4BBE
| Aminoalkylpyrimidine Inhibitor Complexes with JAK2 | Descriptor: | N-[4-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]phenyl]ethanamide, TYROSINE-PROTEIN KINASE JAK2 | Authors: | Li, J. | Deposit date: | 2012-09-21 | Release date: | 2012-11-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Sar and in Vivo Evaluation of 4-Aryl-2-Aminoalkylpyrimidines as Potent and Selective Janus Kinase 2 (Jak2) Inhibitors Bioorg.Med.Chem.Lett., 22, 2012
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5N67
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5N68
| Crystal Structure of p38alpha in Complex with Lipid Pocket Ligand 9m | Descriptor: | 2-(4-morpholin-4-ylphenyl)-~{N}4-(2-phenylethyl)quinazoline-4,7-diamine, Mitogen-activated protein kinase 14 | Authors: | Buehrmann, M, Mueller, M.P, Rauh, D. | Deposit date: | 2017-02-14 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure-based design, synthesis and crystallization of 2-arylquinazolines as lipid pocket ligands of p38 alpha MAPK. PLoS ONE, 12, 2017
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5N63
| Crystal Structure of p38alpha in Complex with Lipid Pocket Ligand 9c | Descriptor: | Mitogen-activated protein kinase 14, ~{N}4-[(4-fluorophenyl)methyl]-2-phenyl-quinazoline-4,7-diamine | Authors: | Buehrmann, M, Mueller, M.P, Rauh, D. | Deposit date: | 2017-02-14 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-based design, synthesis and crystallization of 2-arylquinazolines as lipid pocket ligands of p38 alpha MAPK. PLoS ONE, 12, 2017
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1NRJ
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5NNZ
| Crystal structure of human ODA16 | Descriptor: | Dynein assembly factor with WDR repeat domains 1 | Authors: | Lorentzen, E, Taschner, T, Basquin, J. | Deposit date: | 2017-04-10 | Release date: | 2017-06-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.651 Å) | Cite: | Purification and crystal structure of human ODA16: Implications for ciliary import of outer dynein arms by the intraflagellar transport machinery. Protein Sci., 29, 2020
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8EG3
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7NLM
| LasB, N-aryl-2-butylmercaptoacetamide | Descriptor: | (S)-2-mercapto-N-(4-methoxyphenyl)-4-methylpentanamide, CALCIUM ION, Pro-elastase, ... | Authors: | Koehnke, J, Sikandar, A. | Deposit date: | 2021-02-22 | Release date: | 2022-09-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | LasB, N-aryl-2-butylmercaptoacetamide inhibitor complex to be published
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7NLK
| LasB, N-aryl-2-butylmercaptoacetamide | Descriptor: | (S)-2-mercapto-4-methyl-N-(p-tolyl)pentanamide, CALCIUM ION, Pro-elastase, ... | Authors: | Koehnke, J, Sikandar, A. | Deposit date: | 2021-02-22 | Release date: | 2022-09-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | LasB, N-aryl-2-butylmercaptoacetamide inhibitor complex to be published
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6IYL
| The structure of EntE with 3-cyanobenzoyl adenylate analog | Descriptor: | 2,3-dihydroxybenzoate-AMP ligase component of enterobactin synthase multienzyme complex, 5'-O-[(3-cyanobenzene-1-carbonyl)sulfamoyl]adenosine | Authors: | Miyanaga, A, Ishikawa, F. | Deposit date: | 2018-12-17 | Release date: | 2019-04-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | An Engineered Aryl Acid Adenylation Domain with an Enlarged Substrate Binding Pocket. Angew.Chem.Int.Ed.Engl., 58, 2019
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7BEE
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7BDU
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6VYC
| Crystal structure of WD-repeat domain of human WDR91 | Descriptor: | UNKNOWN ATOM OR ION, WD repeat-containing protein 91 | Authors: | Halabelian, L, Hutchinson, A, Li, Y, Seitova, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | Deposit date: | 2020-02-26 | Release date: | 2020-03-25 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning. J.Med.Chem., 66, 2023
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5FEB
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1N9R
| Crystal structure of a heptameric ring complex of yeast SmF in spacegroup P4122 | Descriptor: | Small nuclear ribonucleoprotein F | Authors: | Collins, B.M, Cubeddu, L, Naidoo, N, Harrop, S.J, Kornfeld, G.D, Dawes, I.W, Curmi, P.M.G, Mabbutt, B.C. | Deposit date: | 2002-11-26 | Release date: | 2002-12-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Homomeric ring assemblies of eukaryotic Sm proteins have affinity for
both RNA and DNA: Crystal structure of an oligomeric complex of yeast
SmF J.Biol.Chem., 278, 2003
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7VGM
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4BBF
| Aminoalkylpyrimidine Inhibitor Complexes with JAK2 | Descriptor: | (2R)-N-[4-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide, TYROSINE-PROTEIN KINASE JAK2 | Authors: | Li, J. | Deposit date: | 2012-09-21 | Release date: | 2012-11-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Sar and in Vivo Evaluation of 4-Aryl-2-Aminoalkylpyrimidines as Potent and Selective Janus Kinase 2 (Jak2) Inhibitors Bioorg.Med.Chem.Lett., 22, 2012
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1ZZD
| Structures of Yeast Ribonucleotide Reductase I | Descriptor: | Ribonucleoside-diphosphate reductase large chain 1, Ribonucleoside-diphosphate reductase small chain 2 | Authors: | Xu, H, Faber, C, Uchiki, T, Fairman, J.W, Racca, J, Dealwis, C. | Deposit date: | 2005-06-13 | Release date: | 2006-03-07 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structures of eukaryotic ribonucleotide reductase I provide insights into dNTP regulation Proc.Natl.Acad.Sci.Usa, 103, 2006
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1A69
| PURINE NUCLEOSIDE PHOSPHORYLASE IN COMPLEX WITH FORMYCIN B AND SULPHATE (PHOSPHATE) | Descriptor: | FORMYCIN B, PURINE NUCLEOSIDE PHOSPHORYLASE, SULFATE ION | Authors: | Koellner, G, Luic, M, Shugar, D, Saenger, W, Bzowska, A. | Deposit date: | 1998-03-08 | Release date: | 1998-10-14 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of the ternary complex of E. coli purine nucleoside phosphorylase with formycin B, a structural analogue of the substrate inosine, and phosphate (Sulphate) at 2.1 A resolution. J.Mol.Biol., 280, 1998
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6SUK
| Crystal structure of Neprilysin in complex with Omapatrilat. | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | Authors: | Cozier, G.E, Acharya, K.R, Sharma, U. | Deposit date: | 2019-09-15 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Molecular Basis for Omapatrilat and Sampatrilat Binding to Neprilysin-Implications for Dual Inhibitor Design with Angiotensin-Converting Enzyme. J.Med.Chem., 63, 2020
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4C92
| Crystal structure of the yeast Lsm1-7 complex | Descriptor: | SM-LIKE PROTEIN LSM1, U6 SNRNA-ASSOCIATED SM-LIKE PROTEIN LSM2, U6 SNRNA-ASSOCIATED SM-LIKE PROTEIN LSM3, ... | Authors: | Sharif, H, Conti, E. | Deposit date: | 2013-10-02 | Release date: | 2013-10-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.299 Å) | Cite: | Architecture of the Lsm1-7-Pat1 Complex: A Conserved Assembly in Eukaryotic Mrna Turnover Cell Rep., 5, 2013
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8EKM
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8EKK
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4BXF
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8EKL
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