1HLW
| STRUCTURE OF THE H122A MUTANT OF THE NUCLEOSIDE DIPHOSPHATE KINASE | Descriptor: | NUCLEOSIDE DIPHOSPHATE KINASE | Authors: | Admiraal, S.J, Meyer, P, Schneider, B, Deville-Bonne, D, Janin, J, Herschlag, D. | Deposit date: | 2000-12-04 | Release date: | 2001-02-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Chemical rescue of phosphoryl transfer in a cavity mutant: a cautionary tale for site-directed mutagenesis. Biochemistry, 40, 2001
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8BN8
| METTL3-METTL14 heterodimer bound to the SAM competitive small molecule inhibitor STM3006 | Descriptor: | 2-[[4-(6-bromanyl-2~{H}-indazol-4-yl)-1,2,3-triazol-1-yl]methyl]-6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine, N6-adenosine-methyltransferase catalytic subunit, N6-adenosine-methyltransferase non-catalytic subunit | Authors: | Pilka, E.S, Thomas, B, Blackaby, W, Hardick, D, Feeney, K, Ridgill, M, Rotty, B, Rausch, O. | Deposit date: | 2022-11-13 | Release date: | 2023-09-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.213 Å) | Cite: | Inhibition of METTL3 Results in a Cell-Intrinsic Interferon Response That Enhances Antitumor Immunity. Cancer Discov, 13, 2023
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8BO4
| COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR 1 | Descriptor: | 4-(aminomethyl)-~{N}-[(2~{S})-1-oxidanylidene-3-phenyl-1-[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]amino]propan-2-yl]cyclohexane-1-carboxamide, Coagulation factor XIa light chain, GLYCEROL | Authors: | Schaefer, M, Roehrig, S, Ackerstaff, J, Nunez, E.J, Gericke, K.M, Meier, K, Tersteegen, A, Stampfuss, J, Ellerbrock, P, Meibom, M, Lang, D, Heitmeier, S, Hillisch, A. | Deposit date: | 2022-11-14 | Release date: | 2023-09-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders. J.Med.Chem., 66, 2023
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7AFW
| Beta-Catenin in complex with compound 6 | Descriptor: | 3-[(2~{R})-4-methyl-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-2-yl]benzenecarbonitrile, Catenin beta-1 | Authors: | Boettcher, J, Kessler, D. | Deposit date: | 2020-09-21 | Release date: | 2020-12-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.814 Å) | Cite: | Getting a Grip on the Undrugged: Targeting beta-Catenin with Fragment-Based Methods. Chemmedchem, 16, 2021
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1WKD
| TRNA-GUANINE TRANSGLYCOSYLASE | Descriptor: | TRNA-GUANINE TRANSGLYCOSYLASE, ZINC ION | Authors: | Romier, C, Reuter, K, Suck, D, Ficner, R. | Deposit date: | 1996-08-06 | Release date: | 1997-07-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Mutagenesis and crystallographic studies of Zymomonas mobilis tRNA-guanine transglycosylase reveal aspartate 102 as the active site nucleophile. Biochemistry, 35, 1996
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1WKF
| TRNA-GUANINE TRANSGLYCOSYLASE | Descriptor: | TRNA-GUANINE TRANSGLYCOSYLASE, ZINC ION | Authors: | Romier, C, Reuter, K, Suck, D, Ficner, R. | Deposit date: | 1996-08-06 | Release date: | 1997-07-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Mutagenesis and crystallographic studies of Zymomonas mobilis tRNA-guanine transglycosylase reveal aspartate 102 as the active site nucleophile. Biochemistry, 35, 1996
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7N8I
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1WKE
| TRNA-GUANINE TRANSGLYCOSYLASE | Descriptor: | TRNA-GUANINE TRANSGLYCOSYLASE, ZINC ION | Authors: | Romier, C, Reuter, K, Suck, D, Ficner, R. | Deposit date: | 1996-08-06 | Release date: | 1997-07-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Mutagenesis and crystallographic studies of Zymomonas mobilis tRNA-guanine transglycosylase reveal aspartate 102 as the active site nucleophile. Biochemistry, 35, 1996
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7N8H
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1GJC
| ENGINEERING INHIBITORS HIGHLY SELECTIVE FOR THE S1 SITES OF SER190 TRYPSIN-LIKE SERINE PROTEASE DRUG TARGETS | Descriptor: | 2-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, CITRIC ACID, UROKINASE-TYPE PLASMINOGEN ACTIVATOR | Authors: | Katz, B.A, Sprengeler, P.A, Luong, C, Verner, E, Spencer, J.R, Breitenbucher, J.G, Hui, H, McGee, D, Allen, D, Martelli, A, Mackman, R.L. | Deposit date: | 2001-04-27 | Release date: | 2002-04-27 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Engineering inhibitors highly selective for the S1 sites of Ser190 trypsin-like serine protease drug targets. Chem.Biol., 8, 2001
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8B30
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6J2E
| Crystal structure of bat (Pteropus Alecto) MHC class I Ptal-N*01:01 in complex with Ebola virus-derived peptide EBOV-NP1 | Descriptor: | Beta-2-microglobulin, EBOV-NP1, MHC class I antigen | Authors: | Lu, D, Liu, K.F, Yue, C, Lu, Q, Cheng, H, Chai, Y, Qi, J.X, Gao, G.F, Liu, W.J. | Deposit date: | 2019-01-01 | Release date: | 2019-09-18 | Last modified: | 2019-12-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Peptide presentation by bat MHC class I provides new insight into the antiviral immunity of bats. Plos Biol., 17, 2019
