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7U1P
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BU of 7u1p by Molmil
RFC:PCNA bound to DNA with a ssDNA gap of five nucleotides
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA - Primer, DNA - Template, ...
Authors:Liu, X, Gaubitz, C, Pajak, J, Kelch, B.A.
Deposit date:2022-02-21
Release date:2022-07-06
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3 Å)
Cite:A second DNA binding site on RFC facilitates clamp loading at gapped or nicked DNA.
Elife, 11, 2022
7U19
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BU of 7u19 by Molmil
RFC:PCNA bound to nicked DNA
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA, MAGNESIUM ION, ...
Authors:Liu, X, Gaubitz, C, Pajak, J, Kelch, B.A.
Deposit date:2022-02-20
Release date:2022-07-06
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:A second DNA binding site on RFC facilitates clamp loading at gapped or nicked DNA.
Elife, 11, 2022
5CX8
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BU of 5cx8 by Molmil
Structure of RagB, a major immunodominant virulence factor of Porphyromonas gingivalis.
Descriptor: 3-deoxy-5-O-phosphono-beta-D-ribofuranose, 3-deoxy-beta-D-glucopyranose, 6-O-phosphono-D-tagatose, ...
Authors:Goulas, T, Garcia-Ferrer, I, Hutcherson, J.A, Potempa, B.A, Potempa, J, Scott, D.A, Gomis-Ruth, F.X.
Deposit date:2015-07-28
Release date:2015-10-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of RagB, a major immunodominant outer-membrane surface receptor antigen of Porphyromonas gingivalis.
Mol Oral Microbiol, 31, 2016
7U1A
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BU of 7u1a by Molmil
RFC:PCNA bound to dsDNA with a ssDNA gap of six nucleotides
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA - Primer, DNA - Template, ...
Authors:Liu, X, Gaubitz, C, Pajak, J, Kelch, B.A.
Deposit date:2022-02-20
Release date:2022-07-06
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:A second DNA binding site on RFC facilitates clamp loading at gapped or nicked DNA.
Elife, 11, 2022
5CT7
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BU of 5ct7 by Molmil
BRAF in Complex with RAF265
Descriptor: 1-methyl-5-({2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl}oxy)-N-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine, Serine/threonine-protein kinase B-raf
Authors:Appleton, B.A.
Deposit date:2015-07-23
Release date:2015-09-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.17 Å)
Cite:Discovery of RAF265: A Potent mut-B-RAF Inhibitor for the Treatment of Metastatic Melanoma.
Acs Med.Chem.Lett., 6, 2015
5D7G
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BU of 5d7g by Molmil
Structure of human ATG5 E122D-ATG16L1 complex at 3.0 Angstroms
Descriptor: Autophagy protein 5, Autophagy-related protein 16-1
Authors:Qiu, Y, Schulman, B.A.
Deposit date:2015-08-13
Release date:2016-02-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Mutation in ATG5 reduces autophagy and leads to ataxia with developmental delay.
Elife, 5, 2016
5DG5
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BU of 5dg5 by Molmil
CRYSTAL STRUCTURE OF THE TYROSINE KINASE DOMAIN OF THE HEPATOCYTE GROWTH FACTOR RECEPTOR C-MET IN COMPLEX WITH ALTIRATINIB ANALOG DP-4157
Descriptor: Hepatocyte growth factor receptor, N-(2,5-difluoro-4-{[2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxam ide
Authors:Smith, B.D, Kaufman, M.D, Leary, C.B, Turner, B.A, Wise, S.A, Ahn, Y.M, Booth, R.J, Caldwell, T.M, Ensinger, C.L, Hood, M.M, Lu, W.-P, Patt, T.W, Patt, W.C, Rutkoski, T.J, Samarakoon, T, Telikepalli, H, Vogeti, L, Vogeti, S, Yates, K.M, Chun, L, Stewart, L.J, Clare, M, Flynn, D.L.
Deposit date:2015-08-27
Release date:2016-08-31
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Altiratinib Inhibits Tumor Growth, Invasion, Angiogenesis, and Microenvironment-Mediated Drug Resistance via Balanced Inhibition of MET, TIE2, and VEGFR2.
Mol.Cancer Ther., 14, 2015
5DVA
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BU of 5dva by Molmil
Fragments bound to the OXA-48 beta-lactamase: Compound 1
Descriptor: 3-(pyridin-4-yl)benzoic acid, Beta-lactamase, CHLORIDE ION
Authors:Lund, B.A, Christopeit, T, Leiros, H.-K.S.
Deposit date:2015-09-21
Release date:2016-06-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.50003886 Å)
Cite:Screening and Design of Inhibitor Scaffolds for the Antibiotic Resistance Oxacillinase-48 (OXA-48) through Surface Plasmon Resonance Screening.
