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5HXU
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BU of 5hxu by Molmil
Structure-function analysis of functionally diverse members of the cyclic amide hydrolase family of Toblerone fold enzymes
分子名称: (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, Barbiturase, CHLORIDE ION, ...
著者Peat, T.S, Balotra, S, Wilding, M, Newman, J, Scott, C.
登録日2016-01-31
公開日2017-02-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献High-Resolution X-Ray Structures of Two Functionally Distinct Members of the Cyclic Amide Hydrolase Family of Toblerone Fold Enzymes.
Appl. Environ. Microbiol., 83, 2017
5HY6
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BU of 5hy6 by Molmil
Spodoptera frugiperda eukaryotic translation initiation factor EIF5A
分子名称: Eukaryotic translation initiation factor 5A
著者Li, A.W.H, Oliver, A.W, Pearl, L.H.
登録日2016-02-01
公開日2016-02-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.186 Å)
主引用文献Structure of Spodoptera frugiperda eukaryotic translation initiation factor EIF5A
To Be Published
6RMS
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BU of 6rms by Molmil
The Structure of variant D274E of the Mo-insertase domain Cnx1E from Arabidopsis thaliana in complex with AMP
分子名称: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, IMIDAZOLE, ...
著者Krausze, J.
登録日2019-05-07
公開日2020-02-19
最終更新日2024-01-24
実験手法SOLUTION SCATTERING (1.74 Å), X-RAY DIFFRACTION
主引用文献Insights into the Cnx1E catalyzed MPT-AMP hydrolysis.
Biosci.Rep., 40, 2020
8TDH
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BU of 8tdh by Molmil
Structure of trehalose bound Alistipes sp. Glucoside-3-dehydrogenase AL3
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Predicted dehydrogenases and related proteins, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose
著者Lazarski, A.C, Worrall, L.J, Strynadka, N.C.J.
登録日2023-07-03
公開日2024-06-19
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献An alternative broad-specificity pathway for glycan breakdown in bacteria.
Nature, 631, 2024
6D3E
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BU of 6d3e by Molmil
PPARg LBD in Complex with SR1988
分子名称: 1-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-N-[(1R)-1-phenylpropyl]-1H-indole-5-carboxamide, Peroxisome proliferator-activated receptor gamma
著者Frkic, R.L, Bruning, J.B.
登録日2018-04-15
公開日2019-02-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.395 Å)
主引用文献Structural and Dynamic Elucidation of a Non-acid PPARgammaPartial Agonist: SR1988.
Nucl Receptor Res, 5, 2018
5HZX
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BU of 5hzx by Molmil
Crystal structure of zebrafish MTH1 in complex with TH588
分子名称: ACETATE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Narwal, M, Gustafsson, R, Brautigam, L, Pudelko, L, Jemth, A.-S, Gad, H, Karsten, S, Carreras-Puigvert, J, Homan, E, Berndt, C, Berglund, U.W, Helleday, T, Stenmark, P.
登録日2016-02-03
公開日2016-02-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Hypoxic Signaling and the Cellular Redox Tumor Environment Determine Sensitivity to MTH1 Inhibition.
Cancer Res., 76, 2016
6I7L
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BU of 6i7l by Molmil
Crystal structure of monomeric FICD mutant L258D complexed with MgAMP-PNP
分子名称: Adenosine monophosphate-protein transferase FICD, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Perera, L.A, Yan, Y, Read, R.J, Ron, D.
登録日2018-11-16
公開日2019-09-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献An oligomeric state-dependent switch in the ER enzyme FICD regulates AMPylation and deAMPylation of BiP.
Embo J., 38, 2019
6RJ3
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BU of 6rj3 by Molmil
Crystal structure of PHGDH in complex with compound 15
分子名称: 4-[(1~{R})-1-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]ethyl]benzoic acid, D-3-phosphoglycerate dehydrogenase, SULFATE ION
著者Bader, G, Wolkerstorfer, B, Zoephel, A.
