6H1O
| Structure of the BM3 heme domain in complex with voriconazole | Descriptor: | 1,2-ETHANEDIOL, Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, ... | Authors: | Jeffreys, L.N, Munro, A.W.M, Leys, D. | Deposit date: | 2018-07-12 | Release date: | 2019-02-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.734 Å) | Cite: | Novel insights into P450 BM3 interactions with FDA-approved antifungal azole drugs. Sci Rep, 9, 2019
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5M36
| The molecular tweezer CLR01 stabilizes a disordered protein-protein interface | Descriptor: | (1R,5S,9S,16R,20R,24S,28S,35R)-3,22-Bis(dihydroxyphosphoryloxy)tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2(23),3,6,8(17),10,12,14,18,21,25,27(36),29,31,33,37-pentadecaene, 14-3-3 protein zeta/delta, BENZOIC ACID, ... | Authors: | Bier, D, Ottmann, C. | Deposit date: | 2016-10-14 | Release date: | 2017-11-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | The Molecular Tweezer CLR01 Stabilizes a Disordered Protein-Protein Interface. J. Am. Chem. Soc., 139, 2017
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5M37
| The molecular tweezer CLR01 stabilizes a disordered protein-protein interface | Descriptor: | (1R,5S,9S,16R,20R,24S,28S,35R)-3,22-Bis(dihydroxyphosphoryloxy)tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2(23),3,6,8(17),10,12,14,18,21,25,27(36),29,31,33,37-pentadecaene, 14-3-3 protein zeta/delta, BENZOIC ACID, ... | Authors: | Bier, D, Ottmann, C. | Deposit date: | 2016-10-14 | Release date: | 2017-11-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | The Molecular Tweezer CLR01 Stabilizes a Disordered Protein-Protein Interface. J. Am. Chem. Soc., 139, 2017
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2DU3
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5WSG
| Cryo-EM structure of the Catalytic Step II spliceosome (C* complex) at 4.0 angstrom resolution | Descriptor: | 3'-exon-intron, 3'-intron-lariat, 5'-exon, ... | Authors: | Yan, C, Wan, R, Bai, R, Huang, G, Shi, Y. | Deposit date: | 2016-12-07 | Release date: | 2017-01-25 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structure of a yeast step II catalytically activated spliceosome Science, 355, 2017
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3NMQ
| Hsp90b N-terminal domain in complex with EC44, a pyrrolo-pyrimidine methoxypyridine inhibitor | Descriptor: | 5-{2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-methylpent-4-yn-2 -ol, Heat shock protein HSP 90-beta | Authors: | Arndt, J.W, Yun, T.J, Harning, E.K, Giza, K, Rabah, D, Li, P, Luchetti, D, Shi, J, Manning, A, Kehry, M.R. | Deposit date: | 2010-06-22 | Release date: | 2010-12-22 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | EC144, a Synthetic Inhibitor of Heat Shock Protein 90, Blocks Innate and Adaptive Immune Responses in Models of Inflammation and Autoimmunity. J.Immunol., 186, 2011
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5X1W
| PKM2 in complex with compound 5 | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 4-[2,3-bis(chloranyl)phenyl]carbonyl-N-[2-[[4-[2,3-bis(chloranyl)phenyl]carbonyl-1-methyl-pyrrol-2-yl]carbonylamino]ethyl]-1-methyl-pyrrole-2-carboxamide, Pyruvate kinase PKM | Authors: | Matsui, Y, Hanzawa, H. | Deposit date: | 2017-01-27 | Release date: | 2017-05-31 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Discovery and structure-guided fragment-linking of 4-(2,3-dichlorobenzoyl)-1-methyl-pyrrole-2-carboxamide as a pyruvate kinase M2 activator Bioorg. Med. Chem., 25, 2017
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5EXL
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7LGM
| Cyanophycin synthetase from A. baylyi DSM587 with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cyanophycin synthase | Authors: | Sharon, I, Haque, A.S, Lahiri, I, Leschziner, A, Schmeing, T.M. | Deposit date: | 2021-01-20 | Release date: | 2021-08-18 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Structures and function of the amino acid polymerase cyanophycin synthetase. Nat.Chem.Biol., 17, 2021
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7LG5
