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7TYW
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BU of 7tyw by Molmil
Human Amylin1 Receptor in complex with Gs and salmon calcitonin peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, Calcitonin receptor, ...
Authors:Cao, J, Belousoff, M.J, Johnson, R.M, Wootten, D.L, Sexton, P.M.
Deposit date:2022-02-14
Release date:2022-03-23
Last modified:2022-04-06
Method:ELECTRON MICROSCOPY (3 Å)
Cite:A structural basis for amylin receptor phenotype.
Science, 375, 2022
7U0D
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BU of 7u0d by Molmil
Local refinement of cryo-EM structure of the interface of the Omicron RBD in complex with antibodies B-182.1 and A19-46.1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of SARS-CoV-2 antibody A19-46.1, Heavy chain of SARS-CoV-2 antibody B1-182.1, ...
Authors:Zhou, T, kwong, P.D.
Deposit date:2022-02-17
Release date:2022-03-30
Last modified:2022-10-19
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Structural basis for potent antibody neutralization of SARS-CoV-2 variants including B.1.1.529.
Science, 376, 2022
7TYX
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BU of 7tyx by Molmil
Human Amylin2 Receptor in complex with Gs and rat amylin peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, Calcitonin receptor, ...
Authors:Cao, J, Belousoff, M.J, Johnson, R.M, Wootten, D.L, Sexton, P.M.
Deposit date:2022-02-14
Release date:2022-03-30
Last modified:2022-04-06
Method:ELECTRON MICROSCOPY (2.55 Å)
Cite:A structural basis for amylin receptor phenotype.
Science, 375, 2022
8D4U
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BU of 8d4u by Molmil
Crystal Structure of Neutrophil Elastase Inhibited by Eap2 from S. aureus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Extracellular Adherence Protein, ...
Authors:Gido, C.D, Herdendorf, T.J, Geisbrecht, B.V.
Deposit date:2022-06-02
Release date:2022-12-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Characterization of two distinct neutrophil serine protease-binding modes within a Staphylococcus aureus innate immune evasion protein family.
J.Biol.Chem., 299, 2023
7TYI
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BU of 7tyi by Molmil
Calcitonin Receptor in complex with Gs and rat amylin peptide, CT-like state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Calcitonin receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Cao, J, Belousoff, M.J, Johnson, R.M, Wootten, D.L, Sexton, P.M.
Deposit date:2022-02-13
Release date:2022-03-30
Last modified:2022-04-06
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:A structural basis for amylin receptor phenotype.
Science, 375, 2022
8D4S
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BU of 8d4s by Molmil
Crystal Structure of Cathepsin G Inhibited by Eap1 from S. aureus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cathepsin G, C-terminal truncated form, ...
Authors:Gido, C.D, Herdendorf, T.J, Geisbrecht, B.V.
Deposit date:2022-06-02
Release date:2022-12-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Characterization of two distinct neutrophil serine protease-binding modes within a Staphylococcus aureus innate immune evasion protein family.
J.Biol.Chem., 299, 2023
5LP1
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BU of 5lp1 by Molmil
CRYSTAL STRUCTURE OF HUMAN LIPOPROTEIN-ASSOCIATED PHOSPHOLIPASE A2 IN COMPLEX WITH A [1.1.1]BICYCLOPENTANE-CONTAINING INHIBITOR AT 1.91A RESOLUTION.
Descriptor: CHLORIDE ION, Platelet-activating factor acetylhydrolase, ~{N}-[2-(diethylamino)ethyl]-2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-5~{H}-cyclopenta[d]pyrimidin-1-yl]-~{N}-[[3-[4-(trifluoromethyl)phenyl]-1-bicyclo[1.1.1]pentanyl]methyl]ethanamide
Authors:Somers, D.
Deposit date:2016-08-11
Release date:2017-02-01
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Investigation of a Bicyclo[1.1.1]pentane as a Phenyl Replacement within an LpPLA2 Inhibitor.
ACS Med Chem Lett, 8, 2017
6DXX
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BU of 6dxx by Molmil
Human N-acylethanolamine-hydrolyzing acid amidase (NAAA) in complex with non-covalent benzothiazole-piperazine inhibitor ARN19702, in presence of Triton X-100
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL, ...
Authors:Gorelik, A, Gebai, A, Illes, K, Piomelli, D, Nagar, B.
Deposit date:2018-07-01
Release date:2018-09-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular mechanism of activation of the immunoregulatory amidase NAAA.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
8F5W
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BU of 8f5w by Molmil
Dihydropyrimidine Dehydrogenase (DPD) C671S Mutant Soaked with Dihydrothymine and NADPH Quasi-Anaerobically
Descriptor: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, Dihydropyrimidine dehydrogenase [NADP(+)], FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Kaley, N, Smith, M, Forouzesh, D, Liu, D, Moran, G.