登録日2019-04-26
公開日2019-08-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis.
J.Med.Chem., 62, 2019
8TS0
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BU of 8ts0 by Molmil
Crystal Structure of human ASGR1 CRD (Carbohydrate Recognition Domain) bound to 8M24 Fab
分子名称: 8M24 Fab Heavy chain, 8M24 Fab Light chain, Asialoglycoprotein receptor 1, ...
著者Sampathkumar, P, Li, Y.
登録日2023-08-10
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Targeted protein degradation systems to enhance Wnt signaling.
Elife, 13, 2024
8TD3
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BU of 8td3 by Molmil
Structure of PYCR1 complexed with NADH and (S)-Tetrahydro-2H-pyran-2-carboxylic acid
分子名称: (2S)-oxane-2-carboxylic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, ...
著者Tanner, J.J, Meeks, K.R.
登録日2023-07-02
公開日2024-07-03
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Screening a knowledge-based library of low molecular weight compounds against the proline biosynthetic enzyme 1-pyrroline-5-carboxylate 1 (PYCR1)
Protein Sci., 33, 2024
8TD9
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BU of 8td9 by Molmil
Structure of PYCR1 complexed with NADH and L-pipecolic acid
分子名称: (2S)-piperidine-2-carboxylic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Pyrroline-5-carboxylate reductase 1, ...
著者Tanner, J.J, Meeks, K.R.
登録日2023-07-02
公開日2024-07-03
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Screening a knowledge-based library of low molecular weight compounds against the proline biosynthetic enzyme 1-pyrroline-5-carboxylate 1 (PYCR1)
Protein Sci., 33, 2024
6RK8
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BU of 6rk8 by Molmil
Fragment AZ-014 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 7-(3-azanyl-4-methyl-pyrazol-1-yl)-1-benzothiophene-2-carboximidamide, CHLORIDE ION, ...
著者Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C.
登録日2019-04-30
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6I8F
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BU of 6i8f by Molmil
STRUCTURE OF ESTER-HYDROLASE EH1AB1 FROM THE METAGENOME OF LAKE ARREO
分子名称: DI(HYDROXYETHYL)ETHER, EH1AB1, GLYCEROL, ...
著者Cea-Rama, I, Sanz-Aparicio, J.
登録日2018-11-20
公開日2019-11-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Genetically engineered proteins with two active sites for enhanced biocatalysis and synergistic chemo- and biocatalysis
Nat Catal, 3, 2020
8SWC
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BU of 8swc by Molmil
RNase H complex with ASO (OOO) and RNA
分子名称: CALCIUM ION, PHOSPHATE ION, PO ASO, ...
著者Cho, Y.-J, Iwamoto, N.
登録日2023-05-18
公開日2024-06-19
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Crystal structure of RNase H/RNA/PO-ASO complex at an atomic level
To Be Published
6CC8
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BU of 6cc8 by Molmil
Crystal structure MBD3 MBD domain in complex with methylated CpG DNA
分子名称: Methyl-CpG-binding domain protein 3, UNKNOWN ATOM OR ION, methylated CpG DNA
著者Liu, K, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2018-02-06
公開日2018-04-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural analyses reveal that MBD3 is a methylated CG binder.
Febs J., 286, 2019
6CCQ
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BU of 6ccq by Molmil
Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 2-(3-chlorophenethyl)-1H-benzo[d]imidazol-4-ol
分子名称: 2-[2-(3-chlorophenyl)ethyl]-1H-benzimidazol-7-ol, Phosphopantetheine adenylyltransferase, SULFATE ION
著者Mamo, M, Appleton, B.A.
登録日2018-02-07
公開日2018-03-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria.
J. Med. Chem., 61, 2018
8TD2
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BU of 8td2 by Molmil
Structure of PYCR1 complexed with NADH and cyclobutane-1,1-dicarboxylic acid
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Pyrroline-5-carboxylate reductase 1, mitochondrial, ...
