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6ZFA
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BU of 6zfa by Molmil
Structure of the catalytic domain of human endo-alpha-mannosidase MANEA in complex with GlcIFG, alpha-1,2-mannobiose and hexatungstotellurate(VI) TEW
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, 6-tungstotellurate(VI), ...
Authors:Sobala, L.F, Fernandes, P.Z, Hakki, Z, Thompson, A.J, Howe, J.D, Hill, M, Zitzmann, N, Davies, S, Stamataki, Z, Butters, T.D, Alonzi, D.S, Williams, S.J, Davies, G.J.
Deposit date:2020-06-16
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of human endo-alpha-1,2-mannosidase (MANEA), an antiviral host-glycosylation target.
Proc.Natl.Acad.Sci.USA, 117, 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
6YBQ
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BU of 6ybq by Molmil
Engineered glycolyl-CoA carboxylase (quintuple mutant) with bound CoA
Descriptor: 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, COENZYME A, Propionyl-CoA carboxylase alpha subunit, ...
Authors:Schuller, J.M, Schuller, S.K, Zarzycki, J, Scheffen, M, Marchal, D.M, Erb, T.J.
Deposit date:2020-03-17
Release date:2020-10-28
Last modified:2021-05-12
Method:ELECTRON MICROSCOPY (1.96 Å)
Cite:A new-to-nature carboxylation module to improve natural and synthetic CO2 fixation
Nat Catal, 2021
6ON6
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BU of 6on6 by Molmil
Crystal Structure of the RIG-5 IG1 homodimer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, 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 (1.423 Å)
Cite:Family of neural wiring receptors in bilaterians defined by phylogenetic, biochemical, and structural evidence.
Proc.Natl.Acad.Sci.USA, 116, 2019
6OZ3
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BU of 6oz3 by Molmil
Crystal structure of broadly neutralizing antibody N49P9.1 Fab in complex with HIV-1 Clade A/E strain 93TH057 gp120 core
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, N49P9.1 antibody Fab heavy chain, N49P9.1 antibody Fab light chain, ...
Authors:Tolbert, W.D, Pazgier, M.
Deposit date:2019-05-15
Release date:2020-08-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Crystal structure of broadly neutralizing antibody N49P9.1 Fab in complex with HIV-1 Clade A/E strain 93TH)57 gp120 core
To Be Published
8COE
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BU of 8coe by Molmil
complement C5 in complex with the LCP0195 nanobody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C5 alpha chain, Complement C5 beta chain, ...
Authors:Andersen, G.R, Pedersen, D.V.
Deposit date:2023-02-28
Release date:2024-01-03
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:Characterization of the bispecific VHH antibody gefurulimab (ALXN1720) targeting complement component 5, and designed for low volume subcutaneous administration.
Mol.Immunol., 165, 2023
8C89
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BU of 8c89 by Molmil
SARS-CoV-2 spike in complex with the 17T2 neutralizing antibody Fab fragment (local refinement of RBD and Fab)
Descriptor: 17T2 Fab heavy chain, 17T2 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Modrego, A, Carlero, D, Bueno-Carrasco, M.T, Santiago, C, Carolis, C, Arranz, R, Blanco, J, Magri, G.
Deposit date:2023-01-19
Release date:2024-01-10
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (4.41 Å)
Cite:A monoclonal antibody targeting a large surface of the receptor binding motif shows pan-neutralizing SARS-CoV-2 activity.
Nat Commun, 15, 2024
7ASD
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BU of 7asd by Molmil
Structure of native royal jelly filaments
Descriptor: (3beta,14beta,17alpha)-ergosta-5,24(28)-dien-3-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Mattei, S, Ban, A, Picenoni, A, Leibundgut, M, Glockshuber, R, Boehringer, D.
Deposit date:2020-10-27
Release date:2020-12-30
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure of native glycolipoprotein filaments in honeybee royal jelly.
Nat Commun, 11, 2020
6Y5I
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BU of 6y5i by Molmil
Dilated form 1 of X-31 Influenza Haemagglutinin at pH 5 (State II)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, X-31 Influenza Haemagglutinin HA1, ...
Authors:Benton, D.J, Rosenthal, P.B.
