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8FXC
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SARS-CoV-2 BQ.1.1 spike RBD bound to the human ACE2 ectodomain and the S309 neutralizing antibody Fab fragment
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, S309 Heavy chain, ...
Authors:Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
Deposit date:2023-01-24
Release date:2023-10-04
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Neutralization, effector function and immune imprinting of Omicron variants.
Nature, 621, 2023
6XCJ
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BU of 6xcj by Molmil
Crystal Structure of DH650 Fab from a Rhesus Macaque in Complex with HIV-1 gp120 Core
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DH650 Fab Heavy Chain, DH650 Fab Light Chain, ...
Authors:Raymond, D.D, Chug, H, Harrison, S.C.
Deposit date:2020-06-08
Release date:2020-12-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Recapitulation of HIV-1 Env-antibody coevolution in macaques leading to neutralization breadth.
Science, 371, 2021
6XLU
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Structure of SARS-CoV-2 spike at pH 4.0
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
Authors:Zhou, T, Tsybovsky, Y, Olia, A, Kwong, P.D.
Deposit date:2020-06-29
Release date:2020-08-12
Last modified:2021-12-15
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains.
Cell Host Microbe, 28, 2020
6XTA
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Recombinant human butyrylcholinesterase in complex with (2S)-N-[2-(1-benzylazepan-4-yl)ethyl]-2-(butylamino)-3-(1H-indol-3-yl)propanamide
Descriptor: (2~{S})-2-(butylamino)-3-(1~{H}-indol-3-yl)-~{N}-[2-[(4~{R})-1-(phenylmethyl)azepan-4-yl]ethyl]propanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Brazzolotto, X, Nachon, F, Meden, A, Knez, D, Gobec, S.
Deposit date:2020-01-15
Release date:2020-10-28
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-activity relationship study of tryptophan-based butyrylcholinesterase inhibitors.
Eur.J.Med.Chem., 208, 2020
7Q4D
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Local refinement structure of the two interacting N-domains of full-length, dimeric, soluble somatic angiotensin I-converting enzyme
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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-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, ...
Authors:Lubbe, L, Sewell, B.T, Sturrock, E.D.
Deposit date:2021-10-30
Release date:2022-07-20
Last modified:2022-08-24
Method:ELECTRON MICROSCOPY (3.78 Å)
Cite:Cryo-EM reveals mechanisms of angiotensin I-converting enzyme allostery and dimerization.
Embo J., 41, 2022
7Q4E
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Local refinement structure of a single N-domain of full-length, dimeric, soluble somatic angiotensin I-converting enzyme
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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-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, ...
Authors:Lubbe, L, Sewell, B.T, Sturrock, E.D.
Deposit date:2021-10-30
Release date:2022-07-20
Last modified:2022-08-24
Method:ELECTRON MICROSCOPY (3.63 Å)
Cite:Cryo-EM reveals mechanisms of angiotensin I-converting enzyme allostery and dimerization.
Embo J., 41, 2022
6XM3
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BU of 6xm3 by Molmil
Structure of SARS-CoV-2 spike at pH 5.5, single RBD up, conformation 1
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
Authors:Zhou, T, Tsybovsky, Y, Olia, A, Kwong, P.D.
Deposit date:2020-06-29
Release date:2020-08-12
Last modified:2021-12-15
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains.
Cell Host Microbe, 28, 2020
6ZS5
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BU of 6zs5 by Molmil
3.5 A cryo-EM structure of human uromodulin filament core
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Uromodulin, alpha-D-mannopyranose-(1-3)-[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
Authors:Stanisich, J.J, Zyla, D, Afanasyev, P, Xu, J, Pilhofer, M, Boeringer, D, Glockshuber, R.
Deposit date:2020-07-15
Release date:2020-09-02
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:The cryo-EM structure of the human uromodulin filament core reveals a unique assembly mechanism.
Elife, 9, 2020
6ONB
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BU of 6onb by Molmil
Crystal Structure of the ZIG-8-RIG-5 IG1-IG1 heterodimer, monoclinic form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, NeuRonal IgCAM-5, ...
Authors:Cheng, S, Kurleto, J.D, Ozkan, E.
Deposit date:2019-04-20
Release date:2019-05-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.696 Å)
Cite:Family of neural wiring receptors in bilaterians defined by phylogenetic, biochemical, and structural evidence.
Proc.Natl.Acad.Sci.USA, 116, 2019
4TX6
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BU of 4tx6 by Molmil
AfChiA1 in complex with compound 1
Descriptor: 3-(2-methoxyphenyl)-6-methyl[1,2]oxazolo[5,4-d]pyrimidin-4(5H)-one, Class III chitinase ChiA1, PHOSPHATE ION
Authors:van Aalten, D.M.F.
