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5KDS
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BU of 5kds by Molmil
ZmpB metallopeptidase in complex with an O-glycopeptide (a2,6-sialylated core-3 pentapeptide).
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-[N-acetyl-alpha-neuraminic acid-(2-6)]2-acetamido-2-deoxy-alpha-D-galactopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Noach, I, Ficko-Blean, E, Stuart, C, Boraston, A.B.
Deposit date:2016-06-08
Release date:2017-01-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Recognition of protein-linked glycans as a determinant of peptidase activity.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4OSF
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BU of 4osf by Molmil
4-(2-isothiocyanatoethyl)phenol inhibitor complexed with Macrophage Migration Inhibitory Factor
Descriptor: CHLORIDE ION, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
Authors:Spencer, E.S, Dale, E.J, Gommans, A.L, Vo, C.T, Rutledge, M.T, Nakatani, Y, Gamble, A.B, Smith, R.A.J, Wilbanks, S.M, Hampton, M.B, Tyndall, J.D.A.
Deposit date:2014-02-12
Release date:2014-03-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Multiple binding modes of isothiocyanates that inhibit macrophage migration inhibitory factor
Eur.J.Med.Chem., 93, 2015
4NHG
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BU of 4nhg by Molmil
Crystal Structure of 2G12 IgG Dimer
Descriptor: 2G12 IgG dimer heavy chain, 2G12 IgG dimer light chain, Hepatitis B virus receptor binding protein
Authors:Wu, Y, West Jr, A.P, Kim, H.J, Thornton, M.E, Ward, A.B, Bjorkman, P.J.
Deposit date:2013-11-05
Release date:2014-02-26
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (8.001 Å)
Cite:Structural basis for enhanced HIV-1 neutralization by a dimeric immunoglobulin G form of the glycan-recognizing antibody 2G12.
Cell Rep, 5, 2013
6NLN
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BU of 6nln by Molmil
1.60 A resolution structure of WT BfrB from Pseudomonas aeruginosa in complex with a protein-protein interaction inhibitor (analog 16)
Descriptor: 4-{[3-(3-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione, FE (II) ION, Ferroxidase, ...
Authors:Lovell, S, Punchi-Hewage, A, Battaile, K.P, Yao, H, Nammalwar, B, Gnanasekaran, K.K, Bunce, R.A, Reitz, A.B, Rivera, M.
Deposit date:2019-01-08
Release date:2019-05-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Small Molecule Inhibitors of the BfrB-Bfd Interaction Decrease Pseudomonas aeruginosa Fitness and Potentiate Fluoroquinolone Activity.
J.Am.Chem.Soc., 141, 2019
5JH5
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BU of 5jh5 by Molmil
Structural Basis for the Hierarchical Assembly of the Core of PRC1.1
Descriptor: BCL-6 corepressor-like protein 1, Lysine-specific demethylase 2B, Polycomb group RING finger protein 1, ...
Authors:Wong, S.J, Taylor, A.B, Hart, P.J, Kim, C.A.
Deposit date:2016-04-20
Release date:2016-09-14
Last modified:2016-10-19
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:KDM2B Recruitment of the Polycomb Group Complex, PRC1.1, Requires Cooperation between PCGF1 and BCORL1.
Structure, 24, 2016
4MW4
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BU of 4mw4 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(5-chloro-2-hydroxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea (Chem 1473)
Descriptor: 1-{3-[(5-chloro-2-hydroxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:2013-09-24
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
6NUR
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BU of 6nur by Molmil
SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors
Descriptor: NSP12, NSP7, NSP8, ...
Authors:Kirchdoerfer, R.N, Ward, A.B.
Deposit date:2019-02-01
Release date:2019-05-29
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure of the SARS-CoV nsp12 polymerase bound to nsp7 and nsp8 co-factors.
Nat Commun, 10, 2019
6NLJ
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BU of 6nlj by Molmil
1.65 A resolution structure of Apo BfrB from Pseudomonas aeruginosa in complex with a protein-protein interaction inhibitor (analog 12)
Descriptor: 4-{[(3-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione, Ferroxidase, POTASSIUM ION
Authors:Lovell, S, Punchi-Hewage, A, Battaile, K.P, Yao, H, Nammalwar, B, Gnanasekaran, K.K, Bunce, R.A, Reitz, A.B, Rivera, M.
Deposit date:2019-01-08
Release date:2019-05-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Small Molecule Inhibitors of the BfrB-Bfd Interaction Decrease Pseudomonas aeruginosa Fitness and Potentiate Fluoroquinolone Activity.
J.Am.Chem.Soc., 141, 2019
4O3Z
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BU of 4o3z by Molmil
Crystal structure of the vaccine antigen Transferrin Binding Protein B (TbpB) mutant Tyr-95-Ala from Actinobacillus pleuropneumoniae H87
Descriptor: ACETATE ION, GLYCEROL, Outer membrane protein; transferrin-binding protein
Authors:Calmettes, C, Yu, R.H, Schryvers, A.B, Moraes, T.F.
