2BKJ
 
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8TQD
 | | NF-Kappa-B1 Bound with a Covalent Inhibitor | | Descriptor: | 1-(2-bromo-4-chlorophenyl)-N-{(3S)-1-[(E)-iminomethyl]pyrrolidin-3-yl}methanesulfonamide, Nuclear factor NF-kappa-B p105 subunit | | Authors: | Hilbert, B.J. | | Deposit date: | 2023-08-07 | | Release date: | 2024-04-24 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | DrugMap: A quantitative pan-cancer analysis of cysteine ligandability.
Cell, 187, 2024
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8YX2
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8YX5
 | | Crystal Structure of SARS CoV-2 Papain-like Protease PLpro-C111S in Complex with GZNL-P35 | | Descriptor: | 5-[(1~{R},5~{S})-3,6-diazabicyclo[3.1.1]heptan-3-yl]-2-methyl-~{N}-[1-(1-methyl-2-oxidanylidene-benzo[cd]indol-6-yl)cyclopropyl]benzamide, GLYCEROL, Papain-like protease nsp3, ... | | Authors: | Lu, Y, Shang, J. | | Deposit date: | 2024-04-02 | | Release date: | 2024-12-04 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Discovery of orally bioavailable SARS-CoV-2 papain-like protease inhibitor as a potential treatment for COVID-19.
Nat Commun, 15, 2024
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9C7W
 | | human OC43 Main Protease (1-303) in complex with potent inhibitor | | Descriptor: | (8S)-3-(4,4-difluorocyclohexyl)-5-(pyrimidin-2-yl)pyrazolo[1,5-a]pyrimidine, ORF1ab polyprotein | | Authors: | Tang, J.Y, Knapp, M.S. | | Deposit date: | 2024-06-11 | | Release date: | 2024-10-16 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Identification of Potent, Broad-Spectrum Coronavirus Main Protease Inhibitors for Pandemic Preparedness.
J.Med.Chem., 67, 2024
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6IZM
 | | Crystal structure of the PPARgamma-LBD complexed with compound 1l | | Descriptor: | 3-[[6-(2,6-dimethylpyridin-3-yl)oxy-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid, Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, Peroxisome proliferator-activated receptor gamma | | Authors: | Matsui, Y, Hanzawa, H. | | Deposit date: | 2018-12-20 | | Release date: | 2019-03-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-Activity Relationship Studies of 3- or 4-Pyridine Derivatives of DS-6930.
Acs Med.Chem.Lett., 10, 2019
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8P1C
 | | Lysozyme structure solved from serial crystallography data collected at 1 kHz with JUNGFRAU detector at MAXIV | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | | Authors: | Nan, J, Leonarski, F, Furrer, A, Dworkowski, F. | | Deposit date: | 2023-05-11 | | Release date: | 2023-10-18 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Kilohertz serial crystallography with the JUNGFRAU detector at a fourth-generation synchrotron source.
Iucrj, 10, 2023
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8P1B
 | | Lysozyme structure solved from serial crystallography data collected at 2 kHz with JUNGFRAU detector at MAXIV | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C | | Authors: | Nan, J, Leonarski, F, Furrer, A, Dworkowski, F. | | Deposit date: | 2023-05-11 | | Release date: | 2023-10-18 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Kilohertz serial crystallography with the JUNGFRAU detector at a fourth-generation synchrotron source.
Iucrj, 10, 2023
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8P1A
 | | Lysozyme structure solved from serial crystallography data collected at 2 kHz for 5 seconds with JUNGFRAU detector at MAXIV | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C | | Authors: | Nan, J, Leonarski, F, Furrer, A, Dworkowski, F. | | Deposit date: | 2023-05-11 | | Release date: | 2023-10-18 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Kilohertz serial crystallography with the JUNGFRAU detector at a fourth-generation synchrotron source.
Iucrj, 10, 2023
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8P1D
 | | Lysozyme structure solved from serial crystallography data collected at 100 Hz with JUNGFRAU detector at MAXIV | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | | Authors: | Nan, J, Leonarski, F, Furrer, A, Dworkowski, F. | | Deposit date: | 2023-05-11 | | Release date: | 2023-10-18 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Kilohertz serial crystallography with the JUNGFRAU detector at a fourth-generation synchrotron source.