Deposit date:2014-07-02
Release date:2014-08-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Screening-based discovery of Aspergillus fumigatus plant-type chitinase inhibitors
FEBS Lett, 588, 2014
6XKD
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BU of 6xkd by Molmil
Structure of ligand-bound mouse cGAMP hydrolase ENPP1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
Authors:Fernandez, D, Li, L.
Deposit date:2020-06-26
Release date:2021-06-02
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure-Aided Development of Small-Molecule Inhibitors of ENPP1, the Extracellular Phosphodiesterase of the Immunotransmitter cGAMP.
Cell Chem Biol, 27, 2020
6OOL
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BU of 6ool by Molmil
Structural elucidation of the Ectodomain of mouse UNC5H2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Netrin receptor UNC5B, ...
Authors:Stetefeld, J, McDougall, M.D, Loewen, P.C, Moya, A, Meier, M.
Deposit date:2019-04-23
Release date:2020-04-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural elucidation of the Ectodomain of mouse UNC5H2
To be published
6ZYA
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BU of 6zya by Molmil
Extended human uromodulin filament core at 3.5 A resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Uromodulin, alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)-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
Authors:Stanisich, J.J, Zyla, D, Afanasyev, P, Xu, J, Pilhofer, M, Boeringer, D, Glockshuber, R.
Deposit date:2020-07-31
Release date:2020-09-02
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:The cryo-EM structure of the human uromodulin filament core reveals a unique assembly mechanism.
Elife, 9, 2020
7A5V
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BU of 7a5v by Molmil
CryoEM structure of a human gamma-aminobutyric acid receptor, the GABA(A)R-beta3 homopentamer, in complex with histamine and megabody Mb25 in lipid nanodisc
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Nakane, T, Kotecha, A, Sente, A, Yamashita, K, McMullan, G, Masiulis, S, Brown, P.M.G.E, Grigoras, I.T, Malinauskaite, L, Malinauskas, T, Miehling, J, Yu, L, Karia, D, Pechnikova, E.V, de Jong, E, Keizer, J, Bischoff, M, McCormack, J, Tiemeijer, P, Hardwick, S.W, Chirgadze, D.Y, Murshudov, G, Aricescu, A.R, Scheres, S.H.W.
Deposit date:2020-08-22
Release date:2020-11-18
Last modified:2020-11-25
Method:ELECTRON MICROSCOPY (1.7 Å)
Cite:Single-particle cryo-EM at atomic resolution.
Nature, 587, 2020
6NRR
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BU of 6nrr by Molmil
Crystal structure of Dpr11 IG1 bound to DIP-gamma IG+IG2
Descriptor: Defective proboscis extension response 11, isoform B, Dpr-interacting protein gamma, ...
Authors:Cheng, S, Park, Y.J, Kurleto, J.D, Ozkan, E.
Deposit date:2019-01-24
Release date:2019-02-06
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular basis of synaptic specificity by immunoglobulin superfamily receptors in Drosophila.
Elife, 8, 2019
6NIG
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BU of 6nig by Molmil
Crystal structure of the human TLR2-Diprovocim complex
Descriptor: (3S,4S,3'S,4'S)-1,1'-(1,4-phenylenedicarbonyl)bis{N~3~,N~4~-bis[(1S,2R)-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxami de}, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, H, Beutler, B.A, Tomchick, D.R, Su, L.
Deposit date:2018-12-27
Release date:2019-04-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural Basis of TLR2/TLR1 Activation by the Synthetic Agonist Diprovocim.
J. Med. Chem., 62, 2019
4Y19
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BU of 4y19 by Molmil
immune complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FS18_alpha, FS18_beta, ...
Authors:Beringer, D.X, Petersen, J, Reid, H.H, Rossjohn, J.
Deposit date:2015-02-07
Release date:2015-09-23
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:T cell receptor reversed polarity recognition of a self-antigen major histocompatibility complex.
Nat.Immunol., 16, 2015
4UFZ
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BU of 4ufz by Molmil
Synthesis of Novel NAD Dependant DNA Ligase Inhibitors via Negishi Cross-Coupling: Development of SAR and Resistance Studies
Descriptor: 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 5,7-bis(azanyl)-2-tert-butyl-4-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carbonitrile, DNA LIGASE
Authors:Murphy-Benenato, K.E, Boriack-Sjodin, P.A, Martinez-Botella, G, Carcanague, D, Gingipali, L, Gowravaram, M, Harang, J, Hale, M, Ioannidis, G, Jahic, H, Johnstone, M, Kutschke, A, Laganas, V.A, Loch, J, Oguto, H, Patel, S.J.
