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2X4P
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BU of 2x4p by Molmil
Crystal structure of MHC CLass I HLA-A2.1 bound to a photocleavable peptide
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BETA-2-MICROGLOBULIN, GLYCEROL, ...
Authors:Celie, P.H.N, Toebes, M, Rodenko, B, Ovaa, H, Perrakis, A, Schumacher, T.N.M.
Deposit date:2010-02-02
Release date:2010-03-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Class I Major Histocompatibility Complexes Loaded by a Periodate Trigger.
J.Am.Chem.Soc., 131, 2009
6WNV
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BU of 6wnv by Molmil
70S ribosome without free 5S rRNA and with a perturbed PTC
Descriptor: 16S ribosomal RNA, 23s-5s joint ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Loveland, A.B, Korostelev, A.A, Mankin, A.S, Huang, S, Aleksashin, N.A, Klepacki, D, Reier, K, Kefi, A, Szal, A, Remme, J, Jaeger, L, Vazquez-Laslop, N.
Deposit date:2020-04-23
Release date:2020-06-24
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Ribosome engineering reveals the importance of 5S rRNA autonomy for ribosome assembly.
Nat Commun, 11, 2020
8CQI
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BU of 8cqi by Molmil
Human heparanase in complex with inhibitor R3794
Descriptor: (3~{S},4~{S})-4,5,5-tris(oxidanyl)piperidine-3-carboxylic acid, 1,2-ETHANEDIOL, 1,5-anhydro-D-arabinitol, ...
Authors:Moran, E.M, Davies, G.J, Chen, C, Nieuwendijk, E.V, Wu, L, Skoulikopoulou, F, Riet, V.V, Overkleeft, H.S, Armstrong, Z.
Deposit date:2023-03-06
Release date:2024-01-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B.
J.Am.Chem.Soc., 146, 2024
7TTV
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BU of 7ttv by Molmil
E.coli DsbA in complex with 4-phenyl-2-(3-phenylpropyl)thiazole-5-carboxylic acid
Descriptor: 4-phenyl-2-(3-phenylpropyl)-1,3-thiazole-5-carboxylic acid, COPPER (II) ION, Thiol:disulfide interchange protein DsbA
Authors:Wang, G, Heras, B.
Deposit date:2022-02-02
Release date:2023-04-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Methyl probes in proteins for determining ligand binding mode in weak protein-ligand complexes.
Sci Rep, 12, 2022
8GC1
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BU of 8gc1 by Molmil
Crystal structure of the unmutated common ancestor (UCA) of the PC39-1 anti-HIV broadly neutralizing antibody lineage
Descriptor: PC39-1 UCA Fab heavy chain, PC39-1 UCA Fab light chain
Authors:Murrell, S, Omorodion, O, Wilson, I.A.
Deposit date:2023-02-28
Release date:2023-06-07
Last modified:2023-07-12
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Antigen pressure from two founder viruses induces multiple insertions at a single antibody position to generate broadly neutralizing HIV antibodies.
Plos Pathog., 19, 2023
8GSX
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BU of 8gsx by Molmil
X-ray structure of Clostridium perfringens pili protein B collagen-binding domains
Descriptor: ACETATE ION, pili protein
Authors:Kamitori, S, Yamada, M, Tamai, E.
Deposit date:2022-09-07
Release date:2023-06-07
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Structural and biochemical characterization of Clostridium perfringens pili protein B collagen-binding domains.
Febs Lett., 597, 2023
4PXO
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BU of 4pxo by Molmil
Crystal structure of Maleylacetoacetate isomerase from Methylobacteriu extorquens AM1 WITH BOUND MALONATE AND GSH (TARGET EFI-507068)
Descriptor: 1,2-ETHANEDIOL, GLUTATHIONE, MALONIC ACID, ...
Authors:Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Imker, H.J, Al Obaidi, N, Stead, M, Love, J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2014-03-24
Release date:2014-04-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of glutathione s-transferase zeta from Methylobacterium extorquens (TARGET EFI-507068)
To be Published
7Q64
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BU of 7q64 by Molmil
Cryo-em structure of the Nup98 fibril polymorph 1
Descriptor: Nuclear pore complex protein Nup98
Authors:Ibanez de Opakua, A, Geraets, J.A, Frieg, B, Dienemann, C, Savastano, A, Rankovic, M, Cima-Omori, M.-S, Schroeder, G.F, Zweckstetter, M.
Deposit date:2021-11-05
Release date:2022-10-12
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.76 Å)
Cite:Molecular interactions of FG nucleoporin repeats at high resolution.
