7RWO
 
 | | Crystal Structure of BPTF bromodomain in complex with 4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyridazin-3(2H)-one | | Descriptor: | 1,2-ETHANEDIOL, 4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyridazin-3(2H)-one, Nucleosome-remodeling factor subunit BPTF | | Authors: | Zahid, H, Buchholz, C, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K. | | Deposit date: | 2021-08-20 | | Release date: | 2022-08-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition.
J.Med.Chem., 64, 2021
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4G6D
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4G94
 | | G1 ORF67 / Staphyloccus aureus sigmaA domain 4 complex | | Descriptor: | ORF067, RNA polymerase sigma factor rpoD | | Authors: | Darst, S.A, Osmundson, J.S, Montero-Diaz, C.M, Hochschild, A. | | Deposit date: | 2012-07-23 | | Release date: | 2013-01-23 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9971 Å) | | Cite: | Promoter-specific transcription inhibition in Staphylococcus aureus by a phage protein.
Cell(Cambridge,Mass.), 151, 2012
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4H07
 | | Complex of G65T Myoglobin with Phenol in its Proximal Cavity | | Descriptor: | 1,2-ETHANEDIOL, Myoglobin, PHENOL, ... | | Authors: | Lebioda, L, Lovelace, L.L, Celeste, L.R, Huang, X, Wang, C, Shengfang, S, Dawson, J.H. | | Deposit date: | 2012-09-07 | | Release date: | 2012-11-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Complex of myoglobin with phenol bound in a proximal cavity.
Acta Crystallogr.,Sect.F, 68, 2012
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5IJ6
 | | Crystal structure of Enterococcus faecalis lipoate-protein ligase A (lplA-1) in complex with lipoic acid | | Descriptor: | CHLORIDE ION, LIPOIC ACID, Lipoate--protein ligase, ... | | Authors: | Hughes, S.J, Lyle, A.G, Song, J.H, Antoshchenko, T, Park, H. | | Deposit date: | 2016-03-01 | | Release date: | 2017-03-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of Enterococcus faecalis lipoate-protein ligase A (lplA-1) in complex with lipoic acid
to be published
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1UC7
 | | Crystal structure of DsbDgamma | | Descriptor: | Thiol:disulfide interchange protein dsbD | | Authors: | Kim, J.H, Kim, S.J, Jeong, D.G, Son, J.H, Ryu, S.E. | | Deposit date: | 2003-04-09 | | Release date: | 2004-04-27 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of DsbDgamma reveals the mechanism of redox potential shift and substrate specificity(1)
FEBS LETT., 543, 2003
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1N2A
 | | Crystal Structure of a Bacterial Glutathione Transferase from Escherichia coli with Glutathione Sulfonate in the Active Site | | Descriptor: | GLUTATHIONE SULFONIC ACID, Glutathione S-transferase | | Authors: | Rife, C.L, Parsons, J.F, Xiao, G, Gilliland, G.L, Armstrong, R.N. | | Deposit date: | 2002-10-22 | | Release date: | 2003-11-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Conserved structural elements in glutathione transferase homologues encoded in the genome of Escherichia coli
Proteins, 53, 2003
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1MX3
 | | Crystal structure of CtBP dehydrogenase core holo form | | Descriptor: | ACETIC ACID, C-terminal binding protein 1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Kumar, V, Carlson, J.E, Ohgi, K.E, Edwards, T.E, Rose, D.W, Escalante, C.R, Aggarwal, A.K. | | Deposit date: | 2002-10-01 | | Release date: | 2002-12-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Transcription Corepressor CtBP Is an NAD+-Regulated Dehydrogenase
Mol.Cell, 10, 2002
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4W8R
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1XM2
 | | Crystal structure of Human PRL-1 | | Descriptor: | SULFATE ION, Tyrosine Phosphatase | | Authors: | Jeong, D.G, Kim, S.J, Kim, J.H, Son, J.H, Ryu, S.E. | | Deposit date: | 2004-10-01 | | Release date: | 2005-01-25 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Trimeric structure of PRL-1 phosphatase reveals an active enzyme conformation and regulation mechanisms
J.Mol.Biol., 345, 2005
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1ZZW
 | | Crystal Structure of catalytic domain of Human MAP Kinase Phosphatase 5 | | Descriptor: | 1,2-ETHANEDIOL, Dual specificity protein phosphatase 10, SULFATE ION | | Authors: | Jeong, D.G, Yoon, T.S, Kim, J.H, Shim, M.Y, Jeong, S.K, Son, J.H, Ryu, S.E, Kim, S.J. | | Deposit date: | 2005-06-14 | | Release date: | 2006-07-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structure of the Catalytic Domain of Human MAP Kinase Phosphatase 5: Structural Insight into Constitutively Active Phosphatase.
