Oral Toll-Like Receptor 8 Agonist for the Treatment of Chronic Hepatitis B.
J.Med.Chem., 63, 2020
5NUI
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BU of 5nui by Molmil
Crystal structure of SIVmac239 Nef in an ExxxLM endocytic sorting motif bound state
Descriptor: Protein Nef, SER-GLN-ILE-LYS-ARG-LEU-LEU-SER
Authors:Manrique, S, Horenkamp, F.A, Anand, K, Geyer, M.
Deposit date:2017-04-30
Release date:2017-08-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Endocytic sorting motif interactions involved in Nef-mediated downmodulation of CD4 and CD3.
Nat Commun, 8, 2017
5NUH
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BU of 5nuh by Molmil
Crystal structure of SIVmac239 Nef bound to an engineered Hck SH3 domain
Descriptor: Protein Nef, Tyrosine-protein kinase HCK,Tyrosine-protein kinase HCK
Authors:Horenkamp, F.A, Anand, K, Geyer, M.
Deposit date:2017-04-30
Release date:2017-08-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Endocytic sorting motif interactions involved in Nef-mediated downmodulation of CD4 and CD3.
Nat Commun, 8, 2017
6XTG
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BU of 6xtg by Molmil
Ab 1116NS19.9 bound to CA19-9
Descriptor: Heavy chain, Light chain, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Diskin, R, Borenstein-Katz, A.
Deposit date:2020-01-16
Release date:2021-01-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Biomolecular Recognition of the Glycan Neoantigen CA19-9 by Distinct Antibodies.
J.Mol.Biol., 433, 2021
7DZL
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BU of 7dzl by Molmil
A69C-M71L mutant of Fabp protein
Descriptor: Fatty acid-binding protein, liver, PALMITIC ACID
Authors:Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J.
Deposit date:2021-01-25
Release date:2022-07-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser.
Nat.Chem., 14, 2022
7DZF
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BU of 7dzf by Molmil
Intermediate of FABP with a delay time of 10 ns
Descriptor: Fatty acid-binding protein, liver, PALMITIC ACID
Authors:Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J.
Deposit date:2021-01-25
Release date:2022-07-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser.
Nat.Chem., 14, 2022
7DZJ
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BU of 7dzj by Molmil
Fabp protein before hv
Descriptor: Fatty acid-binding protein, liver, PALMITIC ACID
Authors:Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J.
Deposit date:2021-01-25
Release date:2022-07-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser.
Nat.Chem., 14, 2022
7DZH
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BU of 7dzh by Molmil
intermediate of FABP with a delay time of 100 ns
Descriptor: Fatty acid-binding protein, liver, PALMITIC ACID
Authors:Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J.
Deposit date:2021-01-25
Release date:2022-07-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser.
Nat.Chem., 14, 2022
7DZG
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BU of 7dzg by Molmil
Intermediate of FABP with a delay time of 30 ns
Descriptor: Fatty acid-binding protein, liver, PALMITIC ACID
Authors:Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J.
Deposit date:2021-01-25
Release date:2022-07-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser.
Nat.Chem., 14, 2022
7DZE
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BU of 7dze by Molmil
Fabp ground state captured by XFELs
Descriptor: Fatty acid-binding protein, liver, PALMITIC ACID
Authors:Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J.
Deposit date:2021-01-25
Release date:2022-07-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser.
Nat.Chem., 14, 2022
7DZI
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BU of 7dzi by Molmil
intermediate of FABP with a delay time of 300 ns
Descriptor: Fatty acid-binding protein, liver, PALMITIC ACID
Authors:Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J.
Deposit date:2021-01-25
Release date:2022-07-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser.
Nat.Chem., 14, 2022
7DZK
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BU of 7dzk by Molmil
Fabp protein after hv
Descriptor: Fatty acid-binding protein, liver, PALMITIC ACID
Authors:Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J.
Deposit date:2021-01-25
Release date:2022-07-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser.
Nat.Chem., 14, 2022
6TYO
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BU of 6tyo by Molmil
Salmonella Typhi PltB Homopentamer with Neu-5NAc-4OAc-alpha-2-3-Gal-beta-1-4-GlcNAc Glycans
Descriptor: 4-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Pertussis-like toxin subunit
Authors:Nguyen, T, Milano, S.K, Yang, Y.A, Song, J.
Deposit date:2019-08-09
Release date:2020-02-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:The role of 9-O-acetylated glycan receptor moieties in the typhoid toxin binding and intoxication.
Plos Pathog., 16, 2020

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