386D
| THREE-DIMENSIONAL STRUCTURE AND REACTIVITY OF A PHOTOCHEMICAL CLEAVAGE AGENT BOUND TO DNA | Descriptor: | DNA (5'-D(*CP*GP*TP*AP*CP*G)-3'), N,N-BIS(3-AMINOPROPYL)-2-ANTHRAQUINONESULFONAMIDE | Authors: | Gasper, S.M, Armitage, B, Shui, X, Hu, G.G, Yu, C, Schuster, G, Williams, L.D. | Deposit date: | 1998-03-11 | Release date: | 1998-03-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Three-Dimensional Structure and Reactivity of a Photochemical Cleavage Agent Bound to DNA J.Am.Chem.Soc., 120, 1998
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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
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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
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7XED
| Crystal Structure of OsCIE1-Ubox and OsUBC8 complex | Descriptor: | U-box domain-containing protein 12, UBC core domain-containing protein | Authors: | Zhang, Y, Yu, C.Z. | Deposit date: | 2022-03-30 | Release date: | 2023-10-04 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Release of a ubiquitin brake activates OsCERK1-triggered immunity in rice Nature, 2024
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6NHH
| Rhodobacter sphaeroides bc1 with azoxystrobin | Descriptor: | 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, Cytochrome b, Cytochrome c1, ... | Authors: | Xia, D, Zhou, F, Yu, C.A. | Deposit date: | 2018-12-21 | Release date: | 2019-06-19 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of bacterial cytochromebc1in complex with azoxystrobin reveals a conformational switch of the Rieske iron-sulfur protein subunit. J.Biol.Chem., 294, 2019
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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
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6CAD
| Crystal structure of RAF kinase domain bound to the inhibitor 2a | Descriptor: | 1-(propan-2-yl)-3-({3-[3-(trifluoromethyl)phenyl]isoquinolin-8-yl}ethynyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Serine/threonine-protein kinase B-raf | Authors: | Maisonneuve, P, Kurinov, I, Assadieskandar, A, Yu, C, Liu, X, Chen, Y.-C, Prakash, G.K.S, Zhang, C, SIcheri, F. | Deposit date: | 2018-01-30 | Release date: | 2018-02-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Effects of rigidity on the selectivity of protein kinase inhibitors. Eur J Med Chem, 146, 2018
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8H1T
| Cryo-EM structure of BAP1-ASXL1 bound to chromatosome | Descriptor: | DNA (187-MER), Histone H1.4, Histone H2A type 1-D, ... | Authors: | Ge, W, Yu, C, Xu, R.M. | Deposit date: | 2022-10-04 | Release date: | 2023-02-01 | Last modified: | 2023-04-19 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Basis of the H2AK119 specificity of the Polycomb repressive deubiquitinase. Nature, 616, 2023
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1VRX
| Endocellulase e1 from acidothermus cellulolyticus mutant y245g | Descriptor: | ENDOCELLULASE E1 FROM A. CELLULOLYTICUS | Authors: | Baker, J.O, McCarley, J.R, Lovett, R, Yu, C.H, Adney, W.S, Rignall, T.R, Vinzant, T.B, Decker, S.R, Sakon, J, Himmel, M.E. | Deposit date: | 2005-06-30 | Release date: | 2005-07-05 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Catalytically enhanced endocellulase Cel5A from Acidothermus cellulolyticus. Appl.Biochem.Biotechnol., 121-124, 2005
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8F41
| 3-methylcrotonyl-CoA carboxylase in filament, alpha-subunit centered | Descriptor: | 3-methylcrotonyl-CoA carboxylase, alpha-subunit, beta-subunit, ... | Authors: | Hu, J.J, Lee, J.K.J, Liu, Y.T, Yu, C, Huang, L, Afasizheva, I, Afasizhev, R, Zhou, Z.H. | Deposit date: | 2022-11-10 | Release date: | 2023-01-11 | Last modified: | 2023-01-18 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Discovery, structure, and function of filamentous 3-methylcrotonyl-CoA carboxylase. Structure, 31, 2023
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8F3D
