8H92
| |
4J72
| Crystal Structure of polyprenyl-phosphate N-acetyl hexosamine 1-phosphate transferase | Descriptor: | MAGNESIUM ION, NICKEL (II) ION, Phospho-N-acetylmuramoyl-pentapeptide-transferase | Authors: | Lee, S.Y, Chung, B.C, Gillespie, R.A, Kwon, D.Y, Guan, Z, Zhou, P, Hong, J. | Deposit date: | 2013-02-12 | Release date: | 2013-09-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Crystal structure of MraY, an essential membrane enzyme for bacterial cell wall synthesis. Science, 341, 2013
|
|
7WK0
| Local refine of Omicron spike bitrimer with 6m6 antibody | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6m6 heavy chain, 6m6 light chain, ... | Authors: | Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L. | Deposit date: | 2022-01-08 | Release date: | 2022-07-13 | Last modified: | 2022-09-14 | Method: | ELECTRON MICROSCOPY (3.32 Å) | Cite: | A broadly neutralizing antibody against SARS-CoV-2 Omicron variant infection exhibiting a novel trimer dimer conformation in spike protein binding. Cell Res., 32, 2022
|
|
7WJY
| Omicron spike trimer with 6m6 antibody | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6m6 heavy chain, 6m6 light chain, ... | Authors: | Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L. | Deposit date: | 2022-01-08 | Release date: | 2022-07-13 | Last modified: | 2022-09-14 | Method: | ELECTRON MICROSCOPY (3.24 Å) | Cite: | A broadly neutralizing antibody against SARS-CoV-2 Omicron variant infection exhibiting a novel trimer dimer conformation in spike protein binding. Cell Res., 32, 2022
|
|
7WJZ
| Omicron Spike bitrimer with 6m6 antibody | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6m6 heavy chain, 6m6 light chain, ... | Authors: | Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L. | Deposit date: | 2022-01-08 | Release date: | 2022-07-13 | Last modified: | 2022-09-14 | Method: | ELECTRON MICROSCOPY (3.34 Å) | Cite: | A broadly neutralizing antibody against SARS-CoV-2 Omicron variant infection exhibiting a novel trimer dimer conformation in spike protein binding. Cell Res., 32, 2022
|
|
3CWJ
| Crystal structure of hcv ns5b polymerase with a novel pyridazinone inhibitor | Descriptor: | N-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,4-benzothiazin-7-yl}methanesulfonamide, RNA-DIRECTED RNA POLYMERASE | Authors: | Han, Q, Showalter, R.E, Zhao, Q, Kissinger, C.R. | Deposit date: | 2008-04-21 | Release date: | 2009-04-21 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | 4-(1,1-Dioxo-1,4-dihydro-1lambda6-benzo[1,4]thiazin-3-yl)-5-hydroxy-2H-pyridazin-3-ones as potent inhibitors of HCV NS5B polymerase Bioorg.Med.Chem.Lett., 18, 2008
|
|
4MKA
| Hepatitis C Virus polymerase NS5B genotype 1b (BK) in complex with inhibitor 13 (N-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]-1,3-benzoxazol-5-yl}methanesulfonamide) | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, N-{3-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]-1-oxo-1H-isochromen-7-yl}methanesulfonamide, ... | Authors: | Harris, S.F, Wong, A. | Deposit date: | 2013-09-04 | Release date: | 2013-10-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery of a Novel Series of Potent Non-Nucleoside Inhibitors of Hepatitis C Virus NS5B. J.Med.Chem., 56, 2013
|
|
5WMT
| |
8IJR
| The cryo-EM structure of human sphingomyelin synthase-related protein in complex with diacylglycerol/phosphoethanolamine | Descriptor: | (2S)-1-(hexadecanoyloxy)-3-hydroxypropan-2-yl (11Z)-octadec-11-enoate, PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER, Sphingomyelin synthase-related protein 1 | Authors: | Hu, K, Zhang, Q, Chen, Y, Yao, D, Zhou, L, Cao, Y. | Deposit date: | 2023-02-28 | Release date: | 2024-02-28 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.29 Å) | Cite: | Cryo-EM structure of human sphingomyelin synthase and its mechanistic implications for sphingomyelin synthesis. Nat.Struct.Mol.Biol., 31, 2024
