6IRR
| Solution structure of DISC1/ATF4 complex | Descriptor: | Disrupted in schizophrenia 1 homolog,Cyclic AMP-dependent transcription factor ATF-4 | Authors: | Ye, F, Yu, C, Zhang, M. | Deposit date: | 2018-11-14 | Release date: | 2019-09-25 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural interaction between DISC1 and ATF4 underlying transcriptional and synaptic dysregulation in an iPSC model of mental disorders. Mol. Psychiatry, 2019
|
|
2X44
| Structure of a strand-swapped dimeric form of CTLA-4 | Descriptor: | CYTOTOXIC T-LYMPHOCYTE PROTEIN 4 | Authors: | Sonnen, A.F.-P, Yu, C, Evans, E.J, Stuart, D.I, Davis, S.J, Gilbert, R.J.C. | Deposit date: | 2010-01-28 | Release date: | 2010-04-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Domain Metastability: A Molecular Basis for Immunoglobulin Deposition? J.Mol.Biol., 399, 2010
|
|
5KUP
| Bruton's tyrosine kinase (BTK) with pyridazinone compound 9 | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 6-~{tert}-butyl-8-fluoranyl-2-[3-(hydroxymethyl)-4-[1-methyl-6-oxidanylidene-5-(pyrimidin-4-ylamino)pyridin-3-yl]pyridin-2-yl]phthalazin-1-one, GLYCEROL, ... | Authors: | Eigenbrot, C, Yu, C. | Deposit date: | 2016-07-13 | Release date: | 2016-09-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.389 Å) | Cite: | Battling Btk Mutants With Noncovalent Inhibitors That Overcome Cys481 and Thr474 Mutations. Acs Chem.Biol., 11, 2016
|
|
1X32
| |
1NTM
| Crystal Structure of Mitochondrial Cytochrome bc1 Complex at 2.4 Angstrom | Descriptor: | Cytochrome b, FE2/S2 (INORGANIC) CLUSTER, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Gao, X, Wen, X, Esser, L, Quinn, B, Yu, L, Yu, C, Xia, D. | Deposit date: | 2003-01-30 | Release date: | 2003-10-07 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis for the quinone reduction in the bc(1) complex: a comparative analysis of crystal structures of mitochondrial cytochrome bc(1) with bound substrate and inhibitors at the Q(i) site Biochemistry, 42, 2003
|
|
1KBS
| SOLUTION STRUCTURE OF CARDIOTOXIN IV, NMR, 1 STRUCTURE | Descriptor: | CTX IV | Authors: | Jeng, J.Y, Kumar, T.K.S, Jayaraman, G, Yu, C. | Deposit date: | 1996-07-22 | Release date: | 1997-07-23 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Comparison of the hemolytic activity and solution structures of two snake venom cardiotoxin analogues which only differ in their N-terminal amino acid. Biochemistry, 36, 1997
|
|
1KBT
| SOLUTION STRUCTURE OF CARDIOTOXIN IV, NMR, 12 STRUCTURES | Descriptor: | CTX IV | Authors: | Jeng, J.Y, Kumar, T.K.S, Jayaraman, G, Yu, C. | Deposit date: | 1996-07-22 | Release date: | 1997-07-23 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Comparison of the hemolytic activity and solution structures of two snake venom cardiotoxin analogues which only differ in their N-terminal amino acid. Biochemistry, 36, 1997
|
|
4RX5
| Bruton's tyrosine kinase (BTK) with pyridazinone compound 23 | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, GLYCEROL, N-(6-fluoro-2-methyl-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl)-1-benzothiophene-2-carboxamide, ... | Authors: | Eigenbrot, C, Yu, C. | Deposit date: | 2014-12-08 | Release date: | 2015-12-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.356 Å) | Cite: | Discovery of highly potent and selective Bruton's tyrosine kinase inhibitors: Pyridazinone analogs with improved metabolic stability. Bioorg.Med.Chem.Lett., 26, 2016
