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8HGM
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BU of 8hgm by Molmil
Structure of SARS-CoV-2 spike RBD in complex with neutralizing antibody NIV-11
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, NIV-11 Fab heavy chain, NIV-11 Fab light chain, ...
Authors:Moriyama, S, Anraku, Y, Muranishi, S, Adachi, Y, Kuroda, D, Higuchi, Y, Kotaki, R, Tonouchi, K, Yumoto, K, Suzuki, T, Kita, S, Someya, T, Fukuhara, H, Kuroda, Y, Yamamoto, T, Onodera, T, Fukushi, S, Maeda, K, Nakamura-Uchiyama, F, Hashiguchi, T, Hoshino, A, Maenaka, K, Takahashi, Y.
Deposit date:2022-11-15
Release date:2023-10-25
Last modified:2024-09-25
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural delineation and computational design of SARS-CoV-2-neutralizing antibodies against Omicron subvariants.
Nat Commun, 14, 2023
8S9H
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BU of 8s9h by Molmil
Crystal structure of monkey TLR7 ectodomain with compound 14
Descriptor: (3S)-3-{[5-amino-1-({3-methoxy-5-[1-(oxan-4-yl)piperidin-4-yl]pyridin-2-yl}methyl)-1H-pyrazolo[4,3-d]pyrimidin-7-yl]amino}hexan-1-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:Critton, D.A.
Deposit date:2023-03-28
Release date:2024-02-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.437 Å)
Cite:Identification and Optimization of Small Molecule Pyrazolopyrimidine TLR7 Agonists for Applications in Immuno-oncology.
Acs Med.Chem.Lett., 15, 2024
6ZQU
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BU of 6zqu by Molmil
Cryo-EM structure of mature Dengue virus 2 at 3.1 angstrom resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Genome polyprotein
Authors:Renner, M, Dejnirattisai, W, Carrique, L, Serna Martin, I, Karia, D, Ilca, S.L, Ho, S.F, Kotecha, A, Keown, J.R, Mongkolsapaya, J, Screaton, G.R, Grimes, J.M.
Deposit date:2020-07-10
Release date:2021-01-20
Last modified:2021-08-04
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Flavivirus maturation leads to the formation of an occupied lipid pocket in the surface glycoproteins.
Nat Commun, 12, 2021
7A5R
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BU of 7a5r by Molmil
Complex of SARS-CoV-2 spike and CR3022 Fab (Non-Uniform Refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CR3022 Fab Heavy Chain, CR3022 Fab Light Chain, ...
Authors:Wrobel, A.G, Benton, D.J, Rosenthal, P.B, Gamblin, S.J.
Deposit date:2020-08-21
Release date:2020-09-16
Last modified:2020-11-04
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Antibody-mediated disruption of the SARS-CoV-2 spike glycoprotein.
Nat Commun, 11, 2020
8F9P
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BU of 8f9p by Molmil
Dog sialic acid esterase (SIAE) inactive mutant S128A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Ide, D, Gorelik, A, Illes, K, Nagar, B.
Deposit date:2022-11-24
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Dog sialic acid esterase (SIAE) inactive mutant S128A
To Be Published
8PVB
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BU of 8pvb by Molmil
Structure of GABAAR determined by cryoEM at 100 keV
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, DECANE, ...
Authors:McMullan, G, Naydenova, K, Mihaylov, D, Peet, M.J, Wilson, H, Yamashita, K, Dickerson, J.L, Chen, S, Cannone, G, Lee, Y, Hutchings, K.A, Gittins, O, Sobhy, M, Wells, T, El-Gomati, M.M, Dalby, J, Meffert, M, Schulze-Briese, C, Henderson, R, Russo, C.J.
Deposit date:2023-07-17
Release date:2023-11-29
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure determination by cryoEM at 100 keV.
Proc.Natl.Acad.Sci.USA, 120, 2023
7A5S
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BU of 7a5s by Molmil
Complex of SARS-CoV-2 spike and CR3022 Fab (Homogeneous Refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CR3022 Fab Heavy Chain, CR3022 Fab Light Chain, ...
Authors:Wrobel, A.G, Benton, D.J, Rosenthal, P.B, Gamblin, S.J.
Deposit date:2020-08-21
Release date:2020-09-16
Last modified:2020-11-04
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Antibody-mediated disruption of the SARS-CoV-2 spike glycoprotein.
Nat Commun, 11, 2020
7A92
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BU of 7a92 by Molmil
Dissociated S1 domain of SARS-CoV-2 Spike bound to ACE2 (Unmasked Refinement)
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 2, ...