| 3-methylcrotonyl-CoA carboxylase in filament, beta-subunit centered | Descriptor: | 3-methylcrotonyl-CoA carboxylase alpha-subunit, 3-methylcrotonyl-CoA carboxylase beta-subunit, 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL | Authors: | Hu, J.J, Lee, J.K.J, Liu, Y.T, Yu, C, Huang, L, Afasizheva, I, Afasizhev, R, Zhou, Z.H. | Deposit date: | 2022-11-09 | Release date: | 2023-01-11 | Last modified: | 2023-01-18 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Discovery, structure, and function of filamentous 3-methylcrotonyl-CoA carboxylase. Structure, 31, 2023
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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
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2GBW
| Crystal Structure of Biphenyl 2,3-Dioxygenase from Sphingomonas yanoikuyae B1 | Descriptor: | Biphenyl 2,3-Dioxygenase Alpha Subunit, Biphenyl 2,3-Dioxygenase Beta Subunit, FE (III) ION, ... | Authors: | Ferraro, D.J, Brown, E.N, Yu, C, Parales, R.E, Gibson, D.T, Ramaswamy, S. | Deposit date: | 2006-03-12 | Release date: | 2007-03-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural investigations of the ferredoxin and terminal oxygenase components of the biphenyl 2,3-dioxygenase from Sphingobium yanoikuyae B1. Bmc Struct.Biol., 7, 2007
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2GBX
| Crystal Structure of Biphenyl 2,3-Dioxygenase from Sphingomonas yanoikuyae B1 Bound to Biphenyl | Descriptor: | BIPHENYL, Biphenyl 2,3-Dioxygenase Alpha Subunit, Biphenyl 2,3-Dioxygenase Beta Subunit, ... | Authors: | Ferraro, D.J, Brown, E.N, Yu, C, Parales, R.E, Gibson, D.T, Ramaswamy, S. | Deposit date: | 2006-03-12 | Release date: | 2007-03-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural investigations of the ferredoxin and terminal oxygenase components of the biphenyl 2,3-dioxygenase from Sphingobium yanoikuyae B1. Bmc Struct.Biol., 7, 2007
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7RR4
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8HPB
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8HQB
| NMR Structure of OsCIE1-Ubox | Descriptor: | U-box domain-containing protein 12 | Authors: | Zhang, Y, Yu, C.Z, Lan, W.X. | Deposit date: | 2022-12-13 | Release date: | 2023-12-20 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Release of a ubiquitin brake activates OsCERK1-triggered immunity in rice. Nature, 2024
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8XC4
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2OQ3
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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
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8IW0
| Crystal structure of the KANK1/liprin-beta1 complex | Descriptor: | Liprin-beta-1,KN motif and ankyrin repeat domain-containing protein 1 | Authors: | Zhang, J, Chen, S, Wei, Z, Yu, C. | Deposit date: | 2023-03-29 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | KANK1 shapes focal adhesions by orchestrating protein binding, mechanical force sensing, and phase separation. Cell Rep, 42, 2023
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6XNP
| Crystal Structure of Human STING CTD complex with SR-717 | Descriptor: | 1,2-ETHANEDIOL, 4,5-difluoro-2-{[6-(1H-imidazol-1-yl)pyridazine-3-carbonyl]amino}benzoic acid, GLYCEROL, ... | 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 (1.77 Å) | Cite: | Antitumor activity of a systemic STING-activating non-nucleotide cGAMP mimetic. Science, 369, 2020
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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
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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
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7SIY
| cCBL TKB domain in complex with pZAP70 peptide | Descriptor: | E3 ubiquitin-protein ligase CBL, MAGNESIUM ION, Peptide from Tyrosine-protein kinase ZAP-70 | Authors: | Murray, J.M, Yu, C. | Deposit date: | 2021-10-15 | Release date: | 2022-11-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | cCBL TKB domain in complex with pZAP70 peptide To Be Published
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