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7QCH
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BU of 7qch by Molmil
Structure of SARS-CoV-2 Papain-like Protease bound to N-(3,5-dimethoxy-4-hydroxybenzyliden)thiosemicarbazone
Descriptor: CHLORIDE ION, GLYCEROL, N-(3,5-dimetoxy-4-hydroxybenzyliden)thiosemicarbazone, ...
Authors:Ewert, W, Gunther, S, Reinke, P, Falke, S, Lieske, J, Miglioli, F, Carcelli, M, Srinivasan, V, Betzel, C, Han, H, Lorenzen, K, Guenther, C, Niebling, S, Garcia-Alai, M, Hinrichs, W, Rogolino, D, Meents, A.
Deposit date:2021-11-24
Release date:2022-03-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Hydrazones and Thiosemicarbazones Targeting Protein-Protein-Interactions of SARS-CoV-2 Papain-like Protease.
Front Chem, 10, 2022
7SN0
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BU of 7sn0 by Molmil
Crystal structure of spike protein receptor binding domain of escape mutant SARS-CoV-2 from immunocompromised patient (d146*) in complex with human receptor ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Pan, J, Abraham, J, Clark, S.
Deposit date:2021-10-27
Release date:2021-12-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.08 Å)
Cite:Structural basis for continued antibody evasion by the SARS-CoV-2 receptor binding domain.
Science, 375, 2022
8TUX
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BU of 8tux by Molmil
Capsid of mature PP7 virion with 3'end region of PP7 genomic RNA
Descriptor: 3'end of PP7 genomic RNA, Capsid protein, Maturation protein A
Authors:Thongchol, J, Zhang, J, Zeng, L.
Deposit date:2023-08-17
Release date:2024-03-13
Last modified:2024-04-17
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Removal of Pseudomonas type IV pili by a small RNA virus.
Science, 384, 2024
6YAU
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BU of 6yau by Molmil
CRYSTAL STRUCTURE OF ASGPR 1 IN COMPLEX WITH GN-A.
Descriptor: 5-[(2~{R},3~{R},4~{R},5~{R},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-~{N}-[3-(propanoylamino)propyl]pentanamide, Asialoglycoprotein receptor 1, CALCIUM ION
Authors:Schreuder, H.A, Liesum, A.
Deposit date:2020-03-13
Release date:2021-01-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.397 Å)
Cite:Triantennary GalNAc Molecular Imaging Probes for Monitoring Hepatocyte Function in a Rat Model of Nonalcoholic Steatohepatitis.
Adv Sci, 7, 2020
5VYC
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BU of 5vyc by Molmil
Crystal structure of the human 40S ribosomal subunit in complex with DENR-MCT-1.
Descriptor: 40S ribosomal protein S10, 40S ribosomal protein S11, 40S ribosomal protein S12, ...
Authors:Lomakin, I.B, Stolboushkina, E.A, Vaidya, A.T, Garber, M.B, Dmitriev, S.E, Steitz, T.A.
Deposit date:2017-05-24
Release date:2017-07-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (6 Å)
Cite:Crystal Structure of the Human Ribosome in Complex with DENR-MCT-1.
Cell Rep, 20, 2017
6YNZ
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BU of 6ynz by Molmil
Cryo-EM structure of Tetrahymena thermophila mitochondrial ATP synthase - F1Fo composite tetramer model
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Kock Flygaard, R, Muhleip, A, Amunts, A.
Deposit date:2020-04-14
Release date:2020-09-30
Last modified:2020-11-11
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Type III ATP synthase is a symmetry-deviated dimer that induces membrane curvature through tetramerization.
Nat Commun, 11, 2020
6Z7B
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BU of 6z7b by Molmil
Variant Surface Glycoprotein VSGsur bound to suramin
Descriptor: 8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-NAPHTHALENETRISULFON IC ACID, Variant surface glycoprotein Sur, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-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:Zeelen, J.P, Straaten van, M, Stebbins, C.E, Jeffrey, P.
Deposit date:2020-05-30
Release date:2021-03-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structure of trypanosome coat protein VSGsur and function in suramin resistance.
Nat Microbiol, 6, 2021
7AQ1
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BU of 7aq1 by Molmil
Crystal structure of human mature meprin beta in complex with the specific inhibitor MWT-S-270
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:Linnert, M, Parthier, C, Fritz, C.
Deposit date:2020-10-20
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.413 Å)
Cite:Structure and Dynamics of Meprin beta in Complex with a Hydroxamate-Based Inhibitor.
Int J Mol Sci, 22, 2021
4PY5
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BU of 4py5 by Molmil
Thermovibrio ammonificans RNase H3 in complex with 19-mer RNA/DNA
Descriptor: 5'-D(*GP*GP*AP*AP*TP*CP*AP*GP*GP*TP*GP*TP*CP*GP*CP*AP*CP*TP*C)-3', 5'-R(*GP*AP*GP*UP*GP*CP*GP*AP*CP*AP*CP*CP*UP*GP*AP*UP*UP*CP*C)-3', GLYCEROL, ...
