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PDB: 316 results

2WMP
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BU of 2wmp by Molmil
Structure of the E. coli chaperone PapD in complex with the pilin domain of the PapGII adhesin
Descriptor: CHAPERONE PROTEIN PAPD, PAPG PROTEIN
Authors:Ford, B.A, Verger, D, Elam, J.S, Dodson, K.W, Pinkner, J.S, Hultgren, S.J.
Deposit date:2009-07-02
Release date:2010-08-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the Papd-Papgii Pilin Complex Reveals an Open and Flexible P5 Pocket.
J.Bacteriol., 194, 2012
6ARM
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BU of 6arm by Molmil
F9 pilus adhesin FmlH lectin domain from E. coli UTI89 co-crystallized with o-nitrophenyl beta-galactoside (ONPG)
Descriptor: 2-nitrophenyl beta-D-galactopyranoside, F9 pilus adhesin FmlH, SULFATE ION
Authors:Kalas, V, Hultgren, S.J.
Deposit date:2017-08-22
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-based discovery of glycomimetic FmlH ligands as inhibitors of bacterial adhesion during urinary tract infection.
Proc.Natl.Acad.Sci.USA, 115, 2018
6ARN
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BU of 6arn by Molmil
F9 pilus adhesin FmlH lectin domain from E. coli UTI89 co-crystallized with o-methoxyphenyl beta-galactoside (OMPG)
Descriptor: 2-methoxyphenyl beta-D-galactopyranoside, Putative Fml fimbrial adhesin FmlD, SULFATE ION
Authors:Kalas, V, Hultgren, S.J.
Deposit date:2017-08-22
Release date:2018-02-28
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structure-based discovery of glycomimetic FmlH ligands as inhibitors of bacterial adhesion during urinary tract infection.
Proc.Natl.Acad.Sci.USA, 115, 2018
6AOY
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BU of 6aoy by Molmil
F9 pilus adhesin FmlH lectin domain from E. coli UTI89 co-crystallized with o-nitrophenyl beta-galactoside (ONPG)
Descriptor: 2-nitrophenyl beta-D-galactopyranoside, Fml fimbrial adhesin FmlD, SULFATE ION
Authors:Kalas, V, Hultgren, S.J.
Deposit date:2017-08-16
Release date:2018-02-28
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-based discovery of glycomimetic FmlH ligands as inhibitors of bacterial adhesion during urinary tract infection.
Proc.Natl.Acad.Sci.USA, 115, 2018
6BSP
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BU of 6bsp by Molmil
High-Resolution Structure Analysis of Antibody V5 and U4 Conformational Epitope on Human Papillomavirus 16
Descriptor: Major capsid protein L1, U4 Heavy chain, U4 Light chain
Authors:Guan, J, Bywaters, S.M, Brendle, S.A, Ashley, R.E, Makhov, A.M, Conway, J.F, Christenson, N.D, Hafenstein, S.
Deposit date:2017-12-04
Release date:2018-02-14
Last modified:2018-10-24
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:High-Resolution Structure Analysis of Antibody V5 and U4 Conformational Epitopes on Human Papillomavirus 16.
Viruses, 9, 2017
6CD2
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BU of 6cd2 by Molmil
Crystal structure of the PapC usher bound to the chaperone-adhesin PapD-PapG
Descriptor: Chaperone protein PapD, Outer membrane usher protein PapC, PapGII adhesin protein
Authors:Omattage, N.S, Deng, Z, Yuan, P, Hultgren, S.J.
Deposit date:2018-02-07
Release date:2018-10-03
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Structural basis for usher activation and intramolecular subunit transfer in P pilus biogenesis in Escherichia coli.
Nat Microbiol, 3, 2018
6S96
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BU of 6s96 by Molmil
Crystal structure of the catalytic domain of UBE2S C118A.
Descriptor: FORMIC ACID, SODIUM ION, Ubiquitin-conjugating enzyme E2 S
Authors:Liess, A.K.L, Lorenz, S.
Deposit date:2019-07-11
Release date:2020-10-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Dimerization regulates the human APC/C-associated ubiquitin-conjugating enzyme UBE2S.
Sci.Signal., 13, 2020
3PNT
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BU of 3pnt by Molmil
Crystal Structure of the Streptococcus pyogenes NAD+ glycohydrolase SPN in complex with IFS, the Immunity Factor for SPN
Descriptor: Immunity factor for SPN, NAD+-glycohydrolase
Authors:Smith, C.L, Stine Elam, J, Ellenberger, T, Ghosh, J, Pinkner, J.S, Hultgren, S.J, Caparon, M.G.
Deposit date:2010-11-19
Release date:2011-03-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Basis of Streptococcus pyogenes Immunity to Its NAD(+) Glycohydrolase Toxin.
