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4S30
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BU of 4s30 by Molmil
ERK2 intrinsically active mutant (I84A)
Descriptor: Mitogen-activated protein kinase 1
Authors:Livnah, O, Karamansha, Y.
Deposit date:2015-01-26
Release date:2016-01-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Multiple mechanisms render Erk proteins MEK-independent
To be Published
6RW4
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BU of 6rw4 by Molmil
Structure of human mitochondrial 28S ribosome in complex with mitochondrial IF3
Descriptor: 12S mitochondrial rRNA, 28S ribosomal protein S10, mitochondrial, ...
Authors:Itoh, Y, Khawaja, A, Rorbach, J, Amunts, A.
Deposit date:2019-06-03
Release date:2020-06-03
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Distinct pre-initiation steps in human mitochondrial translation.
Nat Commun, 11, 2020
4GIG
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BU of 4gig by Molmil
crystal structure of T69A mutant of trapped Dnae intein precursor
Descriptor: DNA polymerase III subunit alpha, SULFATE ION
Authors:Van Roey, P.
Deposit date:2012-08-08
Release date:2013-03-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A conserved threonine spring-loads precursor for intein splicing.
Protein Sci., 22, 2013
4X3R
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BU of 4x3r by Molmil
Avi-GCPII structure in complex with FITC-conjugated GCPII-specific inhibitor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Tykvart, J, Konvalinka, J.
Deposit date:2014-12-01
Release date:2015-10-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Design of highly potent urea-based, exosite-binding inhibitors selective for glutamate carboxypeptidase II.
J.Med.Chem., 58, 2015
4X5P
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BU of 4x5p by Molmil
Crystal structure of FimH in complex with a benzoyl-amidophenyl alpha-D-mannopyranoside
Descriptor: 4-{[3-chloro-4-(alpha-D-mannopyranosyloxy)phenyl]carbamoyl}benzoic acid, Protein FimH
Authors:Preston, R.C, Jakob, R.P, Fiege, B, Zihlmann, P, Rabbani, S, Schwardt, O, Jiang, X, Ernst, B, Maier, T.
Deposit date:2014-12-05
Release date:2015-05-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (0.997 Å)
Cite:The Tyrosine Gate of the Bacterial Lectin FimH: A Conformational Analysis by NMR Spectroscopy and X-ray Crystallography.
Chembiochem, 16, 2015
6RMN
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BU of 6rmn by Molmil
DNA mismatch repair proteins MLH1 and MLH3
Descriptor: DNA mismatch repair protein MLH1, DNA mismatch repair protein MLH3, ZINC ION
Authors:Dai, J, Chervy, P, Legrand, P, Ropars, V, Charbonnier, J.B.
Deposit date:2019-05-07
Release date:2021-05-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Molecular basis of the dual role of the Mlh1-Mlh3 endonuclease in MMR and in meiotic crossover formation.
Proc.Natl.Acad.Sci.USA, 118, 2021
4X50
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BU of 4x50 by Molmil
Crystal structure of FimH in complex with biphenyl alpha-D-mannopyranoside
Descriptor: Protein FimH, biphenyl-4-yl alpha-D-mannopyranoside
Authors:Preston, R.C, Jakob, R.P, Fiege, B, Zihlmann, P, Rabbani, S, Schwardt, O, Jiang, X, Ernst, B, Maier, T.
Deposit date:2014-12-04
Release date:2015-05-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Tyrosine Gate of the Bacterial Lectin FimH: A Conformational Analysis by NMR Spectroscopy and X-ray Crystallography.
Chembiochem, 16, 2015
4RLP
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BU of 4rlp by Molmil
Human p70s6k1 with ruthenium-based inhibitor FL772
Descriptor: CHLORIDE ION, [(amino-kappaN)methanethiolato](3-fluoro-9-methoxypyrido[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H,12H)-dionato-kappa~2~N,N')(N-methyl-1,4,7-trithiecan-9-amine-kappa~3~S~1~,S~4~,S~7~)ruthenium, p70S6K1
Authors:Domsic, J.F, Barber-Rotenberg, J, Salami, J, Qin, J, Marmorstein, R.
Deposit date:2014-10-17
Release date:2015-01-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Development of Organometallic S6K1 Inhibitors.
J.Med.Chem., 58, 2015
4RM9
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BU of 4rm9 by Molmil
Crystal structure of human ezrin in space group C2221
Descriptor: Ezrin
Authors:Phang, J.M, Harrop, S.J, Davies, R, Duff, A.P, Wilk, K.E, Curmi, P.M.G.