Deposit date:2022-11-15
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Mammalian dihydropyrimidine dehydrogenase: Added mechanistic details from transient-state analysis of charge transfer complexes.
Arch.Biochem.Biophys., 736, 2023
6I5V
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BU of 6i5v by Molmil
BlMnBP1 binding protein of an ABC transporter from Bifidobacterium animalis subsp. lactis ATCC27673 in complex with mannotriose
Descriptor: Solute Binding Protein, BlMnBP1 in complex with mannotrisoe, ZINC ION, ...
Authors:Abou Hachem, M, Ejby, M, Guskov, A, Slotboom, D.J.
Deposit date:2018-11-14
Release date:2019-04-17
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Two binding proteins of the ABC transporter that confers growth of Bifidobacterium animalis subsp. lactis ATCC27673 on beta-mannan possess distinct manno-oligosaccharide-binding profiles.
Mol.Microbiol., 112, 2019
7MLZ
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BU of 7mlz by Molmil
Cryo-EM structure of SARS-CoV-2 spike in complex with neutralizing antibody B1-182.1 that targets the receptor-binding domain
Descriptor: B1-182.1 Fab heavy chain, B1-182.1 Fab light chain, Spike protein S1, ...
Authors:Zhou, T, Tsybovsky, T, Kwong, P.D.
Deposit date:2021-04-29
Release date:2021-07-28
Last modified:2021-08-25
Method:ELECTRON MICROSCOPY (3.71 Å)
Cite:Ultrapotent antibodies against diverse and highly transmissible SARS-CoV-2 variants.
Science, 373, 2021
6I7W
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BU of 6i7w by Molmil
Structure of the periplasmic binding protein (PBP) AccA in complex with 2-glucose-2-O-lactic acid phosphate (G2LP) from Agrobacterium fabrum C58
Descriptor: 2-O-[(R)-{[(2S)-1,1-dihydroxypropan-2-yl]oxy}(hydroxy)phosphoryl]-alpha-D-glucopyranose, 2-O-[(R)-{[(2S)-1,1-dihydroxypropan-2-yl]oxy}(hydroxy)phosphoryl]-beta-D-glucopyranose, ABC transporter, ...
Authors:Morera, S, Vigouroux, A, El Sahili, A.
Deposit date:2018-11-19
Release date:2019-01-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Synthesis of a non-natural glucose-2-phosphate ester able to dupe the acc system of Agrobacterium fabrum.
Org. Biomol. Chem., 17, 2019
8EWF
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BU of 8ewf by Molmil
CryoEM structure of Western equine encephalitis virus VLP in complex with the avian MXRA8 receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Chimeric MXRA8 receptor: D1 from Duck MXRA8 and D2 from Mouse MXRA8, E1 envelope protein, ...
Authors:Zimmerman, M.I, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2022-10-22
Release date:2023-10-25
Method:ELECTRON MICROSCOPY (3.92 Å)
Cite:Alternate domain repeat usage in an alphavirus entry receptor enables host species expansion
To Be Published
5L7I
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BU of 5l7i by Molmil
Structure of human Smoothened in complex with Vismodegib
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-chloranyl-~{N}-(4-chloranyl-3-pyridin-2-yl-phenyl)-4-methylsulfonyl-benzamide, SODIUM ION, ...
Authors:Byrne, E.X.B, Sircar, R, Miller, P.S, Hedger, G, Luchetti, G, Nachtergaele, S, Tully, M.D, Mydock-McGrane, L, Covey, D.F, Rambo, R.F, Sansom, M.S.P, Newstead, S, Rohatgi, R, Siebold, C.
Deposit date:2016-06-03
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural basis of Smoothened regulation by its extracellular domains.
Nature, 535, 2016
6HCL
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BU of 6hcl by Molmil
Crystal structure of a MFS transporter with Ligand at 2.69 Angstroem resolution
Descriptor: (2S)-2-HYDROXYPROPANOIC ACID, Major facilitator superfamily MFS_1, nonyl beta-D-glucopyranoside
Authors:Kalbermatter, D, Bosshart, P, Bonetti, S, Fotiadis, D.
Deposit date:2018-08-15
Release date:2019-07-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mechanistic basis of L-lactate transport in the SLC16 solute carrier family.
Nat Commun, 10, 2019
7U9O
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BU of 7u9o by Molmil
SARS-CoV-2 spike trimer RBD in complex with Fab NE12
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, NE12 Fab heavy chain, NE12 Fab light chain, ...
Authors:Tsybovsky, Y, Kwong, P.D, Farci, P.
Deposit date:2022-03-11
Release date:2022-11-23
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Potent monoclonal antibodies neutralize Omicron sublineages and other SARS-CoV-2 variants.