J.Med.Chem., 59, 2016
4MTE
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BU of 4mte by Molmil
Zinc Uptake Regulator Complexed with Zinc and DNA
Descriptor: ZINC ION, Zinc uptake regulation protein, znuABC operator DNA
Authors:Gilston, B.A, Mondragon, A, O'Halloran, T.V.
Deposit date:2013-09-19
Release date:2014-11-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and Mechanistic Basis of Zinc Regulation Across the E. coli Zur Regulon.
Plos Biol., 12, 2014
4MTD
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BU of 4mtd by Molmil
Zinc Uptake Regulator Complexed With Zinc AND DNA
Descriptor: ZINC ION, Zinc uptake regulation protein, znuABC operator DNA
Authors:Gilston, B.A, Mondragon, A, O'Halloran, T.V.
Deposit date:2013-09-19
Release date:2014-11-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and Mechanistic Basis of Zinc Regulation Across the E. coli Zur Regulon.
Plos Biol., 12, 2014
5DN4
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BU of 5dn4 by Molmil
Structure of the glycoside hydrolase domain from Salmonella typhimurium FlgJ
Descriptor: CHLORIDE ION, IODIDE ION, Peptidoglycan hydrolase FlgJ
Authors:Zaloba, P, Bailey-Elkin, B.A, Mark, B.L.
Deposit date:2015-09-09
Release date:2016-02-24
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Biochemical Insights into the Peptidoglycan Hydrolase Domain of FlgJ from Salmonella typhimurium.
Plos One, 11, 2016
5DTT
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BU of 5dtt by Molmil
Fragments bound to the OXA-48 beta-lactamase: Compound 3
Descriptor: 1,2-ETHANEDIOL, 3-(1,3-thiazol-2-yl)benzoic acid, Beta-lactamase, ...
Authors:Lund, B.A, Christopeit, T, Leiros, H.-K.S.
Deposit date:2015-09-18
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.10000539 Å)
Cite:Screening and Design of Inhibitor Scaffolds for the Antibiotic Resistance Oxacillinase-48 (OXA-48) through Surface Plasmon Resonance Screening.
J.Med.Chem., 59, 2016
5DTS
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BU of 5dts by Molmil
Fragments bound to the OXA-48 beta-lactamase: Compound 2
Descriptor: 3-(pyridin-3-yl)benzoic acid, Beta-lactamase, CHLORIDE ION
Authors:Lund, B.A, Christopeit, T, Leiros, H.-K.S.
Deposit date:2015-09-18
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.94015872 Å)
Cite:Screening and Design of Inhibitor Scaffolds for the Antibiotic Resistance Oxacillinase-48 (OXA-48) through Surface Plasmon Resonance Screening.
J.Med.Chem., 59, 2016
5E0U
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BU of 5e0u by Molmil
Human PCNA variant (S228I) complexed with p21 at 1.9 Angstroms
Descriptor: Cyclin-dependent kinase inhibitor 1, Proliferating cell nuclear antigen
Authors:Duffy, C.M, Hilbert, B.J, Kelch, B.A.
Deposit date:2015-09-29
Release date:2016-04-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:A Disease-Causing Variant in PCNA Disrupts a Promiscuous Protein Binding Site.
J.Mol.Biol., 428, 2016
5E0V
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BU of 5e0v by Molmil
Human PCNA variant (S228I) complexed with FEN1 at 2.1 Angstroms
Descriptor: Flap endonuclease 1, Proliferating cell nuclear antigen
Authors:Duffy, C.M, Hilbert, B.J, Kelch, B.A.
Deposit date:2015-09-29
Release date:2016-04-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.074 Å)
Cite:A Disease-Causing Variant in PCNA Disrupts a Promiscuous Protein Binding Site.
J.Mol.Biol., 428, 2016
5E7N
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BU of 5e7n by Molmil
Crystal Structure of RPA70N in complex with VU0085636
Descriptor: 2-({3-[(4-bromophenyl)sulfamoyl]-4-methylbenzoyl}amino)benzoic acid, Replication protein A 70 kDa DNA-binding subunit
Authors:Gilston, B.A, Patrone, J.D, Pelz, N.F, Bates, B.S, Souza-Fagundes, E.M, Vangamudi, B, Camper, D, Kuznetsov, A, Browning, C.F, Feldkamp, M.D, Olejniczak, E.T, Rossanese, O.W, Waterson, A.G, Fesik, S.W, Chazin, W.J.
Deposit date:2015-10-12
Release date:2016-01-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Identification and Optimization of Anthranilic Acid Based Inhibitors of Replication Protein A.
Chemmedchem, 11, 2016
4NW6
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BU of 4nw6 by Molmil
Rsk2 N-terminal kinase in complex with 2-amino-7-substituted benzoxazole compound 27
Descriptor: 7-(1H-benzimidazol-7-yl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine, Ribosomal protein S6 kinase alpha-3
Authors:Appleton, B.A.
