8TG5
 
 | | tRNA 2'-phosphotransferase (Tpt1) from Pyrococcus horikoshii in complex with branched 2'-PO4 RNA | | Descriptor: | (2S,3R,4R,5S)-2-(6-amino-9H-purin-9-yl)-4-{[(S)-{[(2R,3S,4R,5S)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-5-({[(S)-{[(2R,3R,4S,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}(hydroxy)phosphoryl]oxy}methyl)oxolan-3-yl dihydrogen phosphate (non-preferred name), CHLORIDE ION, POTASSIUM ION, ... | | Authors: | Jacewicz, A, Dantuluri, S, Shuman, S. | | Deposit date: | 2023-07-12 | | Release date: | 2024-06-05 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for Tpt1-catalyzed 2'-PO 4 transfer from RNA and NADP(H) to NAD.
Proc.Natl.Acad.Sci.USA, 120, 2023
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3ZZM
 | | Crystal structure of Mycobacterium tuberculosis PurH with a novel bound nucleotide CFAIR, at 2.2 A resolution. | | Descriptor: | 5-(FORMYLAMINO)-1-(5-O-PHOSPHONO-BETA-D-RIBOFURANOSYL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID, BIFUNCTIONAL PURINE BIOSYNTHESIS PROTEIN PURH, GLYCEROL, ... | | Authors: | Le Nours, J, Bulloch, E.M.M, Zhang, Z, Greenwood, D.R, Middleditch, M.J, Dickson, J.M.J, Baker, E.N. | | Deposit date: | 2011-09-02 | | Release date: | 2011-09-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Analyses of a Purine Biosynthetic Enzyme from Mycobacterium Tuberculosis Reveal a Novel Bound Nucleotide.
J.Biol.Chem., 286, 2011
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5TGT
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6NX8
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6NX7
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4BB4
 | | ephB4 kinase domain inhibitor complex | | Descriptor: | EPHRIN TYPE-B RECEPTOR 4, MAGNESIUM ION, N-(2-methoxyethyl)-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide | | Authors: | Read, J, Brassington, C.A, Green, I, McCall, E.J, Valentine, A.L. | | Deposit date: | 2012-09-19 | | Release date: | 2013-02-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Discovery and Optimization of a Novel Series of Potent Mutant B-Raf V600E Selective Kinase Inhibitors.
J.Med.Chem., 56, 2013
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6NXB
 | | ECAII IN COMPLEX WITH CITRATE AT PH 7 | | Descriptor: | CITRIC ACID, GLYCEROL, L-asparaginase 2 | | Authors: | Lubkowski, J, Wlodawer, A. | | Deposit date: | 2019-02-08 | | Release date: | 2019-08-07 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Opportunistic complexes of E. coli L-asparaginases with citrate anions.
Sci Rep, 9, 2019
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5FFG
 | | Crystal structure of integrin alpha V beta 6 head | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Dong, X, Springer, T.A. | | Deposit date: | 2015-12-18 | | Release date: | 2017-01-25 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Force interacts with macromolecular structure in activation of TGF-beta.
Nature, 542, 2017
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9G5G
 | | Glycoside Hydrolase Family 157 from Labilibaculum antarcticum (LaGH157) in complex with Laminaribiose | | Descriptor: | GLYCEROL, Glycoside hydrolase family 2 catalytic domain-containing protein, MALONIC ACID, ... | | Authors: | Caseiro, C, Alves, V.D, Carvalho, A.L, Bule, P. | | Deposit date: | 2024-07-16 | | Release date: | 2025-05-21 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Family GH157 enzyme exhibits broad linkage tolerance and a dual endo/exo-beta-glucanase activity on beta-glucans.