Iucrj, 10, 2023
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8RWE
 | | Crystal structure of the adenosine A2A receptor in complex with the synthetic photoswitch 'StilSwitch4 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1,3-diethyl-8-[(~{E})-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]-7-methyl-purine-2,6-dione, Adenosine receptor A2a,Soluble cytochrome b562, ... | | Authors: | Glover, H. | | Deposit date: | 2024-02-03 | | Release date: | 2025-01-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Photoswitch dissociation from a G protein-coupled receptor resolved by time-resolved serial crystallography.
Nat Commun, 15, 2024
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8RWI
 | | Steady state structure of the human adenosine A2A receptor bound to synthetic photoswitch 'StilSwitch2' determined by serial synchrotron crystallography | | Descriptor: | 8-[(~{E})-2-[3,4-bis(oxidanyl)phenyl]ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione, Adenosine receptor A2a,Soluble cytochrome b562, CHOLESTEROL, ... | | Authors: | Glover, H, Weinert, T. | | Deposit date: | 2024-02-05 | | Release date: | 2025-01-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Photoswitch dissociation from a G protein-coupled receptor resolved by time-resolved serial crystallography.
Nat Commun, 15, 2024
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8RW4
 | | Crystal structure of the adenosine A2A receptor in complex with the synthetic photoswitch 'AzoSwitch2 | | Descriptor: | 8-[(~{E})-(3,4-dimethoxyphenyl)diazenyl]-1,3-diethyl-7~{H}-purine-2,6-dione, Adenosine receptor A2a,Soluble cytochrome b562, CHOLESTEROL, ... | | Authors: | Glover, H. | | Deposit date: | 2024-02-02 | | Release date: | 2025-01-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Photoswitch dissociation from a G protein-coupled receptor resolved by time-resolved serial crystallography.
Nat Commun, 15, 2024
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8RWC
 | | Crystal structure of the adenosine A2A receptor in complex with the synthetic photoswitch 'StilSwitch2 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 8-[(~{E})-2-[3,4-bis(oxidanyl)phenyl]ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione, Adenosine receptor A2a,Soluble cytochrome b562, ... | | Authors: | Glover, H. | | Deposit date: | 2024-02-02 | | Release date: | 2025-01-08 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Photoswitch dissociation from a G protein-coupled receptor resolved by time-resolved serial crystallography.
Nat Commun, 15, 2024
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8RWD
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8RWX
 | | Steady state structure of the human adenosine A2A receptor bound to synthetic photoswitch 'StilSwitch3' determined by serial synchrotron crystallography | | Descriptor: | 1,3-diethyl-8-[(~{E})-2-(4-methoxy-3-oxidanyl-phenyl)ethenyl]-7-methyl-purine-2,6-dione, Adenosine receptor A2a,Soluble cytochrome b562, OLEIC ACID, ... | | Authors: | Glover, H, Bertrand, Q, Weinert, T. | | Deposit date: | 2024-02-05 | | Release date: | 2025-01-08 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Photoswitch dissociation from a G protein-coupled receptor resolved by time-resolved serial crystallography.
Nat Commun, 15, 2024
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8RW0
 | | Crystal structure of the adenosine A2A receptor in complex with Istradefylline | | Descriptor: | 8-[(~{E})-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione, Adenosine receptor A2a,Soluble cytochrome b562, CHOLESTEROL, ... | | Authors: | Glover, H. | | Deposit date: | 2024-02-02 | | Release date: | 2025-01-08 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Photoswitch dissociation from a G protein-coupled receptor resolved by time-resolved serial crystallography.