Deposit date:2020-02-25
Release date:2020-06-10
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (5.5 Å)
Cite:Structural transitions in influenza haemagglutinin at membrane fusion pH.
Nature, 583, 2020
6Y5R
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BU of 6y5r by Molmil
Structure of Human Potassium Chloride Transporter KCC3 S45D/T940D/T997D in NaCl
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, B, 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, Structural Genomics Consortium (SGC)
Deposit date:2020-02-25
Release date:2020-03-11
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.76 Å)
Cite:Structure of Human Potassium Chloride Transporter KCC3 in NaCl
To be published
6Y4C
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BU of 6y4c by Molmil
Structure of galectin-3C in complex with lactose determined by serial crystallography using an XtalTool support
Descriptor: CHLORIDE ION, Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Shilova, A, Hakansson, M, Welin, M, Kovacic, R, Mueller, U, Logan, D.T.
Deposit date:2020-02-20
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Current status and future opportunities for serial crystallography at MAX IV Laboratory.
J.Synchrotron Radiat., 27, 2020
5WV7
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BU of 5wv7 by Molmil
Crystal structure of d(CCGGGGTACCCCGG)2 at 1.4A resolution
Descriptor: DNA (5'-D(*CP*CP*GP*GP*GP*GP*TP*AP*CP*CP*CP*CP*GP*G)-3')
Authors:Karthik, S, Thirugnanasambandam, A, Mandal, P.K, Gautham, N.
Deposit date:2016-12-22
Release date:2017-05-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.406 Å)
Cite:Crystal structure of d(CCGGGGTACCCCGG)2 at 1.4 angstrom resolution.
Acta Crystallogr F Struct Biol Commun, 73, 2017
7Q4C
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BU of 7q4c by Molmil
Local refinement structure of the C-domain of full-length, monomeric, soluble somatic angiotensin I-converting enzyme
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ...
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 (4.08 Å)
Cite:Cryo-EM reveals mechanisms of angiotensin I-converting enzyme allostery and dimerization.
Embo J., 41, 2022
6VXQ
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BU of 6vxq by Molmil
Bruton's tyrosine kinase in complex with compound 5
Descriptor: DIMETHYL SULFOXIDE, N-{[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl}benzamide, Tyrosine-protein kinase BTK
Authors:Metrick, C.M, Marcotte, D.J.
Deposit date:2020-02-23
Release date:2020-12-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Discovery of BIIB068: A Selective, Potent, Reversible Bruton's Tyrosine Kinase Inhibitor as an Orally Efficacious Agent for Autoimmune Diseases.
J.Med.Chem., 63, 2020
6W06
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BU of 6w06 by Molmil
Bruton's tyrosine kinase in complex with compound 6
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-~{tert}-butyl-~{N}-[[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide, DIMETHYL SULFOXIDE, ...
Authors:Metrick, C.M, Marcotte, D.J.
Deposit date:2020-02-29
Release date:2020-12-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery of BIIB068: A Selective, Potent, Reversible Bruton's Tyrosine Kinase Inhibitor as an Orally Efficacious Agent for Autoimmune Diseases.
J.Med.Chem., 63, 2020
5WJF
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BU of 5wjf by Molmil
Crystal structure of murine 4-1BB from HEK293T cells in P21212 space group
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Tumor necrosis factor receptor superfamily member 9
Authors:Zajonc, D.M, Doukov, T, Bitra, A.
Deposit date:2017-07-21
Release date:2017-12-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of murine 4-1BB and its interaction with 4-1BBL support a role for galectin-9 in 4-1BB signaling.
J. Biol. Chem., 293, 2018
6N50
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BU of 6n50 by Molmil
Metabotropic Glutamate Receptor 5 Extracellular Domain in Complex with Nb43 and L-quisqualic acid
Descriptor: (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 5, ...
Authors:Koehl, A, Hu, H, Feng, D, Sun, B, Chu, M, Weis, W.I, Skiniotis, G, Mathiesen, J.M, Kobilka, B.K.
Deposit date:2018-11-20
Release date:2019-01-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.751 Å)
Cite:Structural insights into the activation of metabotropic glutamate receptors.