Authors:Benton, D.J, Wrobel, A.G, Rosenthal, P.B, Gamblin, S.J.
Deposit date:2020-09-01
Release date:2020-09-30
Last modified:2020-12-16
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Receptor binding and priming of the spike protein of SARS-CoV-2 for membrane fusion.
Nature, 588, 2020
6XJQ
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BU of 6xjq by Molmil
Crystal structure of a self-alkylating ribozyme - alkylated form with biotinylated epoxide substrate
Descriptor: 2-{[(4R)-4-hydroxyhexyl]oxy}ethyl 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoate, Fab HAVx Heavy Chain, Fab HAVx Light Chain, ...
Authors:Koirala, D, Piccirilli, J.A.
Deposit date:2020-06-24
Release date:2022-01-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.708 Å)
Cite:Structural basis for substrate binding and catalysis by a self-alkylating ribozyme.
Nat.Chem.Biol., 18, 2022
7A94
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BU of 7a94 by Molmil
SARS-CoV-2 Spike Glycoprotein with 1 ACE2 Bound
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike glycoprotein, ...
Authors:Benton, D.J, Wrobel, A.G, Rosenthal, P.B, Gamblin, S.J.
Deposit date:2020-09-01
Release date:2020-09-16
Last modified:2020-12-16
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Receptor binding and priming of the spike protein of SARS-CoV-2 for membrane fusion.
Nature, 588, 2020
8PAG
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BU of 8pag by Molmil
Crystal structure of the ectodomain of Norway rat pestivirus E2 glycoprotein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Genome polyprotein, 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:Aitkenhead, H, Stuart, D.I, EL Omari, K.
Deposit date:2023-06-07
Release date:2024-03-27
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural comparison of typical and atypical E2 pestivirus glycoproteins.
Structure, 32, 2024
5KZX
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BU of 5kzx by Molmil
Crystal structure of human GAA
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Deming, D.T, Garman, S.C.
Deposit date:2016-07-25
Release date:2017-07-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:The structure of human GAA: structural basis of Pompe disease
To be published
5KZC
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BU of 5kzc by Molmil
Crystal structure of an HIV-1 gp120 engineered outer domain with a Man9 glycan at position N276, in complex with broadly neutralizing antibody VRC01
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Engineered outer domain of gp120, VRC01 Fab heavy chain, ...
Authors:Julien, J.-P, Jardine, J.G, Diwanji, D, Schief, W.R, Wilson, I.A.
Deposit date:2016-07-24
Release date:2016-08-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Minimally Mutated HIV-1 Broadly Neutralizing Antibodies to Guide Reductionist Vaccine Design.
Plos Pathog., 12, 2016
5L0B
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BU of 5l0b by Molmil
Crystal Structure of Autotaxin and Compound 1
Descriptor: 1-{2-[(2,3-dihydro-1H-inden-2-yl)amino]-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl}ethan-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Durbin, J.D.
Deposit date:2016-07-27
Release date:2016-08-10
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Novel Autotaxin Inhibitors for the Treatment of Osteoarthritis Pain: Lead Optimization via Structure-Based Drug Design.
Acs Med.Chem.Lett., 7, 2016
8OG4
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BU of 8og4 by Molmil
Exostosin-like 3 UDP complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Exostosin-like 3, MANGANESE (II) ION, ...
Authors:Sammon, D, Hohenester, E.
Deposit date:2023-03-18
Release date:2023-07-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular mechanism of decision-making in glycosaminoglycan biosynthesis.
Nat Commun, 14, 2023
6YUP
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BU of 6yup by Molmil
Heterotetrameric structure of the rBAT-b(0,+)AT1 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neutral and basic amino acid transport protein rBAT, ...
Authors:Wu, D, Safarian, S, Michel, H.
Deposit date:2020-04-27
Release date:2021-01-20
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis for amino acid exchange by a human heteromeric amino acid transporter.
Proc.Natl.Acad.Sci.USA, 117, 2020
6I53
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BU of 6i53 by Molmil
Cryo-EM structure of the human synaptic alpha1-beta3-gamma2 GABAA receptor in complex with Megabody38 in a lipid nanodisc
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit alpha-1, ...
Authors:Laverty, D, Desai, R, Uchanski, T, Masiulis, S, Wojciech, J.S, Malinauskas, T, Zivanov, J, Pardon, E, Steyaert, J, Miller, K.W, Aricescu, A.R.