|
|
1TXA
| SOLUTION NMR STRUCTURE OF TOXIN B, A LONG NEUROTOXIN FROM THE VENOM OF THE KING COBRA, MINIMIZED AVERAGE STRUCTURE | Descriptor: | TOXIN B | Authors: | Peng, S.-S, Kumar, T.K.S, Jayaraman, G, Chang, C.-C, Yu, C. | Deposit date: | 1996-07-20 | Release date: | 1997-10-15 | Last modified: | 2017-11-29 | Method: | SOLUTION NMR | Cite: | Solution structure of toxin b, a long neurotoxin from the venom of the king cobra (Ophiophagus hannah). J.Biol.Chem., 272, 1997
|
|
1X3P
| |
1WVZ
| |
6O8U
| Crystal structure of IRAK4 in complex with compound 23 | Descriptor: | GLYCEROL, Interleukin-1 receptor-associated kinase 4, N-[2,2-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, ... | Authors: | Kiefer, J.R, Yu, C, Drobnick, J, Bryan, M.C, Lupardus, P.J. | Deposit date: | 2019-03-12 | Release date: | 2019-05-22 | Last modified: | 2019-07-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors. J.Med.Chem., 62, 2019
|
|
1X3Q
| |
1TXB
| SOLUTION NMR STRUCTURE OF TOXIN B, A LONG NEUROTOXIN FROM THE VENOM OF THE KING COBRA, 10 STRUCTURES | Descriptor: | TOXIN B | Authors: | Peng, S.-S, Kumar, T.K.S, Jayaraman, G, Chang, C.-C, Yu, C. | Deposit date: | 1996-07-20 | Release date: | 1997-10-15 | Last modified: | 2017-11-29 | Method: | SOLUTION NMR | Cite: | Solution structure of toxin b, a long neurotoxin from the venom of the king cobra (Ophiophagus hannah). J.Biol.Chem., 272, 1997
|
|
2OQ3
| |
6NSQ
| Crystal structure of BRAF kinase domain bound to the inhibitor 2l | Descriptor: | 5-[(4-amino-1-ethyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)ethynyl]-N-(4-chlorophenyl)-6-methylisoquinolin-1-amine, Serine/threonine-protein kinase B-raf | Authors: | Maisonneuve, P, Kurinov, I, Assadieskandar, A, Yu, C, Zhang, C, Sicheri, F. | Deposit date: | 2019-01-25 | Release date: | 2019-06-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Rigidification Dramatically Improves Inhibitor Selectivity for RAF Kinases. Acs Med.Chem.Lett., 10, 2019
|
|
5YI4
| Solution Structure of the DISC1/Ndel1 complex | Descriptor: | Disrupted in schizophrenia 1 homolog,Nuclear distribution protein nudE-like 1 | Authors: | Ye, F, Yu, C, Yu, C, Zhang, M. | Deposit date: | 2017-10-02 | Release date: | 2017-11-15 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | DISC1 Regulates Neurogenesis via Modulating Kinetochore Attachment of Ndel1/Nde1 during Mitosis. Neuron, 96, 2017
|
|
6XE4
| BTK Fluorocyclopropyl amide inhibitor, Compound 25 | Descriptor: | (1S,2S)-N-[2'-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-3'-(hydroxymethyl)-1-methyl-6-oxo[1,6-dihydro[3,4'-bipyridine]]-5-yl]-2-fluorocyclopropane-1-carboxamide, SULFATE ION, Tyrosine-protein kinase BTK | Authors: | Kiefer, J.R, Crawford, J.J, Lee, W, Eigenbrot, C, Yu, C. | Deposit date: | 2020-06-11 | Release date: | 2020-07-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Stereochemical Differences in Fluorocyclopropyl Amides Enable Tuning of Btk Inhibition and Off-Target Activity. Acs Med.Chem.Lett., 11, 2020
|
|
2AL3
