5IE5
| Crystal structure of a lactonase double mutant in complex with substrate a | Descriptor: | (3S,7R,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, Zearalenone hydrolase | Authors: | Zheng, Y.Y, Xu, Z.X, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2016-02-25 | Release date: | 2017-01-04 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Enhanced alph-Zearalenol Hydrolyzing Activity of a Mycoestrogen-Detoxifying Lactonase by Structure-Based Engineering Acs Catalysis, 6, 2016
|
|
5IE4
| Crystal structure of a lactonase mutant in complex with substrate a | Descriptor: | (3S,7R,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, Zearalenone hydrolase | Authors: | Zheng, Y.Y, Xu, Z.X, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2016-02-25 | Release date: | 2017-01-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Enhanced alph-Zearalenol Hydrolyzing Activity of a Mycoestrogen-Detoxifying Lactonase by Structure-Based Engineering Acs Catalysis, 6, 2016
|
|
4IT7
| Crystal structure of Al-CPI | Descriptor: | CPI | Authors: | Mei, G.Q, Liu, S.L, Sun, M.Z, Liu, J. | Deposit date: | 2013-01-17 | Release date: | 2014-01-29 | Last modified: | 2014-06-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Basis for the Immunomodulatory Function of Cysteine Protease Inhibitor from Human Roundworm Ascaris lumbricoides. Plos One, 9, 2014
|
|
2H96
| Discovery of Potent, Highly Selective, and Orally Bioavailable Pyridine Carboxamide C-jun NH2-terminal Kinase Inhibitors | Descriptor: | 5-CYANO-N-(2,5-DIMETHOXYBENZYL)-6-ETHOXYPYRIDINE-2-CARBOXAMIDE, C-jun-amino-terminal kinase-interacting protein 1, GLYCEROL, ... | Authors: | Abad-Zapatero, C. | Deposit date: | 2006-06-09 | Release date: | 2006-07-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Discovery of potent, highly selective, and orally bioavailable pyridine carboxamide c-Jun NH2-terminal kinase inhibitors. J.Med.Chem., 49, 2006
|
|
5L33
| Crystal structure of a de novo designed protein with curved beta-sheet | Descriptor: | denovo NTF2 | Authors: | Oberdorfer, G, Marcos, E, Basanta, B, Chidyausiku, T.M, Sankaran, B, Baker, D. | Deposit date: | 2016-08-03 | Release date: | 2017-01-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Principles for designing proteins with cavities formed by curved beta sheets. Science, 355, 2017
|
|
2G01
| Pyrazoloquinolones as Novel, Selective JNK1 inhibitors | Descriptor: | 6-CHLORO-9-HYDROXY-1,3-DIMETHYL-1,9-DIHYDRO-4H-PYRAZOLO[3,4-B]QUINOLIN-4-ONE, C-jun-amino-terminal kinase-interacting protein 1, Mitogen-activated protein kinase 8, ... | Authors: | Abad-Zapatero, C. | Deposit date: | 2006-02-10 | Release date: | 2006-04-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Synthesis and SAR of 1,9-dihydro-9-hydroxypyrazolo[3,4-b]quinolin-4-ones as novel, selective c-Jun N-terminal kinase inhibitors. Bioorg.Med.Chem.Lett., 16, 2006
|
|
4YNE
| (R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors | Descriptor: | 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(pyridin-2-yl)imidazo[1,2-b]pyridazine, GLYCEROL, High affinity nerve growth factor receptor, ... | Authors: | Kreusch, A, Rucker, P, Molteni, V, Loren, J. | Deposit date: | 2015-03-09 | Release date: | 2015-06-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.0229 Å) | Cite: | (R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors. Acs Med.Chem.Lett., 6, 2015
|
|
4YMJ
| (R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors | Descriptor: | 4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile, CHLORIDE ION, GLYCEROL, ... | Authors: | Kreusch, A, Rucker, P, Molteni, V, Loren, J. | Deposit date: | 2015-03-06 | Release date: | 2015-06-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | (R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors. Acs Med.Chem.Lett., 6, 2015
|
|
4YPS
| (R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors | Descriptor: | 4-{6-[(3R)-3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl}benzonitrile, High affinity nerve growth factor receptor, SULFATE ION | Authors: | Kreusch, A, Rucker, P, Molteni, V, Loren, J. | Deposit date: | 2015-03-13 | Release date: | 2015-06-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1012 Å) | Cite: | (R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors. Acs Med.Chem.Lett., 6, 2015
|
|
6J6M