Nature, 566, 2019
7Q9F
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BU of 7q9f by Molmil
Beta-50 fab in complex with SARS-CoV-2 beta-Spike glycoprotein
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-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Duyvesteyn, H.M.E, Ren, J, Stuart, D.I.
Deposit date:2021-11-12
Release date:2021-12-15
Last modified:2022-01-26
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:The antibody response to SARS-CoV-2 Beta underscores the antigenic distance to other variants.
Cell Host Microbe, 30, 2022
7Q9M
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BU of 7q9m by Molmil
Beta-53 fab in complex with SARS-CoV-2 beta-Spike glycoprotein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-53 fab heavy chain, ...
Authors:Duyvesteyn, H.M.E, Ren, J, Stuart, D.I.
Deposit date:2021-11-12
Release date:2021-12-15
Last modified:2022-01-26
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:The antibody response to SARS-CoV-2 Beta underscores the antigenic distance to other variants.
Cell Host Microbe, 30, 2022
8B0B
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BU of 8b0b by Molmil
Crystal structure of human heparanase in complex with covalent inhibitor VB151
Descriptor: (1~{S},2~{R},3~{R},4~{S},6~{S})-2-(2-acetamidoethoxy)-3,4,6-tris(oxidanyl)cyclohexane-1-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Armstrong, Z, Davies, G.J.
Deposit date:2022-09-07
Release date:2022-12-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:4-O-Substituted Glucuronic Cyclophellitols are Selective Mechanism-Based Heparanase Inhibitors.
Chemmedchem, 18, 2023
8B0C
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BU of 8b0c by Molmil
Crystal structure of human heparanase in complex with covalent inhibitor VB158
Descriptor: (1~{S},2~{R},3~{R},4~{S},6~{S})-3,4,6-tris(oxidanyl)-2-[2-[2,2,2-tris(fluoranyl)ethanoylamino]ethoxy]cyclohexane-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Heparanase 50 kDa subunit, ...
Authors:Armstrong, Z, Davies, G.
Deposit date:2022-09-07
Release date:2022-12-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:4-O-Substituted Glucuronic Cyclophellitols are Selective Mechanism-Based Heparanase Inhibitors.
Chemmedchem, 18, 2023
7QO9
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BU of 7qo9 by Molmil
SARS-CoV-2 S Omicron Spike B.1.1.529 - RBD and NTD (Local)
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,SARS-CoV-2 S Omicron Spike B.1.1.529, ...
Authors:Ni, D, Lau, K, Turelli, P, Beckert, B, Nazarov, S, Pojer, F, Myasnikov, A, Stahlberg, H, Trono, D.
Deposit date:2021-12-23
Release date:2022-01-26
Method:ELECTRON MICROSCOPY (3.88 Å)
Cite:Structural analysis of the Spike of the Omicron SARS-COV-2 variant by cryo-EM and implications for immune evasion
Biorxiv, 2021
6Y5J
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BU of 6y5j by Molmil
Dilated form 2 of X-31 Influenza Haemagglutinin at pH 5 (State III)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, X-31 Influenza Haemagglutinin HA1, ...
Authors:Benton, D.J, Rosenthal, P.B.
Deposit date:2020-02-25
Release date:2020-06-10
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (5.6 Å)
Cite:Structural transitions in influenza haemagglutinin at membrane fusion pH.
Nature, 583, 2020
6Y78
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BU of 6y78 by Molmil
Structure of galectin-3C in complex with lactose determined by serial crystallography using a silicon nitride membrane support
Descriptor: Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Hakansson, M, Welin, M, Shilova, A, Kovacic, R, Mueller, U, Logan, D.T.
Deposit date:2020-02-28
Release date:2020-07-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Current status and future opportunities for serial crystallography at MAX IV Laboratory.
J.Synchrotron Radiat., 27, 2020
7NRJ
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BU of 7nrj by Molmil
Crystal Structure of a Class D carbapenemase complexed with iodide
Descriptor: 1-BUTANOL, Beta-lactamase, GLYCEROL, ...
Authors:Zhou, Q, He, Y, Jin, Y.
Deposit date:2021-03-04
Release date:2022-03-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023

225399

数据于2024-09-25公开中

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