Cell Rep, 41, 2022
6FWJ
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BU of 6fwj by Molmil
Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-Glc-1,3-(1,2-anhydro-carba-mannosamine) and alpha-1,2-mannobiose
Descriptor: (1~{R},2~{R},3~{R},4~{R},6~{R})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol, ACETATE ION, Glycosyl hydrolase family 71, ...
Authors:Sobala, L.F, Speciale, G, Hakki, Z, Fernandes, P.Z, Raich, L, Rojas-Cervellera, V, Bennet, A, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Lu, D, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J.
Deposit date:2018-03-06
Release date:2019-09-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:An Epoxide Intermediate in Glycosidase Catalysis.
Acs Cent.Sci., 6, 2020
5J9L
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BU of 5j9l by Molmil
Crystal structure of CPT1691 bound to TAK1-TAB1
Descriptor: Mitogen-activated protein kinase kinase kinase 7,TGF-beta-activated kinase 1 and MAP3K7-binding protein 1, N-(4-((2-((4-(4-methylpiperazin-1-yl)phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenyl)acrylamide
Authors:Gurbani, D, Westover, K.D.
Deposit date:2016-04-10
Release date:2017-02-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7515 Å)
Cite:Structure-guided development of covalent TAK1 inhibitors.
Bioorg. Med. Chem., 25, 2017
8U1D
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BU of 8u1d by Molmil
Cryo-EM structure of vaccine-elicited CD4 binding site antibody DH1285 bound to HIV-1 CH505TFchim.6R.SOSIP.664v4.1 Env Local Refinement
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DH1285 Heavy Chain, DH1285 Light Chain, ...
Authors:Thakur, B, Stalls, V.D, Acharya, P.
Deposit date:2023-08-31
Release date:2024-01-03
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (4.25 Å)
Cite:Vaccine induction of CD4-mimicking HIV-1 broadly neutralizing antibody precursors in macaques.
Cell, 187, 2024
8UFB
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BU of 8ufb by Molmil
Eastern equine encephalitis virus (PE-6) VLP in complex with full-length VLDLR (asymmetric unit)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Capsid protein, ...
Authors:Adams, L.J, Fremont, D.H, Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2023-10-04
Release date:2024-01-17
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (3.89 Å)
Cite:Structural and functional basis of VLDLR usage by Eastern equine encephalitis virus.
Cell, 187, 2024
8UFC
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BU of 8ufc by Molmil
Eastern equine encephalitis virus (PE-6) VLP in complex with VLDLR LA(1-2) (asymmetric unit)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Capsid protein, ...
Authors:Adams, L.J, Fremont, D.H, Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2023-10-04
Release date:2024-01-17
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (3.09 Å)
Cite:Structural and functional basis of VLDLR usage by Eastern equine encephalitis virus.
Cell, 187, 2024
8UFA
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BU of 8ufa by Molmil
Eastern equine encephalitis virus (PE-6) VLP (asymmetric unit)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Capsid protein, E1 protein, ...
Authors:Adams, L.J, Fremont, D.H, Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2023-10-04
Release date:2024-01-17
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (2.86 Å)
Cite:Structural and functional basis of VLDLR usage by Eastern equine encephalitis virus.
Cell, 187, 2024
7TUG
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BU of 7tug by Molmil
Crystal structure of Tapasin in complex with PaSta2-Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, PaSta2 Fab heavy chain, PaSta2 Fab kappa light chain, ...
Authors:Jiang, J, Natarajan, K, Taylor, D.K, Boyd, L.F, Margulies, D.H.
Deposit date:2022-02-02
Release date:2022-09-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Structural mechanism of tapasin-mediated MHC-I peptide loading in antigen presentation.
Nat Commun, 13, 2022
8F0G
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BU of 8f0g by Molmil
Structure of SARS-CoV-2 Omicron BA.1 spike in complex with antibody Fab 1C3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody 1C3 Fab Heavy Chain, ...
Authors:Yu, X, Zyla, D, Hastie, K.M, Saphire, E.O.
Deposit date:2022-11-02
Release date:2023-05-03
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:Potent Omicron-neutralizing antibodies isolated from a patient vaccinated 6 months before Omicron emergence.
Cell Rep, 42, 2023
6S21
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BU of 6s21 by Molmil
Metabolism of multiple glycosaminoglycans by bacteroides thetaiotaomicron is orchestrated by a versatile core genetic locus (BT33494S-sulf)
Descriptor: 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid, CALCIUM ION, Endo-4-O-sulfatase
Authors:Ndeh, D, Basle, A, Strahl, H, Henrissat, B, Terrapon, N, Cartmell, A.
Deposit date:2019-06-19
Release date:2020-02-05
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Metabolism of multiple glycosaminoglycans by Bacteroides thetaiotaomicron is orchestrated by a versatile core genetic locus.
Nat Commun, 11, 2020

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