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5NDX
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BU of 5ndx by Molmil
The bacterial orthologue of Human a-L-iduronidase does not need N-glycan post-translational modifications to be catalytically competent: Crystallography and QM/MM insights into Mucopolysaccharidosis I
Descriptor: (2~{R},3~{S},4~{S},5~{R},6~{S})-6-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid, Glycosyl hydrolase, SULFATE ION
Authors:Raich, L, Valero-Gonzalez, J, Castro-Lopez, J, Millan, C, Jimenez-Garcia, M.J, Nieto, P, Uson, I, Hurtado-Guerrero, R, Rovira, C.
Deposit date:2017-03-09
Release date:2018-07-11
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The bacterial orthologue of Human a-L-iduronidase does not need N-glycan post-translational modifications to be catalytically competent: Crystallography and QM/MM insights into Mucopolysaccharidosis I.
To Be Published
5MVL
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BU of 5mvl by Molmil
Crystal structure of an A-DNA dodecamer containing 5-bromouracil
Descriptor: Brominated DNA dodecamer, MAGNESIUM ION
Authors:Hardwick, J.S, Ptchelkine, D, Phillips, S.E.V, Brown, T.
Deposit date:2017-01-16
Release date:2017-05-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.405 Å)
Cite:5-Formylcytosine does not change the global structure of DNA.
Nat. Struct. Mol. Biol., 24, 2017
4TNN
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BU of 4tnn by Molmil
Crystal structure of Escherichia coli protein YodA in complex with Ni - artifact of purification.
Descriptor: Metal-binding lipocalin, NICKEL (II) ION, SULFATE ION
Authors:Gasiorowska, O.A, Cymborowski, M.T, Handing, K.B, Shabalin, I.G, Zasadzinska, E, Niedzialkowska, E, Porebski, P.J, Minor, W.
Deposit date:2014-06-04
Release date:2014-06-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.951 Å)
Cite:Protein purification and crystallization artifacts: The tale usually not told.
Protein Sci., 25, 2016
4U6R
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BU of 4u6r by Molmil
Crystal structure of human IRE1 cytoplasmic domains in complex with a sulfonamide inhibitor.
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-{4-[(3-{2-[(trans-4-aminocyclohexyl)amino]pyrimidin-4-yl}pyridin-2-yl)oxy]-3-methylnaphthalen-1-yl}-2-chlorobenzenesulfonamide, ...
Authors:Mohr, C.
Deposit date:2014-07-29
Release date:2014-10-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Unfolded Protein Response in Cancer: IRE1 alpha Inhibition by Selective Kinase Ligands Does Not Impair Tumor Cell Viability.
Acs Med.Chem.Lett., 6, 2015
7O0N
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BU of 7o0n by Molmil
Crystal structure of a ParB E93A mutant from Myxococcus xanthus bound to CDP and monothiophosphate
Descriptor: CYTIDINE-5'-DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Altegoer, F, Bange, G.
Deposit date:2021-03-26
Release date:2021-09-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:The CTPase activity of ParB determines the size and dynamics of prokaryotic DNA partition complexes.
Mol.Cell, 81, 2021
8BTW
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BU of 8btw by Molmil
Structure of D179N BlaC from Mycobacterium tuberculosis in complex with vaborbactam
Descriptor: Beta-lactamase, GLYCEROL, PHOSPHATE ION, ...
Authors:Chikunova, A, Bruenle, S, Ubbink, M.
Deposit date:2022-12-02
Release date:2023-07-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Asp179 in the class A beta-lactamase from Mycobacterium tuberculosis is a conserved yet not essential residue due to epistasis.
Febs J., 290, 2023
8BTV
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BU of 8btv by Molmil
Structure of D179N BlaC from Mycobacterium tuberculosis bound to the trans-enamine adduct of sulbactam
Descriptor: Beta-lactamase, GLYCEROL, PHOSPHATE ION, ...
Authors:Chikunova, A, Bruenle, S, Ubbink, M.
Deposit date:2022-12-02
Release date:2023-07-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Asp179 in the class A beta-lactamase from Mycobacterium tuberculosis is a conserved yet not essential residue due to epistasis.
Febs J., 290, 2023
8BTU
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BU of 8btu by Molmil
Structure of D179N BlaC from Mycobacterium tuberculosis
Descriptor: Beta-lactamase
Authors:Chikunova, A, Bruenle, S, Ubbink, M.