| Solution structure and backbone dynamics of an N-terminal ubiquitin-like domain in the GLUT4-tethering protein, TUG | Descriptor: | TUG long isoform | Authors: | Tettamanzi, M.C, Yu, C, Bogan, J.S, Hodsdon, M.E. | Deposit date: | 2005-08-04 | Release date: | 2006-03-21 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure and backbone dynamics of an N-terminal ubiquitin-like domain in the GLUT4-regulating protein, TUG. Protein Sci., 15, 2006
|
|
2B7D
| Factor VIIa Inhibitors: Chemical Optimization, Preclinical Pharmacokinetics, Pharmacodynamics, and Efficacy in a Baboon Thrombosis Model | Descriptor: | (2R)-2-[5-(5-CARBAMIMIDOYL-1H-BENZOIMIDAZOL-2-YL)-6,2'-DIHYDROXY-5'-UREIDOMETHYL-BIPHENYL-3-YL]-SUCCINIC ACID, Coagulation factor VII, Tissue factor | Authors: | Young, W.B, Mordenti, J, Torkelson, S, Shrader, W.D, Kolesnikov, A, Rai, R, Liu, L, Hu, H, Leahy, E.M, Green, M.J, Sprengeler, P.A, Katz, B.A, Yu, C, Janc, J.W, Elrod, K.C, Marzec, U.M, Hanson, S.R. | Deposit date: | 2005-10-04 | Release date: | 2006-02-14 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Factor VIIa inhibitors: Chemical optimization, preclinical pharmacokinetics, pharmacodynamics, and efficacy in an arterial baboon thrombosis model. Bioorg.Med.Chem.Lett., 16, 2006
|
|
2BMQ
| The Crystal Structure of Nitrobenzene Dioxygenase in complex with nitrobenzene | Descriptor: | 1,2-ETHANEDIOL, ETHANOL, FE (III) ION, ... | Authors: | Friemann, R, Ivkovic-Jensen, M.M, Lessner, D.J, Yu, C, Gibson, D.T, Parales, R.E, Eklund, H, Ramaswamy, S. | Deposit date: | 2005-03-15 | Release date: | 2005-05-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural insight into the dioxygenation of nitroarene compounds: the crystal structure of nitrobenzene dioxygenase. J. Mol. Biol., 348, 2005
|
|
2BMO
| The Crystal Structure of Nitrobenzene Dioxygenase | Descriptor: | 1,2-ETHANEDIOL, ETHANOL, FE (III) ION, ... | Authors: | Friemann, R, Ivkovic-Jensen, M.M, Lessner, D.J, Yu, C, Gibson, D.T, Parales, R.E, Eklund, H, Ramaswamy, S. | Deposit date: | 2005-03-15 | Release date: | 2005-05-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structural insight into the dioxygenation of nitroarene compounds: the crystal structure of nitrobenzene dioxygenase. J. Mol. Biol., 348, 2005
|
|
2BMR
| The Crystal Structure of Nitrobenzene Dioxygenase in complex with 3- nitrotoluene | Descriptor: | 1,2-ETHANEDIOL, 3-NITROTOLUENE, ETHANOL, ... | Authors: | Friemann, R, Ivkovic-Jensen, M.M, Lessner, D.J, Yu, C, Gibson, D.T, Parales, R.E, Eklund, H, Ramaswamy, S. | Deposit date: | 2005-03-15 | Release date: | 2005-05-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural insight into the dioxygenation of nitroarene compounds: the crystal structure of nitrobenzene dioxygenase. J. Mol. Biol., 348, 2005
|
|
2CXJ
| |
6XNN
| Crystal Structure of Mouse STING CTD complex with SR-717. | Descriptor: | 4,5-difluoro-2-{[6-(1H-imidazol-1-yl)pyridazine-3-carbonyl]amino}benzoic acid, Stimulator of interferon genes protein | Authors: | Chin, E.N, Yu, C, Wolan, D.W, Petrassi, H.M, Lairson, L.L. | Deposit date: | 2020-07-03 | Release date: | 2020-08-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Antitumor activity of a systemic STING-activating non-nucleotide cGAMP mimetic. Science, 369, 2020
|
|