著者Tanner, J.J, Meeks, K.R.
登録日2023-07-02
公開日2024-07-03
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Screening a knowledge-based library of low molecular weight compounds against the proline biosynthetic enzyme 1-pyrroline-5-carboxylate 1 (PYCR1)
Protein Sci., 33, 2024
6RL3
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BU of 6rl3 by Molmil
Fragment AZ-003 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 5-azanyl-4-phenyl-thiophene-2-carboximidamide, CHLORIDE ION, ...
著者Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C.
登録日2019-05-01
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
8TD4
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BU of 8td4 by Molmil
Structure of PYCR1 complexed with NADH and 1,3-Dithiolane-2-carboxylic acid
分子名称: 1,3-dithiolane-2-carboxylic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Pyrroline-5-carboxylate reductase 1, ...
著者Tanner, J.J, Meeks, K.R.
登録日2023-07-02
公開日2024-07-03
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Screening a knowledge-based library of low molecular weight compounds against the proline biosynthetic enzyme 1-pyrroline-5-carboxylate 1 (PYCR1)
Protein Sci., 33, 2024
8TD6
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BU of 8td6 by Molmil
Structure of PYCR1 complexed with NADH and 2-(Methylthio)acetic acid
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Pyrroline-5-carboxylate reductase 1, mitochondrial, ...
著者Tanner, J.J, Meeks, K.R.
登録日2023-07-02
公開日2024-07-03
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Screening a knowledge-based library of low molecular weight compounds against the proline biosynthetic enzyme 1-pyrroline-5-carboxylate 1 (PYCR1)
Protein Sci., 33, 2024
6RL6
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BU of 6rl6 by Molmil
Fragment AZ-024 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, CHLORIDE ION, Cellular tumor antigen p53, ...
著者Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C.
登録日2019-05-01
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
8TDB
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BU of 8tdb by Molmil
Structure of PYCR1 complexed with NADH and 1-hydroxyethane-1-sulfonate
分子名称: (1R)-1-hydroxyethane-1-sulfonic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Pyrroline-5-carboxylate reductase 1, ...
著者Tanner, J.J, Meeks, K.R.
登録日2023-07-02
公開日2024-07-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Screening a knowledge-based library of low molecular weight compounds against the proline biosynthetic enzyme 1-pyrroline-5-carboxylate 1 (PYCR1)
Protein Sci., 33, 2024
8TDC
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BU of 8tdc by Molmil
Structure of PYCR1 complexed with NADH and 1,3-dithiane-2-carboxylic acid
分子名称: 1,3-dithiane-2-carboxylic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Pyrroline-5-carboxylate reductase 1, ...
著者Tanner, J.J, Meeks, K.R.
登録日2023-07-02
公開日2024-07-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Screening a knowledge-based library of low molecular weight compounds against the proline biosynthetic enzyme 1-pyrroline-5-carboxylate 1 (PYCR1)
Protein Sci., 33, 2024
6CD8
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BU of 6cd8 by Molmil
Complex of GID4 fragment with short peptide
分子名称: Glucose-induced degradation protein 4 homolog, Tetrapeptide PSRV, UNKNOWN ATOM OR ION
著者Dong, C, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2018-02-08
公開日2018-03-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Molecular basis of GID4-mediated recognition of degrons for the Pro/N-end rule pathway.
Nat. Chem. Biol., 14, 2018
6ROR
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BU of 6ror by Molmil
REP related 18-mer DNA
分子名称: REP related 18-mer DNA from C. hominis, STRONTIUM ION
著者Kolenko, P, Svoboda, J, Schneider, B.
登録日2019-05-13
公開日2020-07-08
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.601 Å)
主引用文献Structural variability of CG-rich DNA 18-mers accommodating double T-T mismatches.
Acta Crystallogr D Struct Biol, 76, 2020

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件を2024-08-28に公開中

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