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5J9F
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BU of 5j9f by Molmil
Human GAR transformylase in complex with GAR and (4-{[2-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl]amino}benzoyl)-L-glutamic acid (AGF183)
Descriptor: GLYCINAMIDE RIBONUCLEOTIDE, N-(4-{[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl]amino}benzene-1-carbonyl)-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3
Authors:Wong, J, Deis, S.M, Dann III, C.E.
Deposit date:2016-04-09
Release date:2016-08-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Tumor Targeting with Novel 6-Substituted Pyrrolo [2,3-d] Pyrimidine Antifolates with Heteroatom Bridge Substitutions via Cellular Uptake by Folate Receptor alpha and the Proton-Coupled Folate Transporter and Inhibition of de Novo Purine Nucleotide Biosynthesis.
J.Med.Chem., 59, 2016
5IAY
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BU of 5iay by Molmil
NMR structure of UHRF1 Tandem Tudor Domains in a complex with Spacer peptide
Descriptor: E3 ubiquitin-protein ligase UHRF1, Spacer
Authors:Fang, J, Cheng, J, Wang, J, Zhang, Q, Liu, M, Gong, R, Wang, P, Zhang, X, Feng, Y, Lan, W, Gong, Z, Tang, C, Wong, J, Yang, H, Cao, C, Xu, Y.
Deposit date:2016-02-22
Release date:2016-04-20
Method:SOLUTION NMR
Cite:Hemi-methylated DNA opens a closed conformation of UHRF1 to facilitate its histone recognition
Nat Commun, 7, 2016
4PW6
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BU of 4pw6 by Molmil
structure of UHRF2-SRA in complex with a 5hmC-containing DNA, complex II
Descriptor: 5hmC-containing DNA1, 5hmC-containing DNA2, E3 ubiquitin-protein ligase UHRF2
Authors:Zhou, T, Xiong, J, Wang, M, Yang, N, Wong, J, Zhu, B, Xu, R.M.
Deposit date:2014-03-18
Release date:2014-05-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.789 Å)
Cite:Structural Basis for Hydroxymethylcytosine Recognition by the SRA Domain of UHRF2.
Mol.Cell, 54, 2014
4PW5
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BU of 4pw5 by Molmil
structure of UHRF2-SRA in complex with a 5hmC-containing DNA, complex I
Descriptor: 5hmC-containing DNA1, 5hmC-containing DNA2, E3 ubiquitin-protein ligase UHRF2
Authors:ZHou, T, Xiong, J, Wang, M, Yang, N, Wong, J, Zhu, B, Xu, R.M.
Deposit date:2014-03-18
Release date:2014-05-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.204 Å)
Cite:Structural Basis for Hydroxymethylcytosine Recognition by the SRA Domain of UHRF2.
Mol.Cell, 54, 2014
4PW7
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BU of 4pw7 by Molmil
structure of UHRF2-SRA in complex with a 5mC-containing DNA
Descriptor: 5mC-containing DNA1, 5mC-containing DNA2, E3 ubiquitin-protein ligase UHRF2
Authors:ZHou, T, Xiong, J, Wang, M, Yang, N, Wong, J, Zhu, B, Xu, R.M.
Deposit date:2014-03-19
Release date:2014-05-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Structural Basis for Hydroxymethylcytosine Recognition by the SRA Domain of UHRF2.
Mol.Cell, 54, 2014
4XCM
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BU of 4xcm by Molmil
Crystal structure of the putative NlpC/P60 D,L endopeptidase from T. thermophilus
Descriptor: Cell wall-binding endopeptidase-related protein
Authors:Wong, J, Midtgaard, S, Gysel, K, Thygesen, M.B, Sorensen, K.K, Jensen, K.J, Stougaard, J, Thirup, S, Blaise, M.
Deposit date:2014-12-18
Release date:2015-01-14
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:An intermolecular binding mechanism involving multiple LysM domains mediates carbohydrate recognition by an endopeptidase.
Acta Crystallogr.,Sect.D, 71, 2015
8DS5
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BU of 8ds5 by Molmil
X-ray structure of the MK5890 Fab - CD27 antibody-antigen complex
Descriptor: CADMIUM ION, CD27 antigen, MK-5890 Fab heavy chain, ...
Authors:Fischmann, T.O.
Deposit date:2022-07-21
Release date:2022-09-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.926 Å)
Cite:Preclinical characterization and clinical translation of pharmacodynamic markers for MK-5890: a human CD27 activating antibody for cancer immunotherapy.
J Immunother Cancer, 10, 2022
1A81
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BU of 1a81 by Molmil
CRYSTAL STRUCTURE OF THE TANDEM SH2 DOMAIN OF THE SYK KINASE BOUND TO A DUALLY TYROSINE-PHOSPHORYLATED ITAM
Descriptor: SYK KINASE, T-CELL SURFACE GLYCOPROTEIN CD3 EPSILON CHAIN
Authors:Fuetterer, K, Waksman, G.