Deposit date:2013-12-18
Release date:2015-01-14
Last modified:2015-03-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Nonbinding site-directed mutants of transferrin binding protein B exhibit enhanced immunogenicity and protective capabilities.
Infect.Immun., 83, 2015
6NC2
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BU of 6nc2 by Molmil
AMC011 v4.2 SOSIP Env trimer in complex with fusion peptide targeting antibody ACS202 fragment antigen binding
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, AMC011 v4.2 SOSIP gp120, ...
Authors:Cottrell, C.A, Ozorowski, G, Yuan, M, Copps, J, Wilson, I.A, Ward, A.B.
Deposit date:2018-12-10
Release date:2019-06-19
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (5.2 Å)
Cite:Conformational Plasticity in the HIV-1 Fusion Peptide Facilitates Recognition by Broadly Neutralizing Antibodies.
Cell Host Microbe, 25, 2019
6NF5
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BU of 6nf5 by Molmil
BG505 MD64 N332-GT5 SOSIP trimer in complex with BG18-like precursor HMP1 fragmentantigen binding and base-binding RM20A3 fragment antigen binding
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG18-like precursor HMP1 fragment antigen binding heavy chain, ...
Authors:Ozorowski, G, Torres, J.L, Steichen, J.M, Schief, W.R, Ward, A.B.
Deposit date:2018-12-18
Release date:2019-11-06
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.71 Å)
Cite:A generalized HIV vaccine design strategy for priming of broadly neutralizing antibody responses.
Science, 366, 2019
6MGV
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BU of 6mgv by Molmil
Structure of mechanically activated ion channel OSCA1.2 in nanodisc
Descriptor: Calcium permeable stress-gated cation channel 1
Authors:Jojoa-Cruz, S, Saotome, K, Patapoutian, A, Ward, A.B.
Deposit date:2018-09-15
Release date:2018-11-14
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM structure of the mechanically activated ion channel OSCA1.2.
Elife, 7, 2018
6MLM
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BU of 6mlm by Molmil
H7 HA0 in complex with Fv from H7.5 IgG
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain Fv of H7.5 Fab, Hemagglutinin HA1 chain, ...
Authors:Pallesen, J, Turner, H.L, Ward, A.B.
Deposit date:2018-09-27
Release date:2019-02-20
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Potent anti-influenza H7 human monoclonal antibody induces separation of hemagglutinin receptor-binding head domains.
PLoS Biol., 17, 2019
5KPX
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BU of 5kpx by Molmil
Structure of RelA bound to ribosome in presence of A/R tRNA (Structure IV)
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Loveland, A.B, Bah, E, Madireddy, R, Zhang, Y, Brilot, A.F, Grigorieff, N, Korostelev, A.A.
Deposit date:2016-07-05
Release date:2016-09-28
Last modified:2019-11-20
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Ribosome•RelA structures reveal the mechanism of stringent response activation.
Elife, 5, 2016
6NJT
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BU of 6njt by Molmil
Mouse endonuclease G mutant - H97A
Descriptor: CHLORIDE ION, Endonuclease G, mitochondrial, ...
Authors:Vander Zanden, C.M, Ho, E.N, Czarny, R.S, Robertson, A.B, Ho, P.S.
Deposit date:2019-01-04
Release date:2020-01-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structural adaptation of vertebrate endonuclease G for 5-hydroxymethylcytosine recognition and function.
Nucleic Acids Res., 48, 2020
6NLF
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BU of 6nlf by Molmil
1.45 A resolution structure of apo BfrB from Pseudomonas aeruginosa
Descriptor: Ferroxidase, POTASSIUM ION
Authors:Lovell, S, Punchi-Hewage, A, Battaile, K.P, Yao, H, Nammalwar, B, Gnanasekaran, K.K, Bunce, R.A, Reitz, A.B, Rivera, M.
Deposit date:2019-01-08
Release date:2019-05-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Small Molecule Inhibitors of the BfrB-Bfd Interaction Decrease Pseudomonas aeruginosa Fitness and Potentiate Fluoroquinolone Activity.
J.Am.Chem.Soc., 141, 2019
6NIJ
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BU of 6nij by Molmil
PGT145 Fab in complex with full length AMC011 HIV-1 Env
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, AMC011 Glycoprotein 120, ...
Authors:Cottrell, C.A, Torrents de la Pena, A, Rantalainen, K, Torres, J.L, Ward, A.B.
Deposit date:2018-12-29
Release date:2019-07-31
Last modified:2023-04-05
Method:ELECTRON MICROSCOPY (5.7 Å)
Cite:Similarities and differences between native HIV-1 envelope glycoprotein trimers and stabilized soluble trimer mimetics.
