4QAG
| Structure of a dihydroxycoumarin active-site inhibitor in complex with the RNASE H domain of HIV-1 reverse transcriptase | Descriptor: | (7,8-dihydroxy-2-oxo-2H-chromen-4-yl)acetic acid, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H | Authors: | Himmel, D.M, Ho, W.C, Arnold, E. | Deposit date: | 2014-05-04 | Release date: | 2014-06-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.712 Å) | Cite: | Structure of a Dihydroxycoumarin Active-Site Inhibitor in Complex with the RNase H Domain of HIV-1 Reverse Transcriptase and Structure-Activity Analysis of Inhibitor Analogs. J.Mol.Biol., 426, 2014
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1N77
| Crystal structure of Thermus thermophilus glutamyl-tRNA synthetase complexed with tRNA(Glu) and ATP. | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Glutamyl-tRNA synthetase, MAGNESIUM ION, ... | Authors: | Sekine, S, Nureki, O, Dubois, D.Y, Bernier, S, Chenevert, R, Lapointe, J, Vassylyev, D.G, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2002-11-13 | Release date: | 2003-02-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | ATP binding by glutamyl-tRNA synthetase is switched to the productive mode by tRNA binding EMBO J., 22, 2003
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1N75
| Crystal structure of Thermus thermophilus glutamyl-tRNA synthetase complexed with ATP. | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Glutamyl-tRNA synthetase, MAGNESIUM ION | Authors: | Sekine, S, Nureki, O, Dubois, D.Y, Bernier, S, Chenevert, R, Lapointe, J, Vassylyev, D.G, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2002-11-12 | Release date: | 2003-02-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | ATP binding by glutamyl-tRNA synthetase is switched to the productive mode by tRNA binding EMBO J., 22, 2003
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6HGY
| CRYSTAL STRUCTURE OF CATHEPSIN K WITH N-DESMETHYL THALASSOSPIRAMIDE C | Descriptor: | Cathepsin K, THALASSOSPIRAMIDE C | Authors: | Zakarian, A, Buckman, B.O, Adler, M, Griessner, A, Blaesse, M. | Deposit date: | 2018-08-23 | Release date: | 2019-06-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Total Synthesis of Covalent Cysteine Protease Inhibitor N-Desmethyl Thalassospiramide C and Crystallographic Evidence for Its Mode of Action. Org.Lett., 21, 2019
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1N78
| Crystal structure of Thermus thermophilus glutamyl-tRNA synthetase complexed with tRNA(Glu) and glutamol-AMP. | Descriptor: | GLUTAMOL-AMP, Glutamyl-tRNA synthetase, MAGNESIUM ION, ... | Authors: | Sekine, S, Nureki, O, Dubois, D.Y, Bernier, S, Chenevert, R, Lapointe, J, Vassylyev, D.G, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2002-11-13 | Release date: | 2003-02-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | ATP binding by glutamyl-tRNA synthetase is switched to the productive mode by tRNA binding EMBO J., 22, 2003
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3A2F
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7DVY
| SARS-CoV-2 Mpro mutant (H41A) in complex with nsp9|10 peptidyl substrate | Descriptor: | 3C-like proteinase, nsp9/10 peptidyl substrate | Authors: | Liu, X, Zhao, Y, Yang, H, Rao, Z. | Deposit date: | 2021-01-15 | Release date: | 2022-01-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 119, 2022
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7DVX
| SARS-CoV-2 Mpro mutant (H41A) in complex with nsp6|7 peptidyl substrate | Descriptor: | 3C-like proteinase, nsp6/7 peptidyl substrate | Authors: | Liu, X, Zhao, Y, Yang, H, Rao, Z. | Deposit date: | 2021-01-15 | Release date: | 2022-01-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 119, 2022
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7DVW
| SARS-CoV-2 Mpro mutant (H41A) in complex with nsp5|6 peptidyl substrate | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, nsp5/6 peptidyl substrate | Authors: | Liu, X, Zhao, Y, Yang, H, Rao, Z. | Deposit date: | 2021-01-15 | Release date: | 2022-01-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 119, 2022
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7E5X
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7DVP
| SARS-CoV-2 Mpro mutant (H41A) in complex with nsp4|5 peptidyl substrate | Descriptor: | 3C-like proteinase, nsp4/5 peptidyl substrate | Authors: | Liu, X, Zhao, Y, Yang, H, Rao, Z. | Deposit date: | 2021-01-14 | Release date: | 2022-01-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 119, 2022
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7DW0