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7LGN
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7LGQ
| Cyanophycin synthetase 1 from Synechocystis sp. UTEX2470 with ATP and 8x(Asp-Arg)-Asn | Descriptor: | 8x(Asp-Arg)-Asn, ADENOSINE-5'-TRIPHOSPHATE, Cyanophycin synthase, ... | Authors: | Sharon, I, Grogg, M, Hilvert, D, Schmeing, T.M. | Deposit date: | 2021-01-20 | Release date: | 2021-08-18 | Last modified: | 2021-10-06 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structures and function of the amino acid polymerase cyanophycin synthetase. Nat.Chem.Biol., 17, 2021
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7LGJ
| Cyanophycin synthetase 1 from Synechocystis sp. UTEX2470 with ADPCP and 8x(Asp-Arg)-NH2 | Descriptor: | 8x(Asp-Arg)-NH2, Cyanophycin synthase, MAGNESIUM ION, ... | Authors: | Sharon, I, Grogg, M, Hilvert, D, Schmeing, T.M. | Deposit date: | 2021-01-20 | Release date: | 2021-08-18 | Last modified: | 2021-10-06 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Structures and function of the amino acid polymerase cyanophycin synthetase. Nat.Chem.Biol., 17, 2021
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4QL8
| Crystal structure of Androgen Receptor in complex with the ligand | Descriptor: | 2-chloro-4-[(3S,3aS,4S)-4-hydroxy-3-methoxy-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazol-2-yl]-3-methylbenzonitrile, Androgen receptor | Authors: | Krishnamurthy, N, Sangeetha, R, Ghadiyaram, C, Sasmal, S, Subramanya, H.S. | Deposit date: | 2014-06-11 | Release date: | 2015-06-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | 3-alkoxy-pyrrolo[1,2-b]pyrazolines as selective androgen receptor modulators with ideal physicochemical properties for transdermal administration J.Med.Chem., 57, 2014
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2W08
| The structure of serum amyloid P component bound to 0-phospho- threonine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, PHOSPHOTHREONINE, ... | Authors: | Kolstoe, S.E, Pepys, M.B, Wood, S.P. | Deposit date: | 2008-08-12 | Release date: | 2009-04-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Molecular Dissection of Alzheimer'S Disease Neuropathology by Depletion of Serum Amyloid P Component. Proc.Natl.Acad.Sci.USA, 106, 2009
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7QAT
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7QAW
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7QAX
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7QAU
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7QAQ
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7QB8
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3GWX
| MOLECULAR RECOGNITION OF FATTY ACIDS BY PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS | Descriptor: | 5,8,11,14,17-EICOSAPENTAENOIC ACID, PROTEIN (PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR (PPAR-DELTA)) | Authors: | Xu, H.E, Lambert, M.H, Montana, V.G, Parks, D.J, Blanchard, S.G, Brown, P.J, Sternbach, D.D, Lehmann, J.M, Wisely, G.B, Willson, T.M, Kliewer, S.A, Milburn, M.V. | Deposit date: | 1999-04-26 | Release date: | 2000-04-26 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular recognition of fatty acids by peroxisome proliferator-activated receptors. Mol.Cell, 3, 1999
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5EXM
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7QAY
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5IW8
| Mycobacterium tuberculosis CysM in complex with the Urea-scaffold inhibitor 4 [5-(3-([1,1'-Biphenyl]-3-yl)ureido)-2-hydroxybenzoic acid] | Descriptor: | 5-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}-2-hydroxybenzoic acid, O-phosphoserine sulfhydrylase, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Brunner, K, Schnell, R, Schneider, G. | Deposit date: | 2016-03-22 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Inhibitors of the Cysteine Synthase CysM with Antibacterial Potency against Dormant Mycobacterium tuberculosis. J.Med.Chem., 59, 2016
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