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6ZFA
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Structure of the catalytic domain of human endo-alpha-mannosidase MANEA in complex with GlcIFG, alpha-1,2-mannobiose and hexatungstotellurate(VI) TEW
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, 6-tungstotellurate(VI), ...
著者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.
登録日2020-06-16
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, EY6A heavy chain, EY6A light chain, ...
著者Zhou, D, Zhao, Y, Fry, E.E, Ren, J, Stuart, D.I.
登録日2020-06-16
公開日2020-06-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献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
分子名称: 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, COENZYME A, Propionyl-CoA carboxylase alpha subunit, ...
著者Schuller, J.M, Schuller, S.K, Zarzycki, J, Scheffen, M, Marchal, D.M, Erb, T.J.
登録日2020-03-17
公開日2020-10-28
最終更新日2021-05-12
実験手法ELECTRON MICROSCOPY (1.96 Å)
主引用文献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
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, NeuRonal IgCAM-5
著者Cheng, S, Kurleto, J.D, Ozkan, E.
登録日2019-04-20
公開日2019-05-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.423 Å)
主引用文献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
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, N49P9.1 antibody Fab heavy chain, N49P9.1 antibody Fab light chain, ...
著者Tolbert, W.D, Pazgier, M.
登録日2019-05-15
公開日2020-08-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献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
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C5 alpha chain, Complement C5 beta chain, ...
著者Andersen, G.R, Pedersen, D.V.
登録日2023-02-28
公開日2024-01-03
実験手法X-RAY DIFFRACTION (4.2 Å)
主引用文献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)
分子名称: 17T2 Fab heavy chain, 17T2 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Modrego, A, Carlero, D, Bueno-Carrasco, M.T, Santiago, C, Carolis, C, Arranz, R, Blanco, J, Magri, G.
登録日2023-01-19
公開日2024-01-10
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (4.41 Å)
主引用文献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
分子名称: (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, ...
著者Mattei, S, Ban, A, Picenoni, A, Leibundgut, M, Glockshuber, R, Boehringer, D.
登録日2020-10-27
公開日2020-12-30
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献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)
分子名称: 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, ...
著者Benton, D.J, Rosenthal, P.B.
登録日2020-02-25
公開日2020-06-10
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (5.5 Å)
主引用文献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
分子名称: 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
著者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)
登録日2020-02-25
公開日2020-03-11
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.76 Å)
主引用文献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
分子名称: CHLORIDE ION, Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Shilova, A, Hakansson, M, Welin, M, Kovacic, R, Mueller, U, Logan, D.T.
登録日2020-02-20
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献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
分子名称: DNA (5'-D(*CP*CP*GP*GP*GP*GP*TP*AP*CP*CP*CP*CP*GP*G)-3')
著者Karthik, S, Thirugnanasambandam, A, Mandal, P.K, Gautham, N.
登録日2016-12-22
公開日2017-05-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.406 Å)
主引用文献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
分子名称: 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, ...
著者Lubbe, L, Sewell, B.T, Sturrock, E.D.
登録日2021-10-30
公開日2022-07-20
最終更新日2022-08-24
実験手法ELECTRON MICROSCOPY (4.08 Å)
主引用文献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
分子名称: DIMETHYL SULFOXIDE, N-{[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl}benzamide, Tyrosine-protein kinase BTK
著者Metrick, C.M, Marcotte, D.J.
登録日2020-02-23
公開日2020-12-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献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
分子名称: 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, ...
著者Metrick, C.M, Marcotte, D.J.
登録日2020-02-29
公開日2020-12-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Tumor necrosis factor receptor superfamily member 9
著者Zajonc, D.M, Doukov, T, Bitra, A.
登録日2017-07-21
公開日2017-12-20
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献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
分子名称: (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, ...
著者Koehl, A, Hu, H, Feng, D, Sun, B, Chu, M, Weis, W.I, Skiniotis, G, Mathiesen, J.M, Kobilka, B.K.
登録日2018-11-20
公開日2019-01-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.751 Å)
主引用文献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
分子名称: 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, ...
著者Duyvesteyn, H.M.E, Ren, J, Stuart, D.I.
登録日2021-11-12
公開日2021-12-15
最終更新日2022-01-26
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献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
分子名称: 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, ...
著者Duyvesteyn, H.M.E, Ren, J, Stuart, D.I.
登録日2021-11-12
公開日2021-12-15
最終更新日2022-01-26
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献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
分子名称: (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, ...
著者Armstrong, Z, Davies, G.J.
登録日2022-09-07
公開日2022-12-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献4-O-Substituted Glucuronic Cyclophellitols are Selective Mechanism-Based Heparanase Inhibitors.
Chemmedchem, 18, 2023
8B0C
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Crystal structure of human heparanase in complex with covalent inhibitor VB158
分子名称: (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, ...
著者Armstrong, Z, Davies, G.
登録日2022-09-07
公開日2022-12-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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)
分子名称: 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, ...
著者Ni, D, Lau, K, Turelli, P, Beckert, B, Nazarov, S, Pojer, F, Myasnikov, A, Stahlberg, H, Trono, D.
登録日2021-12-23
公開日2022-01-26
実験手法ELECTRON MICROSCOPY (3.88 Å)
主引用文献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)
分子名称: 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, ...
著者Benton, D.J, Rosenthal, P.B.
登録日2020-02-25
公開日2020-06-10
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (5.6 Å)
主引用文献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
分子名称: Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Hakansson, M, Welin, M, Shilova, A, Kovacic, R, Mueller, U, Logan, D.T.
登録日2020-02-28
公開日2020-07-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献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
分子名称: 1-BUTANOL, Beta-lactamase, GLYCEROL, ...
著者Zhou, Q, He, Y, Jin, Y.
登録日2021-03-04
公開日2022-03-23
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023

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