Nat.Chem., 14, 2022
8GBZ
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BU of 8gbz by Molmil
Crystal structure of PC39-55C, an anti-HIV broadly neutralizing antibody
Descriptor: DI(HYDROXYETHYL)ETHER, PC39-55C Fab heavy chain, PC39-55C Fab light chain
Authors:Murrell, S, Omorodion, O, Wilson, I.A.
Deposit date:2023-02-28
Release date:2023-06-07
Last modified:2023-07-12
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Antigen pressure from two founder viruses induces multiple insertions at a single antibody position to generate broadly neutralizing HIV antibodies.
Plos Pathog., 19, 2023
6X0R
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BU of 6x0r by Molmil
A Circular Permutant of the Tobacco Mosaic Virus (TMV) mutant Q101H
Descriptor: Capsid protein Circular Permutant
Authors:Dai, J, Knott, G.J, Francis, M.B.
Deposit date:2020-05-17
Release date:2020-12-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Protein-Embedded Metalloporphyrin Arrays Templated by Circularly Permuted Tobacco Mosaic Virus Coat Proteins.
Acs Nano, 15, 2021
6X19
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BU of 6x19 by Molmil
Non peptide agonist CHU-128, bound to Glucagon-Like peptide-1 (GLP-1) Receptor
Descriptor: 3-{(1S)-1-[5-(2,2-dimethylmorpholin-4-yl)-2-{(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1H-indazol-5-yl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl}-1H-indol-1-yl]butyl}-1,2,4-oxadiazol-5(4H)-one, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Belousoff, M.J, Zhang, X, Danev, R.
Deposit date:2020-05-18
Release date:2020-09-09
Last modified:2020-11-18
Method:ELECTRON MICROSCOPY (2.1 Å)
Cite:Differential GLP-1R Binding and Activation by Peptide and Non-peptide Agonists.
Mol.Cell, 80, 2020
8DLY
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BU of 8dly by Molmil
Cryo-EM structure of SARS-CoV-2 Epsilon (B.1.429) spike protein in complex with VH ab6 (focused refinement of NTD and VH ab6)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, VH ab6
Authors:Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Subramaniam, S.
Deposit date:2022-07-08
Release date:2022-08-31
Method:ELECTRON MICROSCOPY (3 Å)
Cite:SARS-CoV-2 variants of concern: spike protein mutational analysis and epitope for broad neutralization.
Nat Commun, 13, 2022
6Y0L
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BU of 6y0l by Molmil
Crystal structure of human CD23 lectin domain N225D, K229E, S252N, T251N, R253G, S254G mutant
Descriptor: GLYCEROL, Low affinity immunoglobulin epsilon Fc receptor membrane-bound form, SULFATE ION
Authors:Ilkow, V.F, Davies, A.M, Sutton, B.J, McDonnell, J.M.
Deposit date:2020-02-09
Release date:2021-06-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Reviving lost binding sites: Exploring calcium-binding site transitions between human and murine CD23.
Febs Open Bio, 11, 2021
6Y0M
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BU of 6y0m by Molmil
Crystal structure of human CD23 lectin domain N225D, K229E, S252N, T251N mutant
Descriptor: Low affinity immunoglobulin epsilon Fc receptor membrane-bound form
Authors:Ilkow, V.F, Davies, A.M, Sutton, B.J, McDonnell, J.M.
Deposit date:2020-02-09
Release date:2021-06-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Reviving lost binding sites: Exploring calcium-binding site transitions between human and murine CD23.
Febs Open Bio, 11, 2021
8DLL
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BU of 8dll by Molmil
Cryo-EM structure of SARS-CoV-2 Beta (B.1.351) spike protein
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:Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Subramaniam, S.
Deposit date:2022-07-08
Release date:2022-08-31
Method:ELECTRON MICROSCOPY (2.56 Å)
Cite:SARS-CoV-2 variants of concern: spike protein mutational analysis and epitope for broad neutralization.
Nat Commun, 13, 2022
8DLI
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BU of 8dli by Molmil
Cryo-EM structure of SARS-CoV-2 Alpha (B.1.1.7) spike protein
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:Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Zhou, S, Tuttle, K.S, Subramaniam, S.
Deposit date:2022-07-08
Release date:2022-08-31
Method:ELECTRON MICROSCOPY (2.56 Å)
Cite:SARS-CoV-2 variants of concern: spike protein mutational analysis and epitope for broad neutralization.
Nat Commun, 13, 2022
6GQT
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BU of 6gqt by Molmil
KRAS-169 Q61H GPPNHP + PPIN-2
Descriptor: CITRIC ACID, GTPase KRas, MAGNESIUM ION, ...
Authors:Cruz-Migoni, A, Canning, P, Quevedo, C.E, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H.