| SARS-CoV-2 Mpro mutant (H41A) in complex with nsp14|15 peptidyl substrate | Descriptor: | 3C-like proteinase, nsp14/15 peptidyl substrate | Authors: | Liu, X, Zhao, Y, Yang, H, Rao, Z. | Deposit date: | 2021-01-15 | Release date: | 2022-01-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 119, 2022
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7DW6
| SARS-CoV-2 Mpro mutant (H41A) in complex with nsp15|16 peptidyl substrate | Descriptor: | 3C-like proteinase, nsp15/16 peptidyl substrate | Authors: | Liu, X, Zhao, Y, Yang, H, Rao, Z. | Deposit date: | 2021-01-15 | Release date: | 2022-01-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 119, 2022
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4RBW
| Crystal structure of human alpha-defensin 5, HD5 (Thr7Arg Glu21Arg mutant) | Descriptor: | CHLORIDE ION, Defensin-5, SULFATE ION | Authors: | Pazgier, M, Gohain, N, Tolbert, W.D. | Deposit date: | 2014-09-13 | Release date: | 2015-07-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Design of a potent antibiotic peptide based on the active region of human defensin 5. J.Med.Chem., 58, 2015
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4F1S
| Crystal structure of human PI3K-gamma in complex with a pyridyl-triazine-sulfonamide inhibitor | Descriptor: | N-(5-{[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-(tetrahydro-2H-pyran-4-yl)pyridin-2-yl]amino}-2-chloropyridin-3-yl)methanesulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | Deposit date: | 2012-05-07 | Release date: | 2012-08-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Synthesis and structure-activity relationships of dual PI3K/mTOR inhibitors based on a 4-amino-6-methyl-1,3,5-triazine sulfonamide scaffold. Bioorg.Med.Chem.Lett., 22, 2012
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4ZLP
| Crystal Structure of Notch3 Negative Regulatory Region | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ... | Authors: | Xu, X, Blacklow, S.C. | Deposit date: | 2015-05-01 | Release date: | 2015-08-19 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.479 Å) | Cite: | Insights into Autoregulation of Notch3 from Structural and Functional Studies of Its Negative Regulatory Region. Structure, 23, 2015
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4FLH
| Crystal structure of human PI3K-gamma in complex with AMG511 | Descriptor: | 4-(2-[(5-fluoro-6-methoxypyridin-3-yl)amino]-5-{(1R)-1-[4-(methylsulfonyl)piperazin-1-yl]ethyl}pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | Deposit date: | 2012-06-14 | Release date: | 2012-08-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Selective Class I Phosphoinositide 3-Kinase Inhibitors: Optimization of a Series of Pyridyltriazines Leading to the Identification of a Clinical Candidate, AMG 511. J.Med.Chem., 55, 2012
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8W1N
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6K3H
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5FD2
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5UWD
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1J09
| Crystal structure of Thermus thermophilus glutamyl-tRNA synthetase complexed with ATP and Glu | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GLUTAMIC ACID, Glutamyl-tRNA synthetase, ... | Authors: | Sekine, S, Nureki, O, Dubois, D.Y, Bernier, S, Chenevert, R, Lapointe, J, Vassylyev, D.G, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2002-11-12 | Release date: | 2003-02-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | ATP binding by glutamyl-tRNA synthetase is switched to the productive mode by tRNA binding EMBO J., 22, 2003
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7VAH
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7VH8
| Crystal structure of SARS-CoV-2 main protease in complex with protease inhibitor PF-07321332 | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE | Authors: | Zhao, Y, Zhang, Q, Yang, H, Rao, Z. | Deposit date: | 2021-09-21 | Release date: | 2021-11-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Crystal structure of SARS-CoV-2 main protease in complex with protease inhibitor PF-07321332. Protein Cell, 13, 2022
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1P8Z
| Complex Between Rabbit Muscle alpha-Actin: Human Gelsolin Residues Val26-Glu156 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Irobi, E, Burtnick, L.D, Robinson, R.C. | Deposit date: | 2003-05-08 | Release date: | 2003-10-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | From the First to the second domain of gelsolin: A common path on the surface of actin? FEBS lett., 552, 2003
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