Int.J.Biol.Macromol., 282, 2024
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6NX6
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1SVH
 | | Crystal Structure of Protein Kinase A in Complex with Azepane Derivative 8 | | Descriptor: | (3R,4S)-N-(4-{TRANS-2-[4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-PHENYL]-VINYL}-AZEPAN-3-YL)-ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ... | | Authors: | Breitenlechner, C.B, Wegge, T, Berillon, L, Graul, K, Marzenell, K, Friebe, W.G, Thomas, U, Schumacher, R, Huber, R, Engh, R.A, Masjost, B. | | Deposit date: | 2004-03-29 | | Release date: | 2005-03-29 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-based optimization of novel azepane derivatives as PKB inhibitors
J.Med.Chem., 47, 2004
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3ZZI
 | | Crystal structure of a tetrameric acetylglutamate kinase from Saccharomyces cerevisiae | | Descriptor: | ACETYLGLUTAMATE KINASE | | Authors: | de Cima, S, Gil-Ortiz, F, Crabeel, M, Fita, I, Rubio, V. | | Deposit date: | 2011-09-01 | | Release date: | 2012-05-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Insight on an Arginine Synthesis Metabolon from the Tetrameric Structure of Yeast Acetylglutamate Kinase
Plos One, 7, 2012
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3ZZF
 | | Crystal structure of the amino acid kinase domain from Saccharomyces cerevisiae acetylglutamate kinase complexed with its substrate N- acetylglutamate | | Descriptor: | 1,2-ETHANEDIOL, ACETYLGLUTAMATE KINASE, CHLORIDE ION, ... | | Authors: | de Cima, S, Gil-Ortiz, F, Crabeel, M, Fita, I, Rubio, V. | | Deposit date: | 2011-09-01 | | Release date: | 2012-05-02 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Insight on an Arginine Synthesis Metabolon from the Tetrameric Structure of Yeast Acetylglutamate Kinase
Plos One, 7, 2012
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1AJG
 | | CARBONMONOXY MYOGLOBIN AT 40 K | | Descriptor: | CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Teng, T.Y, Srajer, V, Moffat, K. | | Deposit date: | 1997-05-02 | | Release date: | 1997-11-12 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Photolysis-induced structural changes in single crystals of carbonmonoxy myoglobin at 40 K.
Nat.Struct.Biol., 1, 1994
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6OBD
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8QM9
 | | Potential drug binding sites for translation initiation factor eIF4E | | Descriptor: | (2~{R})-2-[(1~{S})-1-[4-(2-fluorophenyl)-2-(2-hydroxyethylamino)phenyl]propoxy]propan-1-ol, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Cleasby, A. | | Deposit date: | 2023-09-21 | | Release date: | 2025-01-15 | | Last modified: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (1.973 Å) | | Cite: | Integrating fragment-based screening with targeted protein degradation and genetic rescue to explore eIF4E function.
Nat Commun, 15, 2024
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8QM6
 | | Potential drug binding sites for translation initiation factor eIF4E | | Descriptor: | (1~{R})-1-[4-(2-fluorophenyl)phenyl]ethanol, (1~{S})-1-[4-(2-fluorophenyl)phenyl]ethanol, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Cleasby, A. | | Deposit date: | 2023-09-21 | | Release date: | 2025-01-15 | | Last modified: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Integrating fragment-based screening with targeted protein degradation and genetic rescue to explore eIF4E function.
Nat Commun, 15, 2024
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8QM7
 | | Potential drug binding sites for translation initiation factor eIF4E | | Descriptor: | (2~{R})-2-[(1~{R})-1-[4-(2-fluorophenyl)-2-(2-hydroxyethylamino)phenyl]propoxy]propan-1-ol, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | Cleasby, A. | | Deposit date: | 2023-09-21 | | Release date: | 2025-01-15 | | Last modified: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (2.191 Å) | | Cite: | Integrating fragment-based screening with targeted protein degradation and genetic rescue to explore eIF4E function.
