3K5K
| Discovery of a 2,4-Diamino-7-aminoalkoxy-quinazoline as a Potent Inhibitor of Histone Lysine Methyltransferase, G9a | Descriptor: | 7-[3-(dimethylamino)propoxy]-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine, CHLORIDE ION, Histone-lysine N-methyltransferase, ... | Authors: | Dong, A, Wasney, G.A, Liu, F, Chen, X, Allali-Hassani, A, Senisterra, G, Chau, I, Bountra, C, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Frye, S.V, Bochkarev, A, Brown, P.J, Jin, J, Vedadi, M, Structural Genomics Consortium (SGC) | Deposit date: | 2009-10-07 | Release date: | 2009-11-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of a 2,4-diamino-7-aminoalkoxyquinazoline as a potent and selective inhibitor of histone lysine methyltransferase G9a. J.Med.Chem., 52, 2009
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8SNX
| Cryo-EM structure of the respiratory syncytial virus polymerase (L:P) bound to the leader promoter | Descriptor: | Phosphoprotein, RNA (5'-R(*UP*UP*UP*UP*UP*CP*GP*CP*GP*U)-3'), RNA-directed RNA polymerase L | Authors: | Cao, D, Gao, Y, Chen, Z, Gooneratne, I, Roesler, C, Mera, C, Liang, B. | Deposit date: | 2023-04-28 | Release date: | 2023-12-20 | Last modified: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structures of the promoter-bound respiratory syncytial virus polymerase. Nature, 625, 2024
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8SNY
| Cryo-EM structure of the respiratory syncytial virus polymerase (L:P) bound to the trailer complementary promoter | Descriptor: | Phosphoprotein, RNA (5'-R(*UP*UP*UP*UP*UP*CP*UP*CP*GP*U)-3'), RNA-directed RNA polymerase L | Authors: | Cao, D, Gao, Y, Chen, Z, Gooneratne, I, Roesler, C, Mera, C, Liang, B. | Deposit date: | 2023-04-28 | Release date: | 2023-12-20 | Last modified: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (3.41 Å) | Cite: | Structures of the promoter-bound respiratory syncytial virus polymerase. Nature, 625, 2024
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6Q0D
| CRYSTAL STRUCTURE OF LDHA IN COMPLEX WITH COMPOUND NCGC00384414-01 AT 2.05 A RESOLUTION | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-{3-[3-(cyclopentylethynyl)-4-fluorophenyl]-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, GLYCEROL, ... | Authors: | Dranow, D.M, Davies, D.R. | Deposit date: | 2019-08-01 | Release date: | 2020-09-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Pyrazole-Based Lactate Dehydrogenase Inhibitors with Optimized Cell Activity and Pharmacokinetic Properties. J.Med.Chem., 63, 2020
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8FTW
| FliT-FliJ fusion complex | Descriptor: | Flagellar FliT protein, Flagellar FliJ protein fusion | Authors: | Rossi, P, Kalodimos, C.G. | Deposit date: | 2023-01-13 | Release date: | 2023-07-05 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Chaperone Recycling in Late-Stage Flagellar Assembly. J.Mol.Biol., 435, 2023
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3TTB
| Structure of the Thioalkalivibrio paradoxus cytochrome c nitrite reductase in complex with sulfite | Descriptor: | CALCIUM ION, COBALT (II) ION, Eight-heme nitrite reductase, ... | Authors: | Polyakov, K.M, Trofimov, A.A, Tikhonova, T.V, Tikhonov, A.V, Dorovatovskii, P.V, Popov, V.O. | Deposit date: | 2011-09-14 | Release date: | 2011-10-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Comparative structural and functional analysis of two octaheme nitrite reductases from closely related Thioalkalivibrio species. Febs J., 279, 2012
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7OSL
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6ZHC
| PROTAC6 mediated complex of VHL:EloB:EloC and Bcl-xL | Descriptor: | 1,2-ETHANEDIOL, 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]-5-[3-[4-[3-[2-[2-[2-[2-[2-[3-[[(2~{S})-3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ynyl]phenoxy]propyl]-1,3-thiazole-4-carboxylic acid, Bcl-2-like protein 1, ... | Authors: | Chung, C. | Deposit date: | 2020-06-22 | Release date: | 2020-08-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structural Insights into PROTAC-Mediated Degradation of Bcl-xL. Acs Chem.Biol., 15, 2020
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8GR9
| Crystal structure of peroxisomal citrate synthase (Cit2) from Saccharomyces cerevisiae in complex with oxaloacetate and coenzyme-A | Descriptor: | CHLORIDE ION, COENZYME A, Citrate synthase, ... | Authors: | Nishio, K, Nakatsukasa, K, Kamura, T, Mizushima, T. | Deposit date: | 2022-09-01 | Release date: | 2023-04-26 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Defective import of mitochondrial metabolic enzyme elicits ectopic metabolic stress. Sci Adv, 9, 2023
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8GR8
| Crystal structure of peroxisomal citrate synthase (Cit2) from Saccharomycescerevisiae | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Citrate synthase, ... | Authors: | Nishio, K, Nakatsukasa, K, Kamura, T, Mizushima, T. | Deposit date: | 2022-09-01 | Release date: | 2023-04-26 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Defective import of mitochondrial metabolic enzyme elicits ectopic metabolic stress. Sci Adv, 9, 2023
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8GRE
| F-box protein in complex with skp1(FL) and substrate | Descriptor: | Citrate synthase, E3 ubiquitin ligase complex SCF subunit, F-box protein UCC1, ... | Authors: | Nishio, K, Nakatsukasa, K, Kamura, T, Mizushima, T. | Deposit date: | 2022-09-01 | Release date: | 2023-04-26 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Defective import of mitochondrial metabolic enzyme elicits ectopic metabolic stress. Sci Adv, 9, 2023