Deposit date:2014-10-21
Release date:2015-12-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural characterization suggests models for monomeric and dimeric forms of full-length ezrin.
Biochem. J., 473, 2016
6S9W
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BU of 6s9w by Molmil
Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 16a
Descriptor: RAC-alpha serine/threonine-protein kinase, ~{N}-[3-[1-[[4-(5-methyl-6-oxidanylidene-3-phenyl-1~{H}-pyrazin-2-yl)phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide
Authors:Landel, I, Mueller, M.P, Rauh, D.
Deposit date:2019-07-15
Release date:2019-10-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Covalent-Allosteric Inhibitors to Achieve Akt Isoform-Selectivity.
Angew.Chem.Int.Ed.Engl., 58, 2019
4RV1
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BU of 4rv1 by Molmil
Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium (NESG) Target OR497.
Descriptor: ACETATE ION, Engineered Protein OR497
Authors:Vorobiev, S, Parmeggiani, F, Seetharaman, J, Xiao, R, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2014-11-24
Release date:2014-12-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.573 Å)
Cite:Crystal Structure of Engineered Protein OR497.
To be Published
4X5Q
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BU of 4x5q by Molmil
Crystal structure of FimH in complex with 5-nitro-indolinylphenyl alpha-D-mannopyranoside
Descriptor: 4-(5-nitro-1H-indol-1-yl)phenyl alpha-D-mannopyranoside, Protein FimH
Authors:Preston, R.C, Jakob, R.P, Fiege, B, Zihlmann, P, Rabbani, S, Schwardt, O, Jiang, X, Ernst, B, Maier, T.
Deposit date:2014-12-05
Release date:2015-05-20
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:The Tyrosine Gate of the Bacterial Lectin FimH: A Conformational Analysis by NMR Spectroscopy and X-ray Crystallography.
Chembiochem, 16, 2015
6S9X
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BU of 6s9x by Molmil
Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 15c
Descriptor: RAC-alpha serine/threonine-protein kinase, ~{N}-[3-[1-[[4-[5-[(4-hydroxyphenyl)methyl]-6-oxidanylidene-2-phenyl-1~{H}-pyrazin-3-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide
Authors:Landel, I, Mueller, M.P, Rauh, D.
Deposit date:2019-07-15
Release date:2019-10-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Covalent-Allosteric Inhibitors to Achieve Akt Isoform-Selectivity.
Angew.Chem.Int.Ed.Engl., 58, 2019
4G69
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BU of 4g69 by Molmil
Structure of the Human Discs Large 1 PDZ2 - Adenomatous Polyposis Coli Cytoskeletal Polarity Complex
Descriptor: Adenomatous polyposis coli protein, Disks large homolog 1
Authors:Slep, K.C.
Deposit date:2012-07-18
Release date:2012-12-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the Human Discs Large 1 PDZ2- Adenomatous Polyposis Coli Cytoskeletal Polarity Complex: Insight into Peptide Engagement and PDZ Clustering.
Plos One, 7, 2012
4RKW
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BU of 4rkw by Molmil
Crystal structure of DJ-1
Descriptor: Protein DJ-1
Authors:Liddington, R.C.
Deposit date:2014-10-14
Release date:2015-08-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Transnitrosylation from DJ-1 to PTEN attenuates neuronal cell death in parkinson's disease models.
J.Neurosci., 34, 2014
4RLO
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BU of 4rlo by Molmil
Human p70s6k1 with ruthenium-based inhibitor EM5
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Domsic, J.F, Barber-Rotenberg, J, Salami, J, Qin, J, Marmorstein, R.
Deposit date:2014-10-17
Release date:2015-01-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.527 Å)
Cite:Development of Organometallic S6K1 Inhibitors.
J.Med.Chem., 58, 2015
4WUD
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BU of 4wud by Molmil
N-terminal 43 kDa fragment of the E. coli DNA gyrase B subunit grown from no salt condition
Descriptor: CHLORIDE ION, DNA gyrase subunit B, MAGNESIUM ION, ...
Authors:Hearnshaw, S.J, Chung, T.T, Stevenson, C.E.M, Maxwell, A, Lawson, D.M.