Plos Pathog., 15, 2019
4MUA
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BU of 4mua by Molmil
Schistosoma mansoni (Blood Fluke) Sulfotransferase
Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, SODIUM ION, Sulfotransferase
Authors:Valentim, C.L.L, Cioli, D, Chevalier, F.D, Cao, X, Taylor, A.B, Holloway, S.P, Pica-Mattoccia, L, Guidi, A, Basso, A, Tsai, I.J, Berriman, M, Carvalho-Queiroz, C, Almeida, M, Aguilar, H, Frantz, D.E, Hart, P.J, Anderson, T.J.C, LoVerde, P.T.
Deposit date:2013-09-21
Release date:2013-12-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Genetic and molecular basis of drug resistance and species-specific drug action in schistosome parasites.
Science, 342, 2013
6NJU
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BU of 6nju by Molmil
Mouse endonuclease G mutant H97A bound to A-DNA
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DNA (5'-D(CCGGCGCCGG)-3'), ...
Authors:Vander Zanden, C.M, Ho, E.N, Czarny, R.S, Robertson, A.B, Ho, P.S.
Deposit date:2019-01-04
Release date:2020-01-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural adaptation of vertebrate endonuclease G for 5-hydroxymethylcytosine recognition and function.
Nucleic Acids Res., 48, 2020
6NLL
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BU of 6nll by Molmil
1.80 A resolution structure of WT BfrB from Pseudomonas aeruginosa in complex with a protein-protein interaction inhibitor (analog 14)
Descriptor: 4-{[3-(2,4-dihydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione, FE (II) ION, Ferroxidase, ...
Authors:Lovell, S, Punchi-Hewage, A, Battaile, K.P, Yao, H, Nammalwar, B, Gnanasekaran, K.K, Bunce, R.A, Reitz, A.B, Rivera, M.
Deposit date:2019-01-08
Release date:2019-05-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Small Molecule Inhibitors of the BfrB-Bfd Interaction Decrease Pseudomonas aeruginosa Fitness and Potentiate Fluoroquinolone Activity.
J.Am.Chem.Soc., 141, 2019
5KPV
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BU of 5kpv by Molmil
Structure of RelA bound to ribosome in presence of A/R tRNA (Structure II)
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Loveland, A.B, Bah, E, Madireddy, R, Zhang, Y, Brilot, A.F, Grigorieff, N, Korostelev, A.A.
Deposit date:2016-07-05
Release date:2016-09-28
Last modified:2019-11-20
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Ribosome•RelA structures reveal the mechanism of stringent response activation.
Elife, 5, 2016
4RP7
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BU of 4rp7 by Molmil
Structure of the amyloid-forming segment TIITLE from p53 (residues 253-258)
Descriptor: TIITLE hexapeptide segment from p53, ZINC ION
Authors:Soriaga, A.B, Soragni, A, Eisenberg, D.
Deposit date:2014-10-29
Release date:2016-01-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.576 Å)
Cite:A Designed Inhibitor of p53 Aggregation Rescues p53 Tumor Suppression in Ovarian Carcinomas.
Cancer Cell, 29, 2016
5KPW
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BU of 5kpw by Molmil
Structure of RelA bound to ribosome in presence of A/R tRNA (Structure III)
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Loveland, A.B, Bah, E, Madireddy, R, Zhang, Y, Brilot, A.F, Grigorieff, N, Korostelev, A.A.
Deposit date:2016-07-05
Release date:2016-09-28
Last modified:2019-11-20
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Ribosome•RelA structures reveal the mechanism of stringent response activation.
Elife, 5, 2016
6MZC
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BU of 6mzc by Molmil
Human TFIID BC core
Descriptor: Transcription initiation factor TFIID subunit 10, Transcription initiation factor TFIID subunit 12, Transcription initiation factor TFIID subunit 2, ...
Authors:Patel, A.B, Louder, R.K, Greber, B.J, Grunberg, S, Luo, J, Fang, J, Liu, Y, Ranish, J, Hahn, S, Nogales, E.
Deposit date:2018-11-05
Release date:2018-11-28
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Structure of human TFIID and mechanism of TBP loading onto promoter DNA.
Science, 362, 2018
4NHH
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BU of 4nhh by Molmil
Structure of 2G12 IgG Dimer
Descriptor: 2G12 IgG dimer heavy chain, 2G12 IgG dimer light chain, Hepatitis B virus receptor binding protein
Authors:Wu, Y, West Jr, A.P, Kim, H.J, Thornton, M.E, Ward, A.B, Bjorkman, P.J.
Deposit date:2013-11-05
Release date:2014-02-26
Method:X-RAY DIFFRACTION (6.5 Å)
Cite:Structural basis for enhanced HIV-1 neutralization by a dimeric immunoglobulin G form of the glycan-recognizing antibody 2G12.
Cell Rep, 5, 2013

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