Deposit date:2022-11-30
Release date:2023-07-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Asp179 in the class A beta-lactamase from Mycobacterium tuberculosis is a conserved yet not essential residue due to epistasis.
Febs J., 290, 2023
8BV4
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BU of 8bv4 by Molmil
Structure of BlaC from Mycobacterium tuberculosis in complex with vaborbactam
Descriptor: Beta-lactamase, GLYCEROL, PHOSPHATE ION, ...
Authors:Chikunova, A, Bruenle, S, Ubbink, M.
Deposit date:2022-12-01
Release date:2023-07-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Asp179 in the class A beta-lactamase from Mycobacterium tuberculosis is a conserved yet not essential residue due to epistasis.
Febs J., 290, 2023
4KY9
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BU of 4ky9 by Molmil
Structural and Functional Analysis of a Putative Substrate Access Tunnel in the Cytosolic Domain of Human Anion Exchanger 1
Descriptor: Band 3 anion transport protein
Authors:Shnitsar, V, Calmettes, C, Reithmeier, R.A.F, Moraes, T.F.
Deposit date:2013-05-28
Release date:2013-10-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:A substrate access tunnel in the cytosolic domain is not an essential feature of the solute carrier 4 (SLC4) family of bicarbonate transporters.
J.Biol.Chem., 288, 2013
1ZYT
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BU of 1zyt by Molmil
Crystal structure of spin labeled T4 Lysozyme (A82R1)
Descriptor: 2-HYDROXYETHYL DISULFIDE, AZIDE ION, CHLORIDE ION, ...
Authors:Fleissner, M.R, Cascio, D, Sawaya, M.R, Hideg, K, Hubbell, W.L.
Deposit date:2005-06-10
Release date:2006-08-15
Last modified:2023-10-25
Method:EPR (1.7 Å), X-RAY DIFFRACTION
Cite:Structural origin of weakly ordered nitroxide motion in spin-labeled proteins
Protein Sci., 18, 2009
7F3U
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BU of 7f3u by Molmil
Cryo-EM structure of human TMEM120A in the CoASH-free state
Descriptor: Transmembrane protein 120A
Authors:Rong, Y, Gao, Y.W, Song, D.F, Zhao, Y, Liu, Z.F.
Deposit date:2021-06-17
Release date:2021-06-30
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (4 Å)
Cite:TMEM120A contains a specific coenzyme A-binding site and might not mediate poking- or stretch-induced channel activities in cells.
Elife, 10, 2021
7F3T
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BU of 7f3t by Molmil
Cryo-EM structure of human TMEM120A in the CoASH-bound state
Descriptor: COENZYME A, Transmembrane protein 120A
Authors:Song, D.F, Rong, Y, Liu, Z.F.
Deposit date:2021-06-17
Release date:2021-06-30
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.69 Å)
Cite:TMEM120A contains a specific coenzyme A-binding site and might not mediate poking- or stretch-induced channel activities in cells.
Elife, 10, 2021
6YYI
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BU of 6yyi by Molmil
Crystal structure of beta-D-xylosidase from Dictyoglomus thermophilum bound to beta-D-xylopyranose
Descriptor: 1,2-ETHANEDIOL, Beta-xylosidase, CITRIC ACID, ...
Authors:Lafite, P, Daniellou, R, Bretagne, D.
Deposit date:2020-05-05
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Crystal structure of Dictyoglomus thermophilum beta-d-xylosidase DtXyl unravels the structural determinants for efficient notoginsenoside R1 hydrolysis.
Biochimie, 181, 2020
6YYH
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BU of 6yyh by Molmil
Crystal structure of beta-D-xylosidase from Dictyoglomus thermophilum in ligand-free form
Descriptor: 1,2-ETHANEDIOL, Beta-xylosidase, CITRIC ACID, ...
Authors:Lafite, P, Daniellou, R, Bretagne, D.
Deposit date:2020-05-05
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Crystal structure of Dictyoglomus thermophilum beta-d-xylosidase DtXyl unravels the structural determinants for efficient notoginsenoside R1 hydrolysis.
Biochimie, 181, 2020
4DNB
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BU of 4dnb by Molmil
METHYLATION OF THE ECORI RECOGNITION SITE DOES NOT ALTER DNA CONFORMATION. THE CRYSTAL STRUCTURE OF D(CGCGAM6ATTCGCG) AT 2.0 ANGSTROMS RESOLUTION
Descriptor: DNA (5'-D(*CP*GP*CP*GP*AP*(6MA)P*TP*TP*CP*GP*CP*G)-3')
Authors:Frederick, C.A, Quigley, G.J, Van Der Marel, G.A, Van Boom, J.H, Wang, A.H.-J, Rich, A.