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8GQZ
| Crystal structure of mitochondrial citrate synthase (Cit1) from Saccharomyces cerevisiae | Descriptor: | ACETATE ION, CHLORIDE ION, Citrate synthase, ... | Authors: | Nishio, K, Nakatsukasa, K, Kamura, T, Mizushima, T. | Deposit date: | 2022-08-31 | Release date: | 2023-04-26 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Defective import of mitochondrial metabolic enzyme elicits ectopic metabolic stress. Sci Adv, 9, 2023
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8GRF
| Crystal structure of F-box protein in the ternary complex with adaptor protein Skp1(DL) and its substrate | Descriptor: | 1,2-ETHANEDIOL, Citrate synthase, E3 ubiquitin ligase complex SCF subunit, ... | Authors: | Nishio, K, Nakatsukasa, K, Kamura, T, Mizushima, T. | Deposit date: | 2022-09-01 | Release date: | 2023-04-26 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Defective import of mitochondrial metabolic enzyme elicits ectopic metabolic stress. Sci Adv, 9, 2023
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6RLV
| Trypanosoma brucei Seryl-tRNA Synthetase in Complex with 5'-O-(N-(L-seryl)-sulfamoyl)N3-methyluridine | Descriptor: | 5'-O-(N-(L-seryl)-sulfamoyl)N3-methyluridine, GLYCEROL, MALONATE ION, ... | Authors: | Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D. | Deposit date: | 2019-05-02 | Release date: | 2020-01-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases. Acs Chem.Biol., 15, 2020
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1QTR
| CRYSTAL STRUCTURE ANALYSIS OF THE PROLYL AMINOPEPTIDASE FROM SERRATIA MARCESCENS | Descriptor: | PROLYL AMINOPEPTIDASE | Authors: | Yoshimoto, T, Kabashima, T, Uchikawa, K, Inoue, T, Tanaka, N. | Deposit date: | 1999-06-28 | Release date: | 1999-07-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Crystal structure of prolyl aminopeptidase from Serratia marcescens. J.Biochem.(Tokyo), 126, 1999
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5W8J
| Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 29 | Descriptor: | 2-{3-(3,4-difluorophenyl)-5-hydroxy-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Lukacs, C.M, Moulin, A. | Deposit date: | 2017-06-21 | Release date: | 2018-01-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH). J. Med. Chem., 60, 2017
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6RLU
| Trypanosoma brucei Seryl-tRNA Synthetase in Complex with 5'-O-(N-(L-seryl)-sulfamoyl)cytidine | Descriptor: | 5'-O-(N-(L-seryl)-sulfamoyl)cytidine, GLYCEROL, MALONATE ION, ... | Authors: | Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D. | Deposit date: | 2019-05-02 | Release date: | 2020-01-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases. Acs Chem.Biol., 15, 2020
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6RLT
| Trypanosoma brucei Seryl-tRNA Synthetase in Complex with 5'-O-(N-(L-seryl)-Sulfamoyl)uridine | Descriptor: | 5'-O-(N-(L-seryl)-Sulfamoyl)uridine, GLYCEROL, MALONATE ION, ... | Authors: | Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D. | Deposit date: | 2019-05-02 | Release date: | 2020-01-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases. Acs Chem.Biol., 15, 2020
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8FTX
| FlgN-FliJ fusion complex | Descriptor: | Flagella biosynthesis chaperone FlgN, Flagellar FliJ protein fusion | Authors: | Rossi, P, Kalodimos, C.G. | Deposit date: | 2023-01-13 | Release date: | 2023-07-05 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Chaperone Recycling in Late-Stage Flagellar Assembly. J.Mol.Biol., 435, 2023
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6Q13
| CRYSTAL STRUCTURE OF LDHA IN COMPLEX WITH COMPOUND NCGC00420737-09 AT 2.00 A RESOLUTION | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-[5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-3-{3-[(5-methylthiophen-2-yl)ethynyl]phenyl}-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid, ... | Authors: | Davies, D.R, Dranow, D.M. | Deposit date: | 2019-08-02 | Release date: | 2020-09-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Pyrazole-Based Lactate Dehydrogenase Inhibitors with Optimized Cell Activity and Pharmacokinetic Properties. J.Med.Chem., 63, 2020
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3SXQ
| Structure of a hexameric multiheme c nitrite reductase from the extremophile bacterium Thiolkalivibrio paradoxus | Descriptor: | CALCIUM ION, CHLORIDE ION, COBALT (II) ION, ... | Authors: | Polyakov, K.M, Trofimov, A.A, Tikhonova, T.V, Tikhonov, A.V, Boyko, K.M, Popov, V.O. | Deposit date: | 2011-07-15 | Release date: | 2012-09-26 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Comparative structural and functional analysis of two octaheme nitrite reductases from closely related Thioalkalivibrio species. Febs J., 279, 2012
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1V2F
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6S30
| Crystal Structure of Seryl-tRNA Synthetase from Klebsiella pneumoniae | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Serine--tRNA ligase | Authors: | Pang, L, De Graef, S, Weeks, S.D, Strelkov, S.V. | Deposit date: | 2019-06-23 | Release date: | 2020-01-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases. Acs Chem.Biol., 15, 2020
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1V2E
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1V2D
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