Structure, 19, 2011
5NPU
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BU of 5npu by Molmil
Inferred ancestral pyruvate decarboxylase
Descriptor: ANC27, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Buddrus, L, Crennell, S.J, Leak, D.J, Danson, M.J, Andrews, E.S.V, Arcus, V.L.
Deposit date:2017-04-19
Release date:2018-03-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Crystal structure of an inferred ancestral bacterial pyruvate decarboxylase.
Acta Crystallogr F Struct Biol Commun, 74, 2018
5K5T
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BU of 5k5t by Molmil
Crystal structure of the inactive form of human calcium-sensing receptor extracellular domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Extracellular calcium-sensing receptor, ...
Authors:Geng, Y, Mosyak, L, Kurinov, I, Zuo, H, Sturchler, E, Cheng, T.C, Subramanyam, P, Brown, A.P, Brennan, S.C, Mun, H.-C, Bush, M, Chen, Y, Nguyen, T, Cao, B, Chang, D, Quick, M, Conigrave, A, Colecraft, H.M, McDonald, P, Fan, Q.R.
Deposit date:2016-05-23
Release date:2016-08-03
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural mechanism of ligand activation in human calcium-sensing receptor.
Elife, 5, 2016
5LP8
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BU of 5lp8 by Molmil
Crystal structure of an asymmetric dimer of the ubiquitin ligase HUWE1
Descriptor: E3 ubiquitin-protein ligase HUWE1
Authors:Sander, B, Lorenz, S.G.
Deposit date:2016-08-12
Release date:2017-02-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A conformational switch regulates the ubiquitin ligase HUWE1.
Elife, 6, 2017
6BT3
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BU of 6bt3 by Molmil
High-Resolution Structure Analysis of Antibody V5 Conformational Epitope on Human Papillomavirus 16
Descriptor: Major capsid protein L1, V5 Fab Heavy-chain, V5 Fab Light-chain
Authors:Guan, J, Bywaters, S.M, Brendle, S.A, Ashley, R.E, Makhov, A.M, Conway, J.F, Christensen, N.D, Hafenstein, S.
Deposit date:2017-12-05
Release date:2018-01-17
Last modified:2018-01-24
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:High-Resolution Structure Analysis of Antibody V5 and U4 Conformational Epitopes on Human Papillomavirus 16.
Viruses, 9, 2017
5F2F
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BU of 5f2f by Molmil
Crystal structure of para-biphenyl-2-methyl-3', 5' di-methyl amide mannoside bound to FimH lectin domain
Descriptor: 5-[4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methyl-phenyl]-~{N}1,~{N}3-dimethyl-benzene-1,3-dicarboxamide, GLYCEROL, Protein FimH
Authors:Kalas, V, Hultgren, S.J.
Deposit date:2015-12-01
Release date:2016-05-04
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.665 Å)
Cite:Antivirulence Isoquinolone Mannosides: Optimization of the Biaryl Aglycone for FimH Lectin Binding Affinity and Efficacy in the Treatment of Chronic UTI.
Chemmedchem, 11, 2016
5F3F
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BU of 5f3f by Molmil
Crystal structure of para-biphenyl-2-methyl-3'-methyl amide mannoside bound to FimH lectin domain
Descriptor: 3-[4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methyl-phenyl]-~{N}-methyl-benzamide, Protein FimH
Authors:Klein, R.D, Hultgren, S.J.
Deposit date:2015-12-02
Release date:2016-12-07
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Antivirulence C-Mannosides as Antibiotic-Sparing, Oral Therapeutics for Urinary Tract Infections.
J.Med.Chem., 59, 2016
5EUJ
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BU of 5euj by Molmil
PYRUVATE DECARBOXYLASE FROM ZYMOBACTER PALMAE
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, Pyruvate decarboxylase, ...
Authors:Buddrus, L, Crennell, S.J, Leak, D.J, Danson, M.J, Andrews, E.S.V, Arcus, V.L.
Deposit date:2015-11-18
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of pyruvate decarboxylase from Zymobacter palmae.
Acta Crystallogr.,Sect.F, 72, 2016
3OF1
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BU of 3of1 by Molmil
Crystal Structure of Bcy1, the Yeast Regulatory Subunit of PKA
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, cAMP-dependent protein kinase regulatory subunit
Authors:Rinaldi, J, Wu, J, Yang, J, Ralston, C.Y, Sankaran, B, Moreno, S, Taylor, S.S.
Deposit date:2010-08-13
Release date:2010-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structure of Yeast Regulatory Subunit: A Glimpse into the Evolution of PKA Signaling.
Structure, 18, 2010
5LPA
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BU of 5lpa by Molmil
AadA E87Q in complex with ATP, calcium and dihydrostreptomycin
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ...
Authors:Stern, A.L, Van der Verren, S.E, Selmer, M.