Deposit date:1998-03-31
Release date:1998-10-21
Last modified:2016-05-25
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for Syk tyrosine kinase ubiquity in signal transduction pathways revealed by the crystal structure of its regulatory SH2 domains bound to a dually phosphorylated ITAM peptide.
J.Mol.Biol., 281, 1998
4QPO
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BU of 4qpo by Molmil
Mechanistic basis of plasmid-specific DNA binding of the F plasmid regulatory protein, TraM
Descriptor: PHOSPHATE ION, Relaxosome protein TraM
Authors:Peng, Y, Lu, J, Wong, J, Edwards, R.A, Frost, L.S, Glover, J.N.M.
Deposit date:2014-06-24
Release date:2014-09-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:Mechanistic Basis of Plasmid-Specific DNA Binding of the F Plasmid Regulatory Protein, TraM.
J.Mol.Biol., 426, 2014
4QPQ
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BU of 4qpq by Molmil
Mechanistic basis of plasmid-specific DNA binding of the F plasmid regulatory protein, TraM
Descriptor: Relaxosome protein TraM, sbmA DNA1, sbmA DNA2
Authors:Peng, Y, Lu, J, Wong, J, Edwards, R.A, Frost, L.S, Glover, J.N.M.
Deposit date:2014-06-24
Release date:2014-09-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.106 Å)
Cite:Mechanistic Basis of Plasmid-Specific DNA Binding of the F Plasmid Regulatory Protein, TraM.
J.Mol.Biol., 426, 2014
8GU0
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BU of 8gu0 by Molmil
Crystal structure of a fungal halogenase RadH
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Non-heme halogenase radH, ...
Authors:Jiang, S.M, Brown, C.J.
Deposit date:2022-09-09
Release date:2023-07-26
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Further Characterization of Fungal Halogenase RadH and Its Homologs.
Biomolecules, 13, 2023
4S1G
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BU of 4s1g by Molmil
Renin in complex with (S)-1-(3-fluoro-5-(((S)-1-phenylethyl)carbamoyl)benzyl)-4-isopropyl-4-methyl-6-oxotetrahydropyrimidin-2(1H)-iminium
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-{[(4S)-2-amino-4-methyl-6-oxo-4-(propan-2-yl)-5,6-dihydropyrimidin-1(4H)-yl]methyl}-5-fluoro-N-[(1S)-1-phenylethyl]benzamide, Renin
Authors:Orth, P.
Deposit date:2015-01-13
Release date:2015-02-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Iminopyrimidinones: A novel pharmacophore for the development of orally active renin inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
5IZQ
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BU of 5izq by Molmil
Crystal structure of human folate receptor alpha in complex with novel antifolate AGF183
Descriptor: Folate receptor alpha, N-(4-{[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl]amino}benzene-1-carbonyl)-L-glutamic acid
Authors:Ke, J, Gu, X, Brunzelle, J.S, Xu, H.E, Melcher, K.
Deposit date:2016-03-25
Release date:2016-08-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Tumor Targeting with Novel 6-Substituted Pyrrolo [2,3-d] Pyrimidine Antifolates with Heteroatom Bridge Substitutions via Cellular Uptake by Folate Receptor alpha and the Proton-Coupled Folate Transporter and Inhibition of de Novo Purine Nucleotide Biosynthesis.
J.Med.Chem., 59, 2016
7P08
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BU of 7p08 by Molmil
Solution structure of the human SF3A1 ubiquitin-like domain
Descriptor: Isoform 1 of Splicing factor 3A subunit 1
Authors:de Vries, T, Campagne, S, Allain, F.H.T.
Deposit date:2021-06-29
Release date:2022-02-09
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Sequence-specific RNA recognition by an RGG motif connects U1 and U2 snRNP for spliceosome assembly.
Proc.Natl.Acad.Sci.USA, 119, 2022
7P0V
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BU of 7p0v by Molmil
Crystal structure of human SF3A1 ubiquitin-like domain in complex with U1 snRNA stem-loop 4
Descriptor: Isoform 2 of Splicing factor 3A subunit 1, PENTAETHYLENE GLYCOL, RNA (5'-R(P*GP*GP*GP*GP*AP*CP*UP*GP*CP*GP*UP*UP*CP*GP*CP*GP*CP*UP*UP*UP*CP*CP*CP*C)-3'), ...
Authors:Sabath, K, de Vries, T, Jonas, S.
Deposit date:2021-06-30
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Sequence-specific RNA recognition by an RGG motif connects U1 and U2 snRNP for spliceosome assembly.