Deposit date:2013-12-05
Release date:2014-02-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:2-Amino-7-substituted benzoxazole analogs as potent RSK2 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
5DN5
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BU of 5dn5 by Molmil
Structure of a C-terminally truncated glycoside hydrolase domain from Salmonella typhimurium FlgJ
Descriptor: CHLORIDE ION, IODIDE ION, Peptidoglycan hydrolase FlgJ, ...
Authors:Zaloba, P, Bailey-Elkin, B.A, Mark, B.L.
Deposit date:2015-09-09
Release date:2016-02-24
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural and Biochemical Insights into the Peptidoglycan Hydrolase Domain of FlgJ from Salmonella typhimurium.
Plos One, 11, 2016
5E0T
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BU of 5e0t by Molmil
Human PCNA mutant - S228I
Descriptor: Proliferating cell nuclear antigen
Authors:Duffy, C.M, Hilbert, B.J, Kelch, B.A.
Deposit date:2015-09-29
Release date:2016-04-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6653 Å)
Cite:A Disease-Causing Variant in PCNA Disrupts a Promiscuous Protein Binding Site.
J.Mol.Biol., 428, 2016
5DTK
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BU of 5dtk by Molmil
Fragments bound to the OXA-48 beta-lactamase: Compound 17
Descriptor: 1,2-ETHANEDIOL, 3,5-di(pyridin-4-yl)benzoic acid, Beta-lactamase, ...
Authors:Lund, B.A, Christopeit, T, Leiros, H.-K.S.
Deposit date:2015-09-18
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.60000241 Å)
Cite:Screening and Design of Inhibitor Scaffolds for the Antibiotic Resistance Oxacillinase-48 (OXA-48) through Surface Plasmon Resonance Screening.
J.Med.Chem., 59, 2016
4NDB
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BU of 4ndb by Molmil
X-ray structure of a mutant (T61D) of calexcitin - a neuronal calcium-signalling protein
Descriptor: CALCIUM ION, Calexcitin
Authors:Erskine, P.T, Fokas, A, Muriithi, C, Razzall, E, Bowyer, A, Findlow, I.S, Werner, J.M, Wallace, B.A, Wood, S.P, Cooper, J.B.
Deposit date:2013-10-25
Release date:2014-10-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray, spectroscopic and normal-mode dynamics of calexcitin: structure-function studies of a neuronal calcium-signalling protein.
Acta Crystallogr.,Sect.D, 71, 2015
4NDC
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BU of 4ndc by Molmil
X-ray structure of a mutant (T188D) of calexcitin - a neuronal calcium-signalling protein
Descriptor: CALCIUM ION, Calexcitin
Authors:Erskine, P.T, Fokas, A, Muriithi, C, Razzall, E, Bowyer, A, Findlow, I.S, Werner, J.M, Wallace, B.A, Wood, S.P, Cooper, J.B.
Deposit date:2013-10-25
Release date:2014-10-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray, spectroscopic and normal-mode dynamics of calexcitin: structure-function studies of a neuronal calcium-signalling protein.
Acta Crystallogr.,Sect.D, 71, 2015
4NDD
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BU of 4ndd by Molmil
X-ray structure of a double mutant of calexcitin - a neuronal calcium-signalling protein
Descriptor: CALCIUM ION, Calexcitin
Authors:Erskine, P.T, Fokas, A, Muriithi, C, Razzall, E, Bowyer, A, Findlow, I.S, Werner, J.M, Wallace, B.A, Wood, S.P, Cooper, J.B.
Deposit date:2013-10-25
Release date:2014-10-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:X-ray, spectroscopic and normal-mode dynamics of calexcitin: structure-function studies of a neuronal calcium-signalling protein.
Acta Crystallogr.,Sect.D, 71, 2015
4NUS
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BU of 4nus by Molmil
Rsk2 N-terminal kinase in complex with LJH685
Descriptor: 2,6-difluoro-4-{4-[4-(4-methylpiperazin-1-yl)phenyl]pyridin-3-yl}phenol, Ribosomal protein S6 kinase alpha-3
Authors:Appleton, B.A.
Deposit date:2013-12-04
Release date:2014-03-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Novel potent and selective inhibitors of p90 ribosomal S6 kinase reveal the heterogeneity of RSK function in MAPK-driven cancers.
Mol Cancer Res, 12, 2014
4NW5
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BU of 4nw5 by Molmil
Rsk2 N-terminal kinase in complex with 2-amino-7-substituted benzoxazole compound 8
Descriptor: 7-(2-fluoro-6-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine, Ribosomal protein S6 kinase alpha-3
Authors:Appleton, B.A.
Deposit date:2013-12-05
Release date:2014-02-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:2-Amino-7-substituted benzoxazole analogs as potent RSK2 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014

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