Deposit date:2015-03-20
Release date:2015-10-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Negishi Cross-Coupling Enabled Synthesis of Novel Nad(+)-Dependent DNA Ligase Inhibitors and Sar Development.
Bioorg.Med.Chem.Lett., 25, 2015
6ZWI
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BU of 6zwi by Molmil
Human butyrylcholinesterase in complex with ((6-((2E,4E)-5-(benzo[d][1,3]dioxol-5-yl)penta-2,4-dienamido)hexyl)triphenylphosphonium bromide)
Descriptor: (2~{E},4~{E})-5-(1,3-benzodioxol-5-yl)-~{N}-[6-(triphenyl-$l^{5}-phosphanyl)hexyl]penta-2,4-dienamide, 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, ...
Authors:Da Silva, O, Nachon, F, Dias, J, Brazzolotto, X.
Deposit date:2020-07-28
Release date:2021-06-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Fine-Tuning the Biological Profile of Multitarget Mitochondriotropic Antioxidants for Neurodegenerative Diseases.
Antioxidants (Basel), 10, 2021
6XSK
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BU of 6xsk by Molmil
Cryo-EM Structure of Vaccine-Elicited Rhesus Antibody 789-203-3C12 in Complex with Stabilized SI06 (A/Solomon Islands/3/06) Influenza Hemagglutinin Trimer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 789-203-3C12 Fab Heavy Chain, ...
Authors:Cerutti, G, Gorman, J, Kwong, P.D, Shapiro, L.
Deposit date:2020-07-15
Release date:2021-07-21
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.85 Å)
Cite:Co-immunization with hemagglutinin stem immunogens elicits cross-group neutralizing antibodies and broad protection against influenza A viruses.
Immunity, 55, 2022
8GH4
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BU of 8gh4 by Molmil
Complex of Adam 10 disentegrin cysteine rich domains with human monoclonal antibody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody heavy chain, Antibody light chain, ...
Authors:Nikolov, D.B, Saha, N, Xu, K, Goldgur, Y.
Deposit date:2023-03-09
Release date:2023-08-30
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Fully human monoclonal antibody targeting activated ADAM10 on colorectal cancer cells.
Biomed Pharmacother, 161, 2023
6OJK
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BU of 6ojk by Molmil
Structure of YePL2A K291W in Complex with Tetragalacturonic Acid
Descriptor: 1,2-ETHANEDIOL, Periplasmic pectate lyase, alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid
Authors:Jones, D.R, Abbott, D.W.
Deposit date:2019-04-11
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A surrogate structural platform informed by ancestral reconstruction and resurrection of a putative carbohydrate binding module hybrid illuminates the neofunctionalization of a pectate lyase.
J.Struct.Biol., 207, 2019
6Y5V
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BU of 6y5v by Molmil
Structure of Human Potassium Chloride Transporter KCC3b (S45D/T940D/T997D) in KCl
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Solute carrier family 12 member 6, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Chi, G, Man, H, Ebenhoch, R, Reggiano, G, Pike, A.C.W, Wang, D, McKinley, G, Mukhopadhyay, S.M.M, MacLean, E.M, Chalk, R, Moreau, C, Snee, M, Bohstedt, T, Singh, N.K, Abrusci, P, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Marsden, B.D, Burgess-Brown, N.A, DiMaio, F, Duerr, K.L.
Deposit date:2020-02-25
Release date:2020-07-15
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (4.08 Å)
Cite:Phospho-regulation, nucleotide binding and ion access control in potassium-chloride cotransporters.
Embo J., 40, 2021
4V2A
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BU of 4v2a by Molmil
human Unc5A ectodomain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, NETRIN RECEPTOR UNC5A
Authors:Seiradake, E, del Toro, D, Nagel, D, Cop, F, Haertl, R, Ruff, T, Seyit-Bremer, G, Harlos, K, Border, E.C, Acker-Palmer, A, Jones, E.Y, Klein, R.
Deposit date:2014-10-08
Release date:2014-11-05
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Flrt Structure: Balancing Repulsion and Cell Adhesion in Cortical and Vascular Development
Neuron, 84, 2014
8EE5
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BU of 8ee5 by Molmil
Crystal structure of a NHP anti-ZIKV neutralizing antibody rhMZ119-D in complex with ZIKV E glycoprotein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein E, rhMZ119-D antibody heavy chain, ...
Authors:Sankhala, R.S, Joyce, M.G.
Deposit date:2022-09-06
Release date:2023-08-30
Method:X-RAY DIFFRACTION (3.583 Å)
Cite:Zika-specific neutralizing antibodies targeting inter-dimer envelope epitopes.
Cell Rep, 42, 2023

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