|
|
8IJQ
| The cryo-EM structure of human sphingomyelin synthase-related protein in complex with ceramide | Descriptor: | N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL)PALMITAMIDE, Sphingomyelin synthase-related protein 1 | Authors: | Hu, K, Zhang, Q, Chen, Y, Yao, D, Zhou, L, Cao, Y. | Deposit date: | 2023-02-27 | Release date: | 2024-02-28 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.45 Å) | Cite: | Cryo-EM structure of human sphingomyelin synthase and its mechanistic implications for sphingomyelin synthesis. Nat.Struct.Mol.Biol., 31, 2024
|
|
3CO9
| Crystal structure of HCV NS5B polymerase with a novel pyridazinone inhibitor | Descriptor: | N-{3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,2-dihydropyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7 -yl}methanesulfonamide, RNA-directed RNA polymerase | Authors: | Han, Q, Showalter, R.E, Zhao, Q, Kissinger, C.R. | Deposit date: | 2008-03-27 | Release date: | 2009-02-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Pyrrolo[1,2-b]pyridazin-2-ones as potent inhibitors of HCV NS5B polymerase. Bioorg.Med.Chem.Lett., 18, 2008
|
|
4J01
| Crystal Structure of Fischerella Transcription Factor HetR complexed with 29mer DNA target | Descriptor: | DNA (29-MER), SULFATE ION, Transcription Factor HetR | Authors: | Kim, Y, Joachimiak, G, Gornicki, P, Joachimiak, A, MCSG, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2013-01-30 | Release date: | 2013-03-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.246 Å) | Cite: | Structures of complexes comprised of Fischerella transcription factor HetR with Anabaena DNA targets. Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
4IZZ
| Crystal Structure of Fischerella Transcription Factor HetR complexed with 21mer DNA target | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*GP*TP*GP*AP*GP*GP*GP*GP*TP*TP*AP*AP*AP*CP*CP*CP*CP*TP*CP*AP*C)-3'), SULFATE ION, ... | Authors: | Kim, Y, Joachimiak, G, Gornicki, P, Joachimiak, A, MCSG, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2013-01-30 | Release date: | 2013-03-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.502 Å) | Cite: | Structures of complexes comprised of Fischerella transcription factor HetR with Anabaena DNA targets. Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
4J00
| Crystal Structure of Fischerella Transcription Factor HetR complexed with 24mer DNA target | Descriptor: | DNA (5'-D(*TP*GP*GP*TP*GP*AP*GP*GP*GP*GP*TP*TP*AP*AP*AP*CP*CP*CP*CP*TP*CP*AP*CP*C)-3'), MAGNESIUM ION, Transcription Factor HetR | Authors: | Kim, Y, Joachimiak, G, Gornicki, P, Joachimiak, A, MCSG, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2013-01-30 | Release date: | 2013-03-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.004 Å) | Cite: | Structures of complexes comprised of Fischerella transcription factor HetR with Anabaena DNA targets. Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
5BKH
| |
8RYZ
| Structures of selenoneine synthase SenA from Variovorax paradoxus | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, GLYCEROL, IMIDAZOLE, ... | Authors: | Ma, Y.Y, Gao, Y, Xu, S.H. | Deposit date: | 2024-02-11 | Release date: | 2024-09-11 | Last modified: | 2024-09-18 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Structures of SenB and SenA enzymes from Variovorax paradoxus provide insights into carbon-selenium bond formation in selenoneine biosynthesis. Heliyon, 10, 2024
|
|
8RZ3
| Structures of Se- glycosyltransferase SenB from Variovorax paradoxus | Descriptor: | TIGR04348 family glycosyltransferase, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE | Authors: | Ma, Y.Y, Gao, Y, Xu, S.H. | Deposit date: | 2024-02-12 | Release date: | 2024-09-11 | Last modified: | 2024-09-18 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structures of SenB and SenA enzymes from Variovorax paradoxus provide insights into carbon-selenium bond formation in selenoneine biosynthesis. Heliyon, 10, 2024