Authors:Figiel, M, Nowotny, M.
Deposit date:2014-03-26
Release date:2014-07-30
Last modified:2014-10-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of RNase H3-substrate complex reveals parallel evolution of RNA/DNA hybrid recognition.
Nucleic Acids Res., 42, 2014
1AGO
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BU of 1ago by Molmil
THE SOLUTION NMR STRUCTURE OF AN (S)-A-(N6-ADENYL)-STYRENE OXIDE-RAS61 OLIGODEOXYNUCLEOTIDE MODIFIED AT THE THIRD POSITION OF THE CODON 61 REGION, MINIMIZED AVERAGE STRUCTURE
Descriptor: DNA (5'-D(*CP*GP*GP*AP*CP*AP*YP*GP*AP*AP*G)-3'), DNA (5'-D(*CP*TP*TP*CP*TP*TP*GP*TP*CP*CP*G)-3')
Authors:Feng, B, Stone, M.P.
Deposit date:1997-03-25
Release date:1997-08-20
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Major groove (S)-alpha-(N6-adenyl)styrene oxide adducts in an oligodeoxynucleotide containing the human N-ras codon 61 sequence: conformations of the S(61,2) and S(61,3) sequence isomers from 1H NMR.
Biochemistry, 35, 1996
6EKC
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BU of 6ekc by Molmil
Crystal structure of the BSD2 homolog of Arabidopsis thaliana bound to the octameric assembly of RbcL from Thermosynechococcus elongatus
Descriptor: DnaJ/Hsp40 cysteine-rich domain superfamily protein, Ribulose bisphosphate carboxylase large chain, ZINC ION
Authors:Aigner, H, Wilson, R.H, Bracher, A, Calisse, L, Bhat, J.Y, Hartl, F.U, Hayer-Hartl, M.
Deposit date:2017-09-26
Release date:2017-12-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Plant RuBisCo assembly in E. coli with five chloroplast chaperones including BSD2.
Science, 358, 2017
5YC5
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BU of 5yc5 by Molmil
Crystal structure of human IgG-Fc in complex with aglycan and optimized Fc gamma receptor IIIa
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Immunoglobulin gamma-1 heavy chain, ...
Authors:Caaveiro, J.M.M, Tamura, H, Tsumoto, K, Kiyoshi, M.
Deposit date:2017-09-06
Release date:2018-03-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Assessing the Heterogeneity of the Fc-Glycan of a Therapeutic Antibody Using an engineered Fc gamma Receptor IIIa-Immobilized Column.
Sci Rep, 8, 2018
1U6N
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BU of 1u6n by Molmil
Solution Structure of an Oligodeoxynucleotide Containing a Butadiene Derived N1 b-Hydroxyalkyl Adduct on Deoxyinosine in the Human N-ras Codon 61 Sequence
Descriptor: 5'-D(*CP*GP*GP*AP*CP*(2BD)P*AP*GP*AP*AP*G)-3', 5'-D(*CP*TP*TP*CP*TP*TP*GP*TP*CP*CP*G)-3'
Authors:Scholdberg, T.A, Merritt, W.K, Dean, S.M, Kowalcyzk, A, Harris, T.M, Harris, C.M, Lloyd, R.S, Stone, M.P.
Deposit date:2004-07-30
Release date:2004-08-10
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of an Oligodeoxynucleotide Containing a Butadiene Oxide-Derived N1 Beta-Hydroxyalkyl Deoxyinosine Adduct in the Human N-ras Codon 61 Sequence.
Biochemistry, 44, 2005
3AY4
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BU of 3ay4 by Molmil
Crystal structure of nonfucosylated Fc complexed with bis-glycosylated soluble form of Fc gamma receptor IIIa
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-1 chain C region, Low affinity immunoglobulin gamma Fc region receptor III-A, ...
Authors:Mizushima, T, Takemoto, E, Yagi, H, Shibata-Koyama, M, Isoda, Y, Iida, S, Satoh, M, Kato, K.
Deposit date:2011-04-28
Release date:2011-08-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for improved efficacy of therapeutic antibodies on defucosylation of their Fc glycans
Genes Cells, 16, 2011
3B2D
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BU of 3b2d by Molmil
Crystal structure of human RP105/MD-1 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CD180 antigen, ...
Authors:Ohto, U, Shimizu, T.
Deposit date:2011-07-29
Release date:2011-11-09
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structures of Mouse and Human RP105/MD-1 Complexes Reveal Unique Dimer Organization of the Toll-Like Receptor Family.
J.Mol.Biol., 413, 2011
1XYD
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BU of 1xyd by Molmil
NMR Solution Structure of Rat Zinc-Calcium-S100B, 20 Structures
Descriptor: CALCIUM ION, S-100 protein, beta chain, ...
Authors:Wilder, P.T, Varney, K.M, Weber, D.J.