Deposit date:2014-10-31
Release date:2015-04-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The role of monovalent cations in the ATPase reaction of DNA gyrase
Acta Crystallogr.,Sect.D, 71, 2015
6SEH
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BU of 6seh by Molmil
Recognition and processing of branched DNA substrates by Slx1-Slx4 nuclease
Descriptor: Structure-specific endonuclease subunit SLX1, Structure-specific endonuclease subunit SLX4, ZINC ION
Authors:Gaur, V, Zajko, W, Nirwal, S, Szlachcic, A, Gapinska, M, Nowotny, M.
Deposit date:2019-07-30
Release date:2019-09-25
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Recognition and processing of branched DNA substrates by Slx1-Slx4 nuclease.
Nucleic Acids Res., 47, 2019
4RU2
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BU of 4ru2 by Molmil
Crystal structure of a RNA-binding protein 39 (RBM39) in complex with fragment of splicing factor (U2AF) from Mus musculus at 2.20 A resolution
Descriptor: RNA-binding protein 39 (RBM39), Splicing factor U2AF 65 kDa subunit
Authors:Joint Center for Structural Genomics (JCSG), Partnership for T-Cell Biology (TCELL)
Deposit date:2014-11-17
Release date:2015-02-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of a RNA-binding protein 39 (RBM39) in complex with fragment of splicing factor (U2AF) from Mus musculus at 2.20 A resolution
To be published
6Q7K
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BU of 6q7k by Molmil
ERK2 mini-fragment binding
Descriptor: 1H-imidazol-2-amine, Mitogen-activated protein kinase 1, SULFATE ION
Authors:O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H.
Deposit date:2018-12-13
Release date:2019-03-27
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
4WX4
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BU of 4wx4 by Molmil
Crystal structure of adenovirus 8 protease in complex with a nitrile inhibitor
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCINE, N-[(2-cyanopyrimidin-4-yl)methyl]-3-[2-(3,5-dichlorophenyl)-2-methylpropanoyl]-4-methoxybenzamide, ...
Authors:Grosche, P, Sirockin, F, Mac Sweeney, A, Ramage, P, Erbel, P, Melkko, S, Bernardi, A, Hughes, N, Ellis, D, Combrink, K, Jarousse, N, Altmann, E.
Deposit date:2014-11-13
Release date:2015-01-14
Last modified:2015-01-28
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:Structure-based design and optimization of potent inhibitors of the adenoviral protease.
Bioorg.Med.Chem.Lett., 25, 2015
6SKL
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BU of 6skl by Molmil
Cryo-EM structure of the CMG Fork Protection Complex at a replication fork - Conformation 1
Descriptor: Cell division control protein 45, Chromosome segregation in meiosis protein 3, DNA fork, ...
Authors:Yeeles, J, Baretic, D, Jenkyn-Bedford, M.
Deposit date:2019-08-16
Release date:2020-05-06
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Cryo-EM Structure of the Fork Protection Complex Bound to CMG at a Replication Fork.
Mol.Cell, 78, 2020
4X22
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BU of 4x22 by Molmil
Crystal structure of Leptospira Interrogans Triosephosphate Isomerase (LiTIM)
Descriptor: 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, Triosephosphate isomerase
Authors:Pareek, V, Balaram, P, Murthy, M.R.N.
Deposit date:2014-11-25
Release date:2016-02-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.084 Å)
Cite:Connecting Active-Site Loop Conformations and Catalysis in Triosephosphate Isomerase: Insights from a Rare Variation at Residue 96 in the Plasmodial Enzyme
Chembiochem, 17, 2016
4WXJ
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BU of 4wxj by Molmil
Drosophila muscle GluRIIB complex with glutamate
Descriptor: GLUTAMIC ACID, Glutamate receptor IIB,Glutamate receptor IIB
Authors:Dharkar, P, Mayer, M.L.
Deposit date:2014-11-13
Release date:2015-04-29
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Functional reconstitution of Drosophila melanogaster NMJ glutamate receptors.
Proc.Natl.Acad.Sci.USA, 112, 2015
6PTJ
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BU of 6ptj by Molmil
Structure of Ctf4 trimer in complex with one CMG helicase
Descriptor: Cell division control protein 45, DNA polymerase alpha-binding protein, DNA replication complex GINS protein PSF1, ...
Authors:Yuan, Z, Georgescu, R, Bai, L, Santos, R, Donnell, M, Li, H.
Deposit date:2019-07-15
Release date:2019-11-20
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Ctf4 organizes sister replisomes and Pol alpha into a replication factory.
Elife, 8, 2019

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