Deposit date:2016-08-12
Release date:2018-01-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural mechanism of AadA, a dual-specificity aminoglycoside adenylyltransferase fromSalmonella enterica.
J.Biol.Chem., 293, 2018
6R4O
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BU of 6r4o by Molmil
Structure of a truncated adenylyl cyclase bound to MANT-GTP, forskolin and an activated stimulatory Galphas protein
Descriptor: 3'-O-(N-METHYLANTHRANILOYL)-GUANOSINE-5'-TRIPHOSPHATE, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Adenylate cyclase 9, ...
Authors:Qi, C, Sorrentino, S, Medalia, O, Korkhov, V.M.
Deposit date:2019-03-22
Release date:2019-05-08
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:The structure of a membrane adenylyl cyclase bound to an activated stimulatory G protein.
Science, 364, 2019
6S98
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BU of 6s98 by Molmil
Crystal structure of the catalytic domain of UBE2S WT.
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, SODIUM ION, ...
Authors:Liess, A.K.L, Lorenz, S.
Deposit date:2019-07-11
Release date:2020-10-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Dimerization regulates the human APC/C-associated ubiquitin-conjugating enzyme UBE2S.
Sci.Signal., 13, 2020
5K5S
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BU of 5k5s by Molmil
Crystal structure of the active form of human calcium-sensing receptor extracellular domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Extracellular calcium-sensing receptor, ...
Authors:Geng, Y, Mosyak, L, Kurinov, I, Zuo, H, Sturchler, E, Cheng, T.C, Subramanyam, P, Brown, A.P, Brennan, S.C, Mun, H.-C, Bush, M, Chen, Y, Nguyen, T, Cao, B, Chang, D, Quick, M, Conigrave, A, Colecraft, H.M, McDonald, P, Fan, Q.R.
Deposit date:2016-05-23
Release date:2016-08-03
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural mechanism of ligand activation in human calcium-sensing receptor.
Elife, 5, 2016
5FDU
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BU of 5fdu by Molmil
Crystal structure of the Metalnikowin I antimicrobial peptide bound to the Thermus thermophilus 70S ribosome
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Seefeldt, A.C, Graf, M, Perebaskine, N, Nguyen, F, Arenz, S, Mardirossian, M, Scocchi, M, Wilson, D.N, Innis, C.A.
Deposit date:2015-12-16
Release date:2016-01-27
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of the mammalian antimicrobial peptide Bac7(1-16) bound within the exit tunnel of a bacterial ribosome.
Nucleic Acids Res., 44, 2016
5F8K
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BU of 5f8k by Molmil
Crystal structure of the Bac7(1-16) antimicrobial peptide bound to the Thermus thermophilus 70S ribosome
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Seefeldt, A.C, Graf, M, Perebaskine, N, Nguyen, F, Arenz, S, Mardirossian, M, Scocchi, M, Wilson, D.N, Innis, C.A.
Deposit date:2015-12-09
Release date:2016-02-03
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of the mammalian antimicrobial peptide Bac7(1-16) bound within the exit tunnel of a bacterial ribosome.
Nucleic Acids Res., 44, 2016
5FDV
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BU of 5fdv by Molmil
Crystal structure of the Pyrrhocoricin antimicrobial peptide bound to the Thermus thermophilus 70S ribosome
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Seefeldt, A.C, Graf, M, Perebaskine, N, Nguyen, F, Arenz, S, Mardirossian, M, Scocchi, M, Wilson, D.N, Innis, C.A.
Deposit date:2015-12-16
Release date:2016-01-27
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of the mammalian antimicrobial peptide Bac7(1-16) bound within the exit tunnel of a bacterial ribosome.
Nucleic Acids Res., 44, 2016
6RSU
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BU of 6rsu by Molmil
TBK1 in complex with Inhibitor compound 35
Descriptor: 3,3,3-tris(fluoranyl)-1-[4-[(1~{R})-1-[2-[[(2~{S})-5-(5-propan-2-yloxypyrimidin-4-yl)-2,3-dihydro-1~{H}-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]propan-1-one, Serine/threonine-protein kinase TBK1
Authors:Panne, D, Hillig, R.C, Rengachari, S.
Deposit date:2019-05-22
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Discovery of BAY-985, a Highly Selective TBK1/IKK epsilon Inhibitor.
J.Med.Chem., 63, 2020
5FAT
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BU of 5fat by Molmil
OXA-48 in complex with FPI-1602
Descriptor: Beta-lactamase, CADMIUM ION, CHLORIDE ION, ...
Authors:King, A.M, King, D.T, French, S, Brouillette, E, Asli, A, Alexander, A.N, Vuckovic, M, Maiti, S.N, Parr, T.R, Brown, E.D, Malouin, F, Strynadka, N.C.J, Wright, G.D.
Deposit date:2015-12-12
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins.
Acs Chem.Biol., 11, 2016

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