Deposit date:2004-11-09
Release date:2005-06-07
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution Structure of Zinc- and Calcium-Bound Rat S100B as Determined by Nuclear Magnetic Resonance Spectroscopy
Biochemistry, 44, 2005
6CDI
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BU of 6cdi by Molmil
Cryo-EM structure at 3.6 A resolution of vaccine-elicited antibody vFP16.02 in complex with HIV-1 Env BG505 DS-SOSIP, and antibodies VRC03 and PGT122
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein 120, ...
Authors:Acharya, P, Xu, K, Liu, K, Carragher, B, Potter, C.S, Kwong, P.D.
Deposit date:2018-02-08
Release date:2018-05-16
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1.
Nat. Med., 24, 2018
4WO5
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BU of 4wo5 by Molmil
Crystal structure of a BRAF kinase domain monomer
Descriptor: N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide, Serine/threonine-protein kinase B-raf
Authors:Critton, D.A.
Deposit date:2014-10-15
Release date:2014-12-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Crystal structure of a BRAF kinase domain monomer explains basis for allosteric regulation.
Nat.Struct.Mol.Biol., 22, 2015
4X4M
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BU of 4x4m by Molmil
Structure of FcgammaRI in complex with Fc reveals the importance of glycan recognition for high affinity IgG binding
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[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)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lu, J, Sun, P.D.
Deposit date:2014-12-03
Release date:2015-04-08
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.485 Å)
Cite:Structure of Fc gamma RI in complex with Fc reveals the importance of glycan recognition for high-affinity IgG binding.
Proc.Natl.Acad.Sci.USA, 112, 2015
5FJJ
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BU of 5fjj by Molmil
Three-dimensional structures of two heavily N-glycosylated Aspergillus sp. Family GH3 beta-D-glucosidases
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-GLUCOSIDASE, ...
Authors:Agirre, J, Ariza, A, Offen, W.A, Turkenburg, J.P, Roberts, S.M, McNicholas, S, Harris, P.V, McBrayer, B, Dohnalek, J, Cowtan, K.D, Davies, G.J, Wilson, K.S.
Deposit date:2015-10-09
Release date:2016-02-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Three-Dimensional Structures of Two Heavily N-Glycosylated Aspergillus Sp. Family Gh3 Beta-D-Glucosidases
Acta Crystallogr.,Sect.D, 72, 2016
3HLA
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BU of 3hla by Molmil
HUMAN CLASS I HISTOCOMPATIBILITY ANTIGEN A2.1
Descriptor: BETA 2-MICROGLOBULIN, CLASS I HISTOCOMPATIBILITY ANTIGEN (HLA-A2.1) (ALPHA CHAIN)
Authors:Saper, M.A, Bjorkman, P.J, Wiley, D.C.
Deposit date:1989-10-06
Release date:1990-04-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Refined structure of the human histocompatibility antigen HLA-A2 at 2.6 A resolution.
J.Mol.Biol., 219, 1991
2B8H
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BU of 2b8h by Molmil
A/NWS/whale/Maine/1/84 (H1N9) reassortant influenza virus neuraminidase
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:Smith, B.J, Platis, D, Cox, M.M.J, Huyton, T, Joosten, R.P, McKimm-Breschkin, J.L, Zhang, J.-G, Luo, C.S, Lou, M.-Z, Garrett, T.P.J, Labrou, N.E.
Deposit date:2005-10-07
Release date:2006-09-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of a calcium-deficient form of influenza virus neuraminidase: implications for substrate binding.
Acta Crystallogr.,Sect.D, 62, 2006
3FN3
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BU of 3fn3 by Molmil
Dimeric Structure of PD-L1
Descriptor: Programmed cell death 1 ligand 1
Authors:Chen, Y, Gao, F, Liu, P, Chu, F, Qi, J, Gao, G.F.
Deposit date:2008-12-23
Release date:2009-12-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A dimeric structure of PD-L1: functional units or evolutionary relics?
Protein Cell, 1, 2010
2BVK
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BU of 2bvk by Molmil
Hyaluronan: the local solution conformation determined by NMR and computer modelling is close to a contracted left-handed four-fold helix
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid
Authors:Almond, A, DeAngelis, P.L, Blundell, C.D.
Deposit date:2005-06-30
Release date:2006-10-30
Last modified:2024-05-15
Method:SOLUTION NMR, THEORETICAL MODEL
Cite:Hyaluronan: The Local Solution Conformation Determined by NMR and Computer Modeling is Close to a Contracted Left-Handed 4-Fold Helix.
J.Mol.Biol., 358, 2006
3J3Y
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BU of 3j3y by Molmil
Atomic-level structure of the entire HIV-1 capsid (186 hexamers + 12 pentamers)
Descriptor: capsid protein
Authors:Perilla, J.R, Zhao, G, Zhang, P, Schulten, K.J.
Deposit date:2013-05-06
Release date:2013-05-29
Last modified:2018-07-18
Method:ELECTRON MICROSCOPY
Cite:Mature HIV-1 capsid structure by cryo-electron microscopy and all-atom molecular dynamics.
Nature, 497, 2013

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