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5D2R
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BU of 5d2r by Molmil
Inhibitor Bound Cell Shape Determinant Protein Csd4 from Helicobacter pylori
Descriptor: (2R,6R)-2-{[(R)-[(3R)-3-(acetylamino)-3-carboxypropyl](hydroxy)phosphoryl]methyl}-6-aminoheptanedioic acid, Conserved hypothetical secreted protein, IODIDE ION, ...
Authors:Chan, A.C, Murphy, M.E.
Deposit date:2015-08-06
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Bacterial Cell Shape-Determining Inhibitor.
Acs Chem.Biol., 11, 2016
6TT9
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BU of 6tt9 by Molmil
rTBL Recombinant Lectin From Tepary Bean
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, HEXANE, ...
Authors:Martinez Alarcon, D, Varrot, A.
Deposit date:2019-12-26
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Recombinant Lectin from Tepary Bean (Phaseolus acutifolius) with Specific Recognition for Cancer-Associated Glycans: Production, Structural Characterization, and Target Identification.
Biomolecules, 10, 2020
5CWO
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BU of 5cwo by Molmil
Crystal structure of de novo designed helical repeat protein DHR76
Descriptor: Designed helical repeat protein
Authors:Bhabha, G, Ekiert, D.C.
Deposit date:2015-07-28
Release date:2015-12-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Exploring the repeat protein universe through computational protein design.
Nature, 528, 2015
5DFM
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BU of 5dfm by Molmil
Structure of Tetrahymena telomerase p19 fused to MBP
Descriptor: GLYCEROL, Maltose-binding periplasmic protein,Telomerase-associated protein 19, SULFATE ION, ...
Authors:Chan, H, Cascio, D, Sawaya, M.R, Feigon, J.
Deposit date:2015-08-27
Release date:2015-10-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Structure of Tetrahymena telomerase reveals previously unknown subunits, functions, and interactions.
Science, 350, 2015
5CWD
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BU of 5cwd by Molmil
Crystal structure of de novo designed helical repeat protein DHR7
Descriptor: Designed helical repeat protein
Authors:Bhabha, G, Ekiert, D.C.
Deposit date:2015-07-28
Release date:2015-12-16
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Exploring the repeat protein universe through computational protein design.
Nature, 528, 2015
5CWI
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BU of 5cwi by Molmil
Crystal structure of de novo designed helical repeat protein DHR18
Descriptor: Designed helical repeat protein, PHOSPHATE ION
Authors:Bhabha, G, Ekiert, D.C.
Deposit date:2015-07-28
Release date:2015-12-16
Last modified:2016-01-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Exploring the repeat protein universe through computational protein design.
Nature, 528, 2015
5D1R
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BU of 5d1r by Molmil
Crystal structure of Mycobacterium tuberculosis Rv1816 transcriptional regulator.
Descriptor: MAGNESIUM ION, NICKEL (II) ION, Rv1816 transcriptional regulator, ...
Authors:Chou, T.-H, Delmar, J, Su, C.-C, Yu, E.
Deposit date:2015-08-04
Release date:2015-09-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis for the Regulation of the MmpL Transporters of Mycobacterium tuberculosis.
J.Biol.Chem., 290, 2015
5D3D
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BU of 5d3d by Molmil
Crystal structure of Staphylococcal Superantigen-Like protein 3
Descriptor: CHLORIDE ION, GLYCEROL, SODIUM ION, ...
Authors:Feitsma, L.J, Huizinga, E.G.
Deposit date:2015-08-06
Release date:2015-08-19
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structural basis for inhibition of TLR2 by staphylococcal superantigen-like protein 3 (SSL3).
Proc.Natl.Acad.Sci.USA, 112, 2015
5DBM
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BU of 5dbm by Molmil
Crystal structure of the CBP bromodomain in complex with CPI703
Descriptor: (4R)-6-(1-tert-butyl-1H-pyrazol-4-yl)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, CREB-binding protein
Authors:Setser, J.W, Poy, F, Bellon, S.F.
Deposit date:2015-08-21
Release date:2016-04-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Regulatory T Cell Modulation by CBP/EP300 Bromodomain Inhibition.
J.Biol.Chem., 291, 2016
5CQM
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BU of 5cqm by Molmil
GTB mutant with mercury - E303C
Descriptor: Histo-blood group ABO system transferase, MERCURY (II) ION
Authors:Gagnon, S.M.L, Blackler, R.J.
Deposit date:2015-07-22
Release date:2016-10-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Glycosyltransfer in mutants of putative catalytic residue Glu303 of the human ABO(H) A and B blood group glycosyltransferases GTA and GTB proceeds through a labile active site.
Glycobiology, 27, 2017
6UKY
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BU of 6uky by Molmil
STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 12
Descriptor: 4-(6-{3-[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-4-yl]propyl}-5-methoxy-1-benzothiophen-2-yl)-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain
Authors:Lesburg, C.A.
Deposit date:2019-10-06
Release date:2020-08-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:An orally available non-nucleotide STING agonist with antitumor activity.
Science, 369, 2020
5CTC
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BU of 5ctc by Molmil
Humanized yeast ACC carboxyltransferase domain bound to tert-butyl 7-[(7-methyl-1H-indazol-5-yl)carbonyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate
Descriptor: Acetyl-CoA carboxylase, SULFATE ION, tert-butyl 7-[(7-methyl-1H-indazol-5-yl)carbonyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate
Authors:Vajdos, F.F.
Deposit date:2015-07-23
Release date:2015-10-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of spirocyclic-diamine inhibitors of mammalian acetyl CoA-carboxylase.