Deposit date:1988-08-29
Release date:1989-01-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Methylation of the EcoRI recognition site does not alter DNA conformation: the crystal structure of d(CGCGAm6ATTCGCG) at 2.0-A resolution.
J.Biol.Chem., 263, 1988
6YM9
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BU of 6ym9 by Molmil
Mycobacterium tuberculosis FtsZ in complex with GTP-gamma-S
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Cell division protein FtsZ
Authors:Alnami, A.T, Norton, R.S, Pena, H.P, Haider, M, kozielski, F.
Deposit date:2020-04-08
Release date:2021-04-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Conformational Flexibility of A Highly Conserved Helix Controls Cryptic Pocket Formation in FtsZ.
J.Mol.Biol., 433, 2021
6Y1V
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BU of 6y1v by Molmil
Mycobacterium tuberculosis FtsZ-GTP-gamma-S in complex with 4-hydroxycoumarin
Descriptor: 4-HYDROXY-2H-CHROMEN-2-ONE, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Cell division protein FtsZ, ...
Authors:Alnami, A.T, Norton, R.S, Pena, H.P, Haider, M, kozielski, F.
Deposit date:2020-02-13
Release date:2021-06-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Conformational Flexibility of A Highly Conserved Helix Controls Cryptic Pocket Formation in FtsZ.
J.Mol.Biol., 433, 2021
5MVX
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BU of 5mvx by Molmil
Human DLL4 C2-EGF3
Descriptor: Delta-like protein 4, alpha-L-fucopyranose
Authors:Suckling, R.J, Handford, P.A, Lea, S.M.
Deposit date:2017-01-17
Release date:2017-06-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structural and functional dissection of the interplay between lipid and Notch binding by human Notch ligands.
EMBO J., 36, 2017
6O9I
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BU of 6o9i by Molmil
Ternary complex of mouse ECD with Fab1 and Fab2
Descriptor: 1,2-ETHANEDIOL, Fab 2 heavy chain, Fab1 heavy chain, ...
Authors:Min, X, Wang, Z.
Deposit date:2019-03-13
Release date:2020-01-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular mechanism of an antagonistic antibody against glucose-dependent insulinotropic polypeptide receptor.
Mabs, 12, 2020
6O9H
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BU of 6o9h by Molmil
Mouse ECD with Fab1
Descriptor: Gastric inhibitory polypeptide receptor, Heavy chain, Light chain, ...
Authors:Min, X, Wang, Z.
Deposit date:2019-03-13
Release date:2020-01-22
Last modified:2020-04-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular mechanism of an antagonistic antibody against glucose-dependent insulinotropic polypeptide receptor.
Mabs, 12, 2020
5KY2
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BU of 5ky2 by Molmil
mouse POFUT1 in complex with O-glucosylated mouse Factor VII EGF1 and GDP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor VII, GDP-fucose protein O-fucosyltransferase 1, ...
Authors:Li, Z, Rini, J.M.
Deposit date:2016-07-20
Release date:2017-05-17
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Recognition of EGF-like domains by the Notch-modifying O-fucosyltransferase POFUT1.
Nat. Chem. Biol., 13, 2017
7RTX
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BU of 7rtx by Molmil
Actophorin grown in microgravity
Descriptor: Actophorin
Authors:Lieberman, R.L, Quirk, S.
Deposit date:2021-08-16
Release date:2021-12-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Improved resolution crystal structure of Acanthamoeba actophorin reveals structural plasticity not induced by microgravity.
Acta Crystallogr.,Sect.F, 77, 2021
5U01
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BU of 5u01 by Molmil
Cooperative DNA binding by two RelA dimers
Descriptor: DNA (27-MER), Transcription factor p65
Authors:Ghosh, G, Huang, D.
Deposit date:2016-11-22
Release date:2017-09-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:DNA-binding affinity and transcriptional activity of the RelA homodimer of nuclear factor kappa B are not correlated.
J. Biol. Chem., 292, 2017
5KXQ
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BU of 5kxq by Molmil
mouse POFUT1 in complex with GDP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GDP-fucose protein O-fucosyltransferase 1, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Li, Z, Rini, J.M.
Deposit date:2016-07-20
Release date:2017-05-17
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Recognition of EGF-like domains by the Notch-modifying O-fucosyltransferase POFUT1.
Nat. Chem. Biol., 13, 2017

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