Nat Commun, 15, 2024
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8QM8
 | | Potential drug binding sites for translation initiation factor eIF4E | | Descriptor: | (2~{R})-2-[(1~{S})-1-[4-(2-fluorophenyl)-2-(2-hydroxyethylamino)phenyl]propoxy]propan-1-ol, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | Cleasby, A. | | Deposit date: | 2023-09-21 | | Release date: | 2025-01-15 | | Last modified: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (1.585 Å) | | Cite: | Integrating fragment-based screening with targeted protein degradation and genetic rescue to explore eIF4E function.
Nat Commun, 15, 2024
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3G1M
 | | EthR from Mycobacterium tuberculosis in complex with compound BDM31381 | | Descriptor: | 1-(thiophen-2-ylacetyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine, TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN (TETR-FAMILY) ETHR | | Authors: | Willand, N, Dirie, B, Carette, X, Bifani, P, Singhal, A, Desroses, M, Leroux, F, Willery, E, Mathys, V, Deprez-Poulain, R, Delcroix, G, Frenois, F, Aumercier, M, Locht, C, Villeret, V, Deprez, B, Baulard, A.R. | | Deposit date: | 2009-01-30 | | Release date: | 2009-07-21 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Synthetic EthR inhibitors boost antituberculous activity of ethionamide.
Nat.Med. (N.Y.), 15, 2009
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8QQM
 | | nicotinic acetylcholine receptor in intact synaptic membrane | | Descriptor: | Acetylcholine receptor subunit alpha, Acetylcholine receptor subunit beta, Acetylcholine receptor subunit delta, ... | | Authors: | Unwin, N. | | Deposit date: | 2023-10-05 | | Release date: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (4.7 Å) | | Cite: | Influence of lipid bilayer on the structure of the muscle-type nicotinic acetylcholine receptor.
Proc.Natl.Acad.Sci.USA, 121, 2024
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7MYF
 | | Ubiquitin variant UbV.k.1 in complex with Ube2k | | Descriptor: | Ubiquitin, Ubiquitin variant UbV.k.1, Ubiquitin-conjugating enzyme E2 K | | Authors: | Middleton, A.J, Day, C.L, Teyra, J, Sidhu, S.S. | | Deposit date: | 2021-05-21 | | Release date: | 2021-08-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Identification of Ubiquitin Variants That Inhibit the E2 Ubiquitin Conjugating Enzyme, Ube2k.
Acs Chem.Biol., 16, 2021
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7MYH
 | | Ubiquitin variant UbV.k.2 in complex with Ube2k | | Descriptor: | GLYCEROL, Ubiquitin variant UbV.k.2, Ubiquitin-conjugating enzyme E2 K | | Authors: | Middleton, A.J, Day, C.L, Teyra, J, Sidhu, S.S. | | Deposit date: | 2021-05-21 | | Release date: | 2021-08-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.394 Å) | | Cite: | Identification of Ubiquitin Variants That Inhibit the E2 Ubiquitin Conjugating Enzyme, Ube2k.
Acs Chem.Biol., 16, 2021
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6H29
 | | HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH BENZYL CARBAMATE | | Descriptor: | (phenylmethyl) carbamate, Carbonic anhydrase 2, ZINC ION | | Authors: | Alterio, V, De Simone, G. | | Deposit date: | 2018-07-13 | | Release date: | 2018-09-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Inhibition of carbonic anhydrases by a substrate analog: benzyl carbamate directly coordinates the catalytic zinc ion mimicking bicarbonate binding.
Chem. Commun. (Camb.), 54, 2018
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6OGH
 | | Structure of Aedes aegypti OBP22 in the complex with linoleic acid | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AAEL005772-PA, CADMIUM ION, ... | | Authors: | Jones, D.N, Wang, J. | | Deposit date: | 2019-04-02 | | Release date: | 2019-04-24 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Aedes aegypti Odorant Binding Protein 22 selectively binds fatty acids through a conformational change in its C-terminal tail.
Sci Rep, 10, 2020
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