Bioorg.Med.Chem.Lett., 25, 2015
6UKW
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BU of 6ukw by Molmil
STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 10
Descriptor: 4-[6-(3-{[2-(3-carboxypropanoyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy}propoxy)-5-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain
Authors:Lesburg, C.A.
Deposit date:2019-10-06
Release date:2020-08-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:An orally available non-nucleotide STING agonist with antitumor activity.
Science, 369, 2020
6U6M
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BU of 6u6m by Molmil
Crystal structure of a vaccine-elicited anti-HIV-1 rhesus macaque antibody DH840.1
Descriptor: DH840.1 Fab heavy chain, DH840.1 Fab light chain
Authors:Chen, W.-H, Choe, M, Saunders, K.O, Joyce, M.G.
Deposit date:2019-08-30
Release date:2021-03-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.683 Å)
Cite:Structural and genetic convergence of HIV-1 neutralizing antibodies in vaccinated non-human primates.
Plos Pathog., 17, 2021
6U6O
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BU of 6u6o by Molmil
Crystal structure of a vaccine-elicited anti-HIV-1 rhesus macaque antibody DH846
Descriptor: DH846 Fab heavy chain, DH846 Fab light chain
Authors:Chen, W.-H, Choe, M, Saunders, K.O, Joyce, M.G.
Deposit date:2019-08-30
Release date:2021-03-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.806 Å)
Cite:Structural and genetic convergence of HIV-1 neutralizing antibodies in vaccinated non-human primates.
Plos Pathog., 17, 2021
5D18
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BU of 5d18 by Molmil
Crystal structure of Mycobacterium tuberculosis Rv0302, form I
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ISOPROPYL ALCOHOL, SODIUM ION, ...
Authors:Chou, T.-H, Delmar, J, Su, C.-C, Yu, E.
Deposit date:2015-08-04
Release date:2015-10-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Crystal structure of the Mycobacterium tuberculosis transcriptional regulator Rv0302.
Protein Sci., 2015
5D3I
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BU of 5d3i by Molmil
Crystal structure of the SSL3-TLR2 complex
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Feitsma, L.J, Huizinga, E.G.
Deposit date:2015-08-06
Release date:2015-08-19
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis for inhibition of TLR2 by staphylococcal superantigen-like protein 3 (SSL3).
Proc.Natl.Acad.Sci.USA, 112, 2015
5CWC
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BU of 5cwc by Molmil
Crystal structure of de novo designed helical repeat protein DHR5
Descriptor: 1,2-ETHANEDIOL, Designed helical repeat protein
Authors:Bhabha, G, Ekiert, D.C.
Deposit date:2015-07-27
Release date:2015-12-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Exploring the repeat protein universe through computational protein design.
Nature, 528, 2015
5CWM
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BU of 5cwm by Molmil
Crystal structure of de novo designed helical repeat protein DHR64
Descriptor: Designed helical repeat protein
Authors:Bhabha, G, Ekiert, D.C.
Deposit date:2015-07-28
Release date:2015-12-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Exploring the repeat protein universe through computational protein design.
Nature, 528, 2015
6UVV
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BU of 6uvv by Molmil
BACE-1 in complex with compound #17
Descriptor: (1R,2R)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-N-butylcyclopropane-1-carboxamide, Beta-secretase 1, GLYCEROL, ...
Authors:Hendle, J, Timm, D.E.
Deposit date:2019-11-04
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Preparation and biological evaluation of BACE1 inhibitors: Leveraging trans-cyclopropyl moieties as ligand efficient conformational constraints.
Bioorg.Med.Chem., 28, 2020
6V10
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BU of 6v10 by Molmil
genome-containing AAV8 particles
Descriptor: Capsid protein, DNA (5'-D(*CP*A)-3')
Authors:Mietzsch, M, Agbandje-McKenna, M.
Deposit date:2019-11-19
Release date:2019-12-11
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.77 Å)
Cite:Comparative Analysis of the Capsid Structures of AAVrh.10, AAVrh.39, and AAV8.
J.Virol., 94, 2020
6VFJ
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BU of 6vfj by Molmil
De novo designed icosahedral nanoparticle I53_dn5
Descriptor: I53_dn5A, I53_dn5B
Authors:Antanasijevic, A, Ward, A.B.
Deposit date:2020-01-05
Release date:2020-08-12
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (5.35 Å)
Cite:Tailored design of protein nanoparticle scaffolds for multivalent presentation of viral glycoprotein antigens.
Elife, 9, 2020
5CWH
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BU of 5cwh by Molmil
Crystal structure of de novo designed helical repeat protein DHR14
Descriptor: 1,2-ETHANEDIOL, Designed helical repeat protein
Authors:Bhabha, G, Ekiert, D.C.
Deposit date:2015-07-28
Release date:2015-12-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Exploring the repeat protein universe through computational protein design.
Nature, 528, 2015
5D1W
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BU of 5d1w by Molmil
Crystal structure of Mycobacterium tuberculosis Rv3249c transcriptional regulator.
Descriptor: PALMITIC ACID, Rv3249c transcriptional regulator
Authors:Chou, T.-H, Delmar, J, Su, C.-C, Yu, E.
Deposit date:2015-08-04
Release date:2015-09-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.59 Å)
Cite:Structural Basis for the Regulation of the MmpL Transporters of Mycobacterium tuberculosis.
J.Biol.Chem., 290, 2015
6V6X
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BU of 6v6x by Molmil
The crystal structure of the 2009 H1N1 PA endonuclease mutant I38T in complex with SJ000988632
Descriptor: Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, N-[2-(6-amino-9H-purin-9-yl)ethyl]-5-hydroxy-6-oxo-2-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide, ...
Authors:Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W.
Deposit date:2019-12-06
Release date:2020-12-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023

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