Deposit date:2018-06-08
Release date:2019-02-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
5MWV
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BU of 5mwv by Molmil
Solid-state NMR Structure of outer membrane protein G in lipid bilayers
Descriptor: Outer membrane protein G
Authors:Retel, J.S, Nieuwkoop, A.J, Hiller, M, Higman, V.A, Barbet-Massin, E, Stanek, J, Andreas, L.B, Franks, W.T, van Rossum, B.-J, Vinothkumar, K.R, Handel, L, de Palma, G.G, Bardiaux, B, Pintacuda, G, Emsley, L, Kuelbrandt, W, Oschkinat, H.
Deposit date:2017-01-20
Release date:2017-12-27
Last modified:2024-05-15
Method:SOLID-STATE NMR
Cite:Structure of outer membrane protein G in lipid bilayers.
Nat Commun, 8, 2017
6TYS
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BU of 6tys by Molmil
A potent cross-neutralizing antibody targeting the fusion glycoprotein inhibits Nipah virus and Hendra virus infection
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5B3 antibody heavy chain, ...
Authors:Dang, H.V, Chan, Y.P, Park, Y.J, Snijder, J, Da Silva, S.C, Vu, B, Yan, L, Feng, Y.R, Rockx, B, Geisbert, T, Mire, C.E, Broder, C.B, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2019-08-09
Release date:2019-10-09
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:An antibody against the F glycoprotein inhibits Nipah and Hendra virus infections.
Nat.Struct.Mol.Biol., 26, 2019
8QXC
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BU of 8qxc by Molmil
Crystal structure of antibody Fab MIL-3 with PenG-Lys
Descriptor: (2R,4S)-2-[(1R)-2-[[(5S)-5-acetamido-6-oxidanyl-6-oxidanylidene-hexyl]amino]-2-oxidanylidene-1-(2-phenylethanoylamino)ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Heavy chain of FAB MIL-3, Light chain of FAB MIL-3
Authors:Moynie, L, Naismith, J.H.
Deposit date:2023-10-24
Release date:2024-07-31
Last modified:2024-08-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Covalent penicillin-protein conjugates elicit anti-drug antibodies that are clonally and functionally restricted.
Nat Commun, 15, 2024
6DZG
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BU of 6dzg by Molmil
Crystal structure of polyphosphate kinase 2 class I (SMc02148) in complex with ADP
Descriptor: ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, D-MALATE, ...
Authors:Nocek, B, Joachimiak, A, Ruszkowski, M, Midwest Center for Structural Genomics (MCSG)
Deposit date:2018-07-03
Release date:2019-07-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structural insights into substrate selectivity and activity of bacterial polyphosphate kinases
To Be Published
6WMU
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BU of 6wmu by Molmil
E. coli RNAPs70-SspA-gadA DNA complex
Descriptor: DNA NT-strand, DNA NT-strand downstream, DNA T-strand, ...
Authors:Travis, B.A, Brennan, R.G, Schumacher, M.A.
Deposit date:2020-04-21
Release date:2020-11-11
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:Structural Basis for Virulence Activation of Francisella tularensis.
Mol.Cell, 81, 2021
6TZQ
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BU of 6tzq by Molmil
A DNA G-quadruplex/i-motif hybrid
Descriptor: BARIUM ION, DNA (5'-D(*CP*CP*AP*GP*GP*CP*TP*GP*CP*AP*A)-3')
Authors:Chu, B, Paukstelis, P.J.
Deposit date:2019-08-13
Release date:2019-10-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:A DNA G-quadruplex/i-motif hybrid.
Nucleic Acids Res., 47, 2019
6Y0G
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BU of 6y0g by Molmil
Structure of human ribosome in classical-PRE state
Descriptor: 18S ribosomal RNA, 28S ribosomal RNA, 4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione, ...
Authors:Bhaskar, V, Schenk, A.D, Cavadini, S, von Loeffelholz, O, Natchiar, S.K, Klaholz, B.P, Chao, J.A.
Deposit date:2020-02-07
Release date:2020-04-15
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Dynamics of uS19 C-Terminal Tail during the Translation Elongation Cycle in Human Ribosomes.
Cell Rep, 31, 2020
8E1F
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BU of 8e1f by Molmil
Sterile Alpha Motif Domain of Human Translocation ETS Leukemia, Non-Polymer Crystal Form
Descriptor: CHLORIDE ION, MAGNESIUM ION, SULFATE ION, ...
Authors:Wilson, E, Nawarathnage, S, Stewart, C, Brown, S, Bezzant, B, Bunn, D, Towne, N, Pedroza Romo, M.J, Moody, J.D.
Deposit date:2022-08-10
Release date:2022-09-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Sterile Alpha Motif Domain of Human Translocation ETS Leukemia, Non-Polymer Crystal Form
To Be Published

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