J.Mol.Biol., 360, 2006
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1YZ4
 | | Crystal structure of DUSP15 | | Descriptor: | SULFATE ION, dual specificity phosphatase-like 15 isoform a, octyl beta-D-glucopyranoside | | Authors: | Kim, S.J, Ryu, S.E, Jeong, D.G, Yoon, T.S, Kim, J.H, Cho, Y.H, Jeong, S.K, Lee, J.W, Son, J.H. | | Deposit date: | 2005-02-28 | | Release date: | 2005-11-01 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of the catalytic domain of human VHY, a dual-specificity protein phosphatase
Proteins, 61, 2005
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3LRD
 | | Self-assembly of spider silk proteins is controlled by a pH-sensitive relay | | Descriptor: | 1,2-ETHANEDIOL, Major ampullate spidroin 1, TRIETHYLENE GLYCOL | | Authors: | Askarieh, G, Hedhammar, H, Nordling, K, Rising, A, Johansson, J, Knight, S.D, Saenz, A, Casals, C. | | Deposit date: | 2010-02-11 | | Release date: | 2010-05-12 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Self-assembly of spider silk proteins is controlled by a pH-sensitive relay.
Nature, 465, 2010
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3LST
 | | Crystal Structure of CalO1, Methyltransferase in Calicheamicin Biosynthesis, SAH bound form | | Descriptor: | 1,2-ETHANEDIOL, CalO1 Methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Chang, A, Singh, S, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG) | | Deposit date: | 2010-02-12 | | Release date: | 2010-03-02 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural characterization of CalO1: a putative orsellinic acid methyltransferase in the calicheamicin-biosynthetic pathway.
Acta Crystallogr.,Sect.D, 67, 2011
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4V9D
 | | Structures of the bacterial ribosome in classical and hybrid states of tRNA binding | | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | Authors: | Dunkle, J.A, Wang, L, Feldman, M.B, Pulk, A, Chen, V.B, Kapral, G.J, Noeske, J, Richardson, J.S, Blanchard, S.C, Cate, J.H.D. | | Deposit date: | 2012-07-31 | | Release date: | 2014-07-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structures of the bacterial ribosome in classical and hybrid states of tRNA binding.
Science, 332, 2011
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4W8Q
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7E3S
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7E3R
 | | Crystal structure of TrmL from Vibrio vulnificus | | Descriptor: | tRNA (cytidine(34)-2'-O)-methyltransferase | | Authors: | Kim, J, Son, J. | | Deposit date: | 2021-02-09 | | Release date: | 2022-02-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Crystal structure of tRNA mehtyltransferase TrmL from Vibrio vulnificus
To be published
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7E3T
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8PVA
 | | Structure of bacterial ribosome determined by cryoEM at 100 keV | | Descriptor: | 16S rRNA, 23S rRNA, 50S ribosomal protein L14, ... | | Authors: | McMullan, G, Naydenova, K, Mihaylov, D, Peet, M.J, Wilson, H, Yamashita, K, Dickerson, J.L, Chen, S, Cannone, G, Lee, Y, Hutchings, K.A, Gittins, O, Sobhy, M, Wells, T, El-Gomati, M.M, Dalby, J, Meffert, M, Schulze-Briese, C, Henderson, R, Russo, C.J. | | Deposit date: | 2023-07-17 | | Release date: | 2023-11-29 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Structure determination by cryoEM at 100 keV.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8PVB
 | | Structure of GABAAR determined by cryoEM at 100 keV | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, DECANE, ... | | Authors: | McMullan, G, Naydenova, K, Mihaylov, D, Peet, M.J, Wilson, H, Yamashita, K, Dickerson, J.L, Chen, S, Cannone, G, Lee, Y, Hutchings, K.A, Gittins, O, Sobhy, M, Wells, T, El-Gomati, M.M, Dalby, J, Meffert, M, Schulze-Briese, C, Henderson, R, Russo, C.J. | | Deposit date: | 2023-07-17 | | Release date: | 2023-11-29 | | Last modified: | 2024-01-31 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structure determination by cryoEM at 100 keV.
Proc.Natl.Acad.Sci.USA, 120, 2023
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7E3Q
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8V8I
 | | PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket (compound 5). | | Descriptor: | (2S)-N~1~-[(4P)-2-tert-butyl-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]pyrrolidine-1,2-dicarboxamide, CHLORIDE ION, N-{(3S)-3-(2-methylphenyl)-6-[(oxetan-3-yl)amino]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}-1-benzothiophene-3-carboxamide, ... | | Authors: | Gunn, R.J, Lawson, J.D. | | Deposit date: | 2023-12-05 | | Release date: | 2024-03-20 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein.
J.Med.Chem., 67, 2024
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8V8U
 | | PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket near H1047R (compound 12). | | Descriptor: | (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, (3S)-9-[(1R)-1-(2-carboxyanilino)ethyl]-3-cyano-7-methyl-4-oxo-2-(piperidin-1-yl)-3,4-dihydropyrido[1,2-a]pyrimidin-5-ium, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | | Authors: | Gunn, R.J, Lawson, J.D. | | Deposit date: | 2023-12-06 | | Release date: | 2024-03-20 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.93 Å) | | Cite: | Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein.
J.Med.Chem., 67, 2024
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8V8H
 | | PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket near H1047R (compound 4). | | Descriptor: | (2S)-N~1~-[(4P)-2-tert-butyl-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]pyrrolidine-1,2-dicarboxamide, 2-({(1R)-1-[2-(4,4-dimethylpiperidin-1-yl)-3,6-dimethyl-4-oxo-4H-1-benzopyran-8-yl]ethyl}amino)benzoic acid, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | | Authors: | Gunn, R.J, Lawson, J.D. | | Deposit date: | 2023-12-05 | | Release date: | 2024-03-20 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (3.58 Å) | | Cite: | Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein.
J.Med.Chem., 67, 2024
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