|
|
8C3W
| Crystal structure of a computationally designed heme binding protein, dnHEM1 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Ortmayer, M, Levy, C. | Deposit date: | 2022-12-29 | Release date: | 2023-07-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Design of Heme Enzymes with a Tunable Substrate Binding Pocket Adjacent to an Open Metal Coordination Site. J.Am.Chem.Soc., 145, 2023
|
|
6J2W
| The structure of OBA3-OTA complex | Descriptor: | DNA (5'-D(*CP*GP*GP*GP*GP*CP*GP*AP*AP*GP*CP*GP*GP*GP*TP*CP*CP*CP*G)-3'), N-[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl]-D-phenylalanine | Authors: | Xu, G.H, Li, C.G. | Deposit date: | 2019-01-03 | Release date: | 2019-02-27 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure-guided post-SELEX optimization of an ochratoxin A aptamer. Nucleic Acids Res., 47, 2019
|
|
3DY7
| X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with ligand and MgATP | Descriptor: | (5S)-4,5-difluoro-6-[(2-fluoro-4-iodophenyl)imino]-N-(2-hydroxyethoxy)cyclohexa-1,3-diene-1-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ... | Authors: | Ohren, J.F, Pavlovsky, A, Zhang, E. | Deposit date: | 2008-07-25 | Release date: | 2009-06-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Beyond the MEK-pocket: can current MEK kinase inhibitors be utilized to synthesize novel type III NCKIs? Does the MEK-pocket exist in kinases other than MEK? Bioorg.Med.Chem.Lett., 19, 2009
|
|
7UO0
| E.coli RNaseP Holoenzyme with Mg2+ | Descriptor: | CALCIUM ION, Precursor tRNA substrate G(-1) G(-2), RNase P RNA, ... | Authors: | Huang, W, Taylor, D.J. | Deposit date: | 2022-04-12 | Release date: | 2022-09-28 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural and mechanistic basis for recognition of alternative tRNA precursor substrates by bacterial ribonuclease P. Nat Commun, 13, 2022
|
|
7UO1
| E.coli RNaseP Holoenzyme with Mg2+ | Descriptor: | CALCIUM ION, E.coli RNase P RNA, Precursor tRNA substrate U(-1) and A(-2), ... | Authors: | Huang, W, Taylor, D.J. | Deposit date: | 2022-04-12 | Release date: | 2022-09-28 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural and mechanistic basis for recognition of alternative tRNA precursor substrates by bacterial ribonuclease P. Nat Commun, 13, 2022
|
|
7UO2
| E.coli RNaseP Holoenzyme with Mg2+ | Descriptor: | MAGNESIUM ION, RNase P RNA, Ribonuclease P protein component | Authors: | Huang, W, Taylor, D.J. | Deposit date: | 2022-04-12 | Release date: | 2022-09-28 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural and mechanistic basis for recognition of alternative tRNA precursor substrates by bacterial ribonuclease P. Nat Commun, 13, 2022
|
|
7UO5
| E.coli RNaseP Holoenzyme with Mg2+ | Descriptor: | CALCIUM ION, RNase P RNA, Ribonuclease P protein component | Authors: | Huang, W, Taylor, D.J. | Deposit date: | 2022-04-12 | Release date: | 2022-09-28 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural and mechanistic basis for recognition of alternative tRNA precursor substrates by bacterial ribonuclease P. Nat Commun, 13, 2022
|
|
5B25
| Crystal structure of human PDE1B with inhibitor 3 | Descriptor: | (11R,15S)-4-{[4-(6-fluoropyridin-2-yl)phenyl]methyl}-8-methyl-5-(phenylamino)-1,3,4,8,10-pentaazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one, Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, GLYCEROL, ... | Authors: | Ida, K, Lane, W, Snell, G, Sogabe, S. | Deposit date: | 2016-01-07 | Release date: | 2016-02-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of Potent and Selective Inhibitors of Phosphodiesterase 1 for the Treatment of Cognitive Impairment Associated with Neurodegenerative and Neuropsychiatric Diseases J.Med.Chem., 59, 2016
|
|