| Co-crystal structure of BTK kinase domain with Zanubrutinib | Descriptor: | (7S)-2-(4-phenoxyphenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, IMIDAZOLE, Tyrosine-protein kinase BTK | Authors: | Zhou, X, Hong, Y. | Deposit date: | 2019-01-15 | Release date: | 2019-10-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J.Med.Chem., 62, 2019
|
|
7JVN
| |
8JJM
| |
7JVM
| |
6IMA
| Crystal Structure of ALKBH1 without alpha-1 (N37-C369) | Descriptor: | CITRIC ACID, Nucleic acid dioxygenase ALKBH1 | Authors: | Zhang, M, Yang, S, Zhao, W, Li, H. | Deposit date: | 2018-10-22 | Release date: | 2020-01-22 | Last modified: | 2020-04-08 | Method: | X-RAY DIFFRACTION (2.593 Å) | Cite: | Mammalian ALKBH1 serves as an N6-mA demethylase of unpairing DNA. Cell Res., 30, 2020
|
|
6IMC
| Crystal Structure of ALKBH1 in complex with Mn(II) and N-Oxalylglycine | Descriptor: | MANGANESE (II) ION, N-OXALYLGLYCINE, Nucleic acid dioxygenase ALKBH1 | Authors: | Zhang, M, Yang, S, Zhao, W, Li, H. | Deposit date: | 2018-10-22 | Release date: | 2020-01-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Mammalian ALKBH1 serves as an N6-mA demethylase of unpairing DNA. Cell Res., 30, 2020
|
|
8G05
| Cryo-EM structure of an orphan GPCR-Gi protein signaling complex | Descriptor: | 6-(octylamino)pyrimidine-2,4(3H,5H)-dione, CHOLESTEROL, G-protein coupled receptor 84, ... | Authors: | Zhang, X, Wang, Y.J, Li, X, Liu, G.B, Gong, W.M, Zhang, C. | Deposit date: | 2023-01-31 | Release date: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Pro-phagocytic function and structural basis of GPR84 signaling. Nat Commun, 14, 2023
|
|
7N82
| NMR Solution structure of Se0862 | Descriptor: | Biofilm-related protein | Authors: | Zhang, N, LiWang, A.L. | Deposit date: | 2021-06-11 | Release date: | 2021-07-14 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Assessment of prediction methods for protein structures determined by NMR in CASP14: Impact of AlphaFold2. Proteins, 89, 2021
|
|
5EHR
| |
7AER
| Rebuilt and re-refined PDB entry 5yep: tri-AMPylated Shewanella oneidensis HEPN toxin in complex with MNT antitoxin | Descriptor: | ADENOSINE MONOPHOSPHATE, Toxin-antitoxin system antidote Mnt family, Toxin-antitoxin system toxin HepN family | Authors: | Tamulaitiene, G, Sasnauskas, G, Songailiene, I, Juozapaitis, J, Siksnys, V. | Deposit date: | 2020-09-18 | Release date: | 2020-12-30 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | HEPN-MNT Toxin-Antitoxin System: The HEPN Ribonuclease Is Neutralized by OligoAMPylation. Mol.Cell, 80, 2020
|
|
2NO3
| Novel 4-anilinopyrimidines as potent JNK1 Inhibitors | Descriptor: | 2-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)BENZAMIDE, C-JUN-AMINO-TERMINAL KINASE-INTERACTING protein 1, Mitogen-activated protein kinase 8, ... | Authors: | Abad-Zapatero, C. | Deposit date: | 2006-10-24 | Release date: | 2007-04-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Discovery of a new class of 4-anilinopyrimidines as potent c-Jun N-terminal kinase inhibitors: Synthesis and SAR studies. Bioorg.Med.Chem.Lett., 17, 2007
|
|
7JYN
| Solution NMR structure of human Brd3 ET complexed with NSD3(148-184) peptide | Descriptor: | Bromodomain-containing protein 3, Histone-lysine N-methyltransferase NSD3 | Authors: | Aiyer, S, Swapna, G.V.T, Roth, M.J, Montelione, G.T. | Deposit date: | 2020-08-31 | Release date: | 2021-06-23 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | A common binding motif in the ET domain of BRD3 forms polymorphic structural interfaces with host and viral proteins. Structure, 29, 2021
|
|
7JQ8
| Solution NMR structure of human Brd3 ET domain | Descriptor: | Bromodomain-containing protein 3, Integrase peptide | Authors: | Aiyer, S, Swapna, G.V.T, Roth, J.M, Montelione, G.T. | Deposit date: | 2020-08-10 | Release date: | 2021-06-23 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | A common binding motif in the ET domain of BRD3 forms polymorphic structural interfaces with host and viral proteins. Structure, 29, 2021
|
|
2GMX
| Selective Aminopyridine-Based C-Jun N-terminal Kinase inhibitors with cellular activity | Descriptor: | C-jun-amino-terminal kinase-interacting protein 1, Mitogen-activated protein kinase 8, N-(4-AMINO-5-CYANO-6-ETHOXYPYRIDIN-2-YL)-2-(4-BROMO-2,5-DIMETHOXYPHENYL)ACETAMIDE, ... | Authors: | Abad-Zapatero, C. | Deposit date: | 2006-04-07 | Release date: | 2006-06-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Aminopyridine-Based c-Jun N-Terminal Kinase Inhibitors with Cellular Activity and Minimal Cross-Kinase Activity. J.Med.Chem., 49, 2006
|
|
8AHH
| |
8AHG
| |