Deposit date:2018-11-12
Release date:2019-01-02
Last modified:2022-03-30
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structure of the human alpha 1 beta 3 gamma 2 GABAAreceptor in a lipid bilayer.
Nature, 565, 2019
8RKH
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BU of 8rkh by Molmil
Crystal structure of the ZP-N2 and ZP-N3 domains of mouse ZP2 (mZP2-N2N3)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Zona pellucida sperm-binding protein 2, ...
Authors:Fahrenkamp, D, de Sanctis, D, Jovine, L.
Deposit date:2023-12-25
Release date:2024-03-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:ZP2 cleavage blocks polyspermy by modulating the architecture of the egg coat.
Cell, 187, 2024
8GDK
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BU of 8gdk by Molmil
Crystal Structure of HIV-1 LM/HT CLADE A/E CRF01 GP120 Core in Complex with TFH-II-151
Descriptor: (3S,5R)-N-(4-chloro-3-fluorophenyl)-5-(hydroxymethyl)-1-[(3R,5S)-3,4,5-trimethylpiperazine-1-carbonyl]piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Tolbert, W.D, Nguyen, D.N, Pazgier, M.
Deposit date:2023-03-06
Release date:2024-03-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal Structure of HIV-1 LM/HT CLADE A/E CRF01 GP120 Core in Complex with TFH-II-151
To Be Published
8C29
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BU of 8c29 by Molmil
Cryo-EM structure of photosystem II C2S2 supercomplex from Norway spruce (Picea abies) at 2.8 Angstrom resolution
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-4,8,12-TRIMETHYLTRIDECYL]CHROMAN-6-OL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
Authors:Kopecny, D, Semchonok, D.A, Kouril, R.
Deposit date:2022-12-21
Release date:2023-07-26
Last modified:2023-08-30
Method:ELECTRON MICROSCOPY (2.785 Å)
Cite:Cryo-EM structure of a plant photosystem II supercomplex with light-harvesting protein Lhcb8 and alpha-tocopherol.
Nat.Plants, 9, 2023
8GDJ
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BU of 8gdj by Molmil
Crystal Structure of HIV-1 LM/HT CLADE A/E CRF01 GP120 Core in Complex with TFH-II-128
Descriptor: (3S,5R)-N-(4-chloro-3-fluorophenyl)-5-(hydroxymethyl)-1-(4-methylpiperazine-1-carbonyl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Nguyen, D.N, Tolbert, W.D, Pazgier, M.
Deposit date:2023-03-06
Release date:2024-03-20
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Crystal Structure of HIV-1 LM/HT CLADE A/E CRF01 GP120 Core in Complex with TFH-II-128
To Be Published
8OPN
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BU of 8opn by Molmil
Human Coronavirus HKU1 spike glycoprotein in complex with an alpha2,8-linked 9-O-acetylated disialoside (1-up 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, 9-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid-(2-8)-N-acetyl-alpha-neuraminic acid, ...
Authors:Pronker, M.F, Creutznacher, R, Hurdiss, D.L.
Deposit date:2023-04-07
Release date:2023-08-02
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Sialoglycan binding triggers spike opening in a human coronavirus.
Nature, 624, 2023
8OPO
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BU of 8opo by Molmil
Human Coronavirus HKU1 spike glycoprotein in complex with an alpha2,8-linked 9-O-acetylated disialoside (3-up 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, 9-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid-(2-8)-N-acetyl-alpha-neuraminic acid, ...
Authors:Pronker, M.F, Creutznacher, R, Hurdiss, D.L.
Deposit date:2023-04-07
Release date:2023-08-02
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Sialoglycan binding triggers spike opening in a human coronavirus.
Nature, 624, 2023
8OPM
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BU of 8opm by Molmil
Human Coronavirus HKU1 spike glycoprotein in complex with an alpha2,8-linked 9-O-acetylated disialoside (closed 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, 9-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid-(2-8)-N-acetyl-alpha-neuraminic acid, ...
Authors:Pronker, M.F, Creutznacher, R, Hurdiss, D.L.
Deposit date:2023-04-07
Release date:2023-08-02
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Sialoglycan binding triggers spike opening in a human coronavirus.
Nature, 624, 2023
6ZDL
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BU of 6zdl by Molmil
Structure of the catalytic domain of human endo-alpha-mannosidase MANEA in complex with GlcIFG 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:2020-06-14
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of human endo-alpha-1,2-mannosidase (MANEA), an antiviral host-glycosylation target.
Proc.Natl.Acad.Sci.USA, 117, 2020

225399

數據於2024-09-25公開中

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