Nat Commun, 15, 2024
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8RVW
 | | Dark structure of the human adenosine A2A receptor bound to synthetic photoswitch "StilSwitch3" determined by serial synchrotron crystallography | | Descriptor: | 1,3-diethyl-8-[(~{E})-2-(4-methoxy-3-oxidanyl-phenyl)ethenyl]-7-methyl-purine-2,6-dione, Adenosine receptor A2a,Adenosine receptor A2a,Soluble cytochrome b562, CHOLESTEROL, ... | | Authors: | Glover, H, Bertrand, Q. | | Deposit date: | 2024-02-02 | | Release date: | 2025-01-08 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Photoswitch dissociation from a G protein-coupled receptor resolved by time-resolved serial crystallography.
Nat Commun, 15, 2024
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8RWH
 | | Dark structure of the human adenosine A2A receptor bound to synthetic photoswitch 'StilSwitch2' determined by serial synchrotron crystallography | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 8-[(~{E})-2-[3,4-bis(oxidanyl)phenyl]ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione, ... | | Authors: | Glover, H, Weinert, T. | | Deposit date: | 2024-02-04 | | Release date: | 2025-01-08 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Photoswitch dissociation from a G protein-coupled receptor resolved by time-resolved serial crystallography.
Nat Commun, 15, 2024
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3KY9
 | | Autoinhibited Vav1 | | Descriptor: | Proto-oncogene vav, ZINC ION | | Authors: | Tomchick, D.R, Rosen, M.K, Machius, M, Yu, B. | | Deposit date: | 2009-12-04 | | Release date: | 2010-02-23 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.731 Å) | | Cite: | Structural and Energetic Mechanisms of Cooperative Autoinhibition and Activation of Vav1
Cell(Cambridge,Mass.), 140, 2010
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3ER5
 | | THE ACTIVE SITE OF ASPARTIC PROTEINASES | | Descriptor: | ENDOTHIAPEPSIN, H-189 | | Authors: | Bailey, D, Veerapandian, B, Cooper, J, Szelke, M, Blundell, T.L. | | Deposit date: | 1991-01-05 | | Release date: | 1991-04-15 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | X-ray-crystallographic studies of complexes of pepstatin A and a statine-containing human renin inhibitor with endothiapepsin.
Biochem.J., 289 ( Pt 2), 1993
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4XXB
 | | Crystal structure of human MDM2-RPL11 | | Descriptor: | 60S ribosomal protein L11, BETA-MERCAPTOETHANOL, E3 ubiquitin-protein ligase Mdm2, ... | | Authors: | Zheng, J, Chen, Z. | | Deposit date: | 2015-01-30 | | Release date: | 2015-08-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of human MDM2 complexed with RPL11 reveals the molecular basis of p53 activation
Genes Dev., 29, 2015
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8OVF
 | | Human Mitochondrial Lon Y186F Mutant ADP Bound | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Lon protease homolog, mitochondrial | | Authors: | Kereiche, S, Bauer, J.A, Matyas, P, Novacek, J, Kutejova, E. | | Deposit date: | 2023-04-26 | | Release date: | 2024-05-08 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (7.23 Å) | | Cite: | Polyphosphate and tyrosine phosphorylation in the N-terminal domain of the human mitochondrial Lon protease disrupts its functions.
Sci Rep, 14, 2024
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8OVG
 | | Human Mitochondrial Lon Y186E Mutant ADP Bound | | Descriptor: | Lon protease homolog, mitochondrial | | Authors: | Kereiche, S, Bauer, J.A, Matyas, P, Novacek, J, Kutejova, E. | | Deposit date: | 2023-04-26 | | Release date: | 2024-05-08 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (8.47 Å) | | Cite: | Polyphosphate and tyrosine phosphorylation in the N-terminal domain of the human mitochondrial Lon protease disrupts its functions.
Sci Rep, 14, 2024
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8P9E
 | | Crystal structure of wild type p63-p73 heterotetramer (tetramerisation domain) in complex with darpin 1810 F11 | | Descriptor: | Darpin 1810 F11, GLYCEROL, Isoform 2 of Tumor protein 63, ... | | Authors: | Chaikuad, A, Strubel, A, Doetsch, V, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-06-05 | | Release date: | 2023-11-08 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | DARPins detect the formation of hetero-tetramers of p63 and p73 in epithelial tissues and in squamous cell carcinoma.
Cell Death Dis, 14, 2023
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