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7APM
| tRNA-guanine transglycosylase H319C mutant spin-labeled with MTSL. | Descriptor: | CHLORIDE ION, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | Authors: | Nguyen, D, Heine, A, Klebe, G. | Deposit date: | 2020-10-18 | Release date: | 2020-10-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Unraveling a Ligand-Induced Twist of a Homodimeric Enzyme by Pulsed Electron-Electron Double Resonance. Angew.Chem.Int.Ed.Engl., 60, 2021
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8CRO
| Cryo-EM structure of Pyrococcus furiosus transcription elongation complex | Descriptor: | DNA Non-Template Strand, DNA Template Strand, DNA-directed RNA polymerase subunit Rpo10, ... | Authors: | Tarau, D.M, Grunberger, F, Reichelt, R, Heiss, F.B, Pilsl, M, Hausner, W, Engel, C, Grohmann, D. | Deposit date: | 2023-03-08 | Release date: | 2024-04-17 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis of archaeal RNA polymerase transcription elongation and Spt4/5 recruitment. Nucleic Acids Res., 52, 2024
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8CHW
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8CHT
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1GJ4
| SELECTIVITY AT S1, H2O DISPLACEMENT, UPA, TPA, SER190/ALA190 PROTEASE, STRUCTURE-BASED DRUG DESIGN | Descriptor: | 6-CHLORO-2-(2-HYDROXY-BIPHENYL-3-YL)-1H-INDOLE-5-CARBOXAMIDINE, ACETYL HIRUDIN, SODIUM ION, ... | Authors: | Katz, B.A, Sprengeler, P.A, Luong, C, Verner, E, Spencer, J.R, Breitenbucher, J.G, Hui, H, McGee, D, Allen, D, Martelli, A, Mackman, R.L. | Deposit date: | 2001-04-27 | Release date: | 2002-04-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Engineering inhibitors highly selective for the S1 sites of Ser190 trypsin-like serine protease drug targets. Chem.Biol., 8, 2001
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8CHV
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7S1H
| Wild-type Escherichia coli ribosome with antibiotic linezolid | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Young, I.D, Stojkovic, V, Tsai, K, Lee, D.J, Fraser, J.S, Galonic Fujimori, D. | Deposit date: | 2021-09-02 | Release date: | 2021-11-17 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.35 Å) | Cite: | Structural basis for context-specific inhibition of translation by oxazolidinone antibiotics. Nat.Struct.Mol.Biol., 29, 2022
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6FR2
| Soluble epoxide hydrolase in complex with LK864 | Descriptor: | 1-[(4~{S})-9-propan-2-ylsulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-[[4-(trifluoromethyloxy)phenyl]methyl]urea, Bifunctional epoxide hydrolase 2, MAGNESIUM ION | Authors: | Kramer, J.S, Pogoryelov, D, Krasavin, M, Proschak, E. | Deposit date: | 2018-02-15 | Release date: | 2018-09-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.262 Å) | Cite: | Discovery of polar spirocyclic orally bioavailable urea inhibitors of soluble epoxide hydrolase. Bioorg. Chem., 80, 2018
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8CJ9
| Crystal structure of maize CKO/CKX8 in complex with urea-derived inhibitor 2-[(3,5-dichlorophenyl)carbamoylamino]benzamide | Descriptor: | 1,2-ETHANEDIOL, 2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]benzamide, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Kopecny, D, Briozzo, P, Morera, S. | Deposit date: | 2023-02-12 | Release date: | 2024-02-21 | Last modified: | 2024-09-04 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Cytokinin oxidase/dehydrogenase inhibitors: progress towards agricultural practice. J.Exp.Bot., 75, 2024
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7S1G
| wild-type Escherichia coli stalled ribosome with antibiotic linezolid | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Young, I.D, Stojkovic, V, Tsai, K, Lee, D.J, Fraser, J.S, Galonic Fujimori, D. | Deposit date: | 2021-09-02 | Release date: | 2021-11-17 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.48 Å) | Cite: | Structural basis for context-specific inhibition of translation by oxazolidinone antibiotics. Nat.Struct.Mol.Biol., 29, 2022
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8CHU
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8CHF
| cryo-EM Structure of Craf:14-3-3:Mek1 | Descriptor: | 14-3-3 protein zeta isoform X1, 2-{4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-3-(pyridin-4-yl)-1H-pyrazol-1-yl}ethanol, Dual specificity mitogen-activated protein kinase kinase 1, ... | Authors: | Dedden, D, Ulrich, G. | Deposit date: | 2023-02-07 | Release date: | 2024-02-21 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (4.25 Å) | Cite: | Cryo-EM Structures of CRAF 2 /14-3-3 2 and CRAF 2 /14-3-3 2 /MEK1 2 Complexes. J.Mol.Biol., 436, 2024
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5V3P
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