Proc.Natl.Acad.Sci.USA, 119, 2022
4XX4
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BU of 4xx4 by Molmil
Renin in complex with (4S)-4-isopropyl-4-methyl-6-oxo-1-(3-(2-oxo-4-phenylpyrrolidin-1-yl)benzyl)tetrahydropyrimidin-2(1H)-iminium
Descriptor: (2Z,6S)-2-imino-6-methyl-3-{3-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]benzyl}-6-(propan-2-yl)tetrahydropyrimidin-4(1H)-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin
Authors:Orth, P.
Deposit date:2015-01-29
Release date:2015-02-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Iminopyrimidinones: a novel pharmacophore for the development of orally active renin inhibitors.
Bioorg. Med. Chem. Lett., 25, 2015
4XX3
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BU of 4xx3 by Molmil
Renin in complex with (S)-1-(3-(benzylcarbamoyl)benzyl)-4-isopropyl-4-methyl-6-oxotetrahydropyrimidin-2(1H)-iminium
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-benzyl-3-{[(2Z,4S)-2-imino-4-methyl-6-oxo-4-(propan-2-yl)tetrahydropyrimidin-1(2H)-yl]methyl}benzamide, Renin
Authors:Orth, P.
Deposit date:2015-01-29
Release date:2015-02-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Iminopyrimidinones: a novel pharmacophore for the development of orally active renin inhibitors.
Bioorg. Med. Chem. Lett., 25, 2015
6NAO
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BU of 6nao by Molmil
Discovery of a high affinity inhibitor of cGAS
Descriptor: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid, CYCLIC GMP-AMP SYNTHASE, ZINC ION
Authors:Hall, J.
Deposit date:2018-12-06
Release date:2018-12-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.23 Å)
Cite:Discovery of PF-06928215 as a high affinity inhibitor of cGAS enabled by a novel fluorescence polarization assay.
PLoS ONE, 12, 2017
6LHM
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BU of 6lhm by Molmil
Structure of human PYCR2
Descriptor: Pyrroline-5-carboxylate reductase 2
Authors:Baburajendran, N.
Deposit date:2019-12-09
Release date:2020-10-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Loss of PYCR2 Causes Neurodegeneration by Increasing Cerebral Glycine Levels via SHMT2.
Neuron, 107, 2020
5V8O
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BU of 5v8o by Molmil
Discovery of a high affinity inhibitor of cGAS
Descriptor: 5-phenyltetrazolo[1,5-a]pyrimidin-7-ol, Cyclic GMP-AMP synthase, ZINC ION
Authors:Hall, J.
Deposit date:2017-03-22
Release date:2017-09-27
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Discovery of PF-06928215 as a high affinity inhibitor of cGAS enabled by a novel fluorescence polarization assay.
PLoS ONE, 12, 2017
7D0P
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BU of 7d0p by Molmil
Crystal structure of human HBO1-BRPF2 in complex with propionyl-coenzyme A
Descriptor: BRD1 protein, CHLORIDE ION, Histone acetyltransferase KAT7, ...
Authors:Li, W, Ding, J.
Deposit date:2020-09-11
Release date:2021-07-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:HBO1 is a versatile histone acyltransferase critical for promoter histone acylations.
Nucleic Acids Res., 49, 2021
7D0Q
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BU of 7d0q by Molmil
Crystal structure of human HBO1-BRPF2 in complex with butyryl-coenzyme A
Descriptor: 1,2-ETHANEDIOL, BRD1 protein, Butyryl Coenzyme A, ...
Authors:Li, W, Ding, J.
Deposit date:2020-09-11
Release date:2021-07-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:HBO1 is a versatile histone acyltransferase critical for promoter histone acylations.
Nucleic Acids Res., 49, 2021
7D0S
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BU of 7d0s by Molmil
Crystal structure of human HBO1-BRPF2 in complex with succinyl-coenzyme A
Descriptor: BRD1 protein, Histone acetyltransferase KAT7, SUCCINYL-COENZYME A, ...
Authors:Li, W, Ding, J.
Deposit date:2020-09-11
Release date:2021-07-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:HBO1 is a versatile histone acyltransferase critical for promoter histone acylations.
Nucleic Acids Res., 49, 2021
7D0O
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BU of 7d0o by Molmil
Crystal structure of human HBO1-BRPF2 in apo form
Descriptor: 1,2-ETHANEDIOL, BRD1 protein, Histone acetyltransferase KAT7, ...
Authors:Li, W, Ding, J.
Deposit date:2020-09-11
Release date:2021-07-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:HBO1 is a versatile histone acyltransferase critical for promoter histone acylations.
Nucleic Acids Res., 49, 2021
7D0R
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BU of 7d0r by Molmil
Crystal structure of human HBO1-BRPF2 in complex with crotonoyl-coenzyme A
Descriptor: 1,2-ETHANEDIOL, BRD1 protein, CROTONYL COENZYME A, ...
Authors:Li, W, Ding, J.
Deposit date:2020-09-11
Release date:2021-07-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:HBO1 is a versatile histone acyltransferase critical for promoter histone acylations.
Nucleic Acids Res., 49, 2021

 

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