1RT9
| Structure of human purine nucleoside phosphorylase in complex with Immucillin-H and sulfate | Descriptor: | 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL, Purine nucleoside phosphorylase, SULFATE ION | Authors: | Shi, W, Lewandowicz, A, Tyler, P.C, Furneaux, R.H, Almo, S.C, Schramm, V.L. | Deposit date: | 2003-12-10 | Release date: | 2005-02-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural comparison of human and malarial purine nucleoside phosphorylases To be Published
|
|
5GNK
| Crystal structure of EGFR 696-988 T790M in complex with LXX-6-34 | Descriptor: | 1,2-ETHANEDIOL, 1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one, CHLORIDE ION, ... | Authors: | Yan, X.E, Yun, C.H. | Deposit date: | 2016-07-21 | Release date: | 2017-04-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.796 Å) | Cite: | Discovery of (R)-1-(3-(4-Amino-3-(3-chloro-4-(pyridin-2-ylmethoxy)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one (CHMFL-EGFR-202) as a Novel Irreversible EGFR Mutant Kinase Inhibitor with a Distinct Binding Mode. J. Med. Chem., 60, 2017
|
|
5YU9
| Crystal structure of EGFR 696-1022 T790M in complex with Ibrutinib | Descriptor: | 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, CHLORIDE ION, Epidermal growth factor receptor | Authors: | Yan, X.E, Yun, C.H. | Deposit date: | 2017-11-21 | Release date: | 2017-12-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Ibrutinib targets mutant-EGFR kinase with a distinct binding conformation. Oncotarget, 7, 2016
|
|
2QDX
| P.Aeruginosa Fpr with FAD | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin reductase, SULFATE ION | Authors: | Han, H, Schonbrunn, E. | Deposit date: | 2007-06-21 | Release date: | 2007-10-30 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Biochemical and Structural Characterization of Pseudomonas aeruginosa Bfd and FPR: Ferredoxin NADP(+) Reductase and Not Ferredoxin Is the Redox Partner of Heme Oxygenase under Iron-Starvation Conditions Biochemistry, 46, 2007
|
|
3CRZ
| Ferredoxin-NADP Reductase | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin--NADP+ reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Han, H, Schonbrunn, E. | Deposit date: | 2008-04-08 | Release date: | 2008-10-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | X-ray crystallographic and solution state nuclear magnetic resonance spectroscopic investigations of NADP+ binding to ferredoxin NADP reductase from Pseudomonas aeruginosa Biochemistry, 47, 2008
|
|
4J5S
| TARG1 (C6orf130), Terminal ADP-ribose Glycohydrolase 1 ADP-ribose complex | Descriptor: | 1,2-ETHANEDIOL, 1,3,2-DIOXABOROLAN-2-OL, BORATE ION, ... | Authors: | Schellenberg, M.J, Appel, C.D, Krahn, J, Williams, R.S. | Deposit date: | 2013-02-09 | Release date: | 2013-03-27 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Deficiency of terminal ADP-ribose protein glycohydrolase TARG1/C6orf130 in neurodegenerative disease. Embo J., 32, 2013
|
|
4J5Q
| TARG1 (C6orf130), Terminal ADP-ribose Glycohydrolase 1, apo structure | Descriptor: | O-acetyl-ADP-ribose deacetylase 1 | Authors: | Schellenberg, M.J, Appel, C.D, Krahn, J, Williams, R.S. | Deposit date: | 2013-02-09 | Release date: | 2013-03-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Deficiency of terminal ADP-ribose protein glycohydrolase TARG1/C6orf130 in neurodegenerative disease. Embo J., 32, 2013
|
|
4J5R
| TARG1 (C6orf130), Terminal ADP-ribose Glycohydrolase 1 bound to ADP-HPD | Descriptor: | 1,2-ETHANEDIOL, 5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-DIHYDROXYPYRROLIDIN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]ADENOSINE, CHLORIDE ION, ... | Authors: | Schellenberg, M.J, Appel, C.D, Krahn, J, Williams, R.S. | Deposit date: | 2013-02-09 | Release date: | 2013-03-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Deficiency of terminal ADP-ribose protein glycohydrolase TARG1/C6orf130 in neurodegenerative disease. Embo J., 32, 2013
|
|
7N82
| NMR Solution structure of Se0862 | Descriptor: | Biofilm-related protein | Authors: | Zhang, N, LiWang, A.L. | Deposit date: | 2021-06-11 | Release date: | 2021-07-14 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Assessment of prediction methods for protein structures determined by NMR in CASP14: Impact of AlphaFold2. Proteins, 89, 2021
|
|
7T79
| |
7T78
| |
4WD5
| Crystal structure of EGFR 696-1022 T790M in complex with QL-X138 | Descriptor: | CHLORIDE ION, Epidermal growth factor receptor, N-{2-methyl-5-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1(2H)-yl]phenyl}propanamide | Authors: | Yun, C.H, Eck, M.J. | Deposit date: | 2014-09-07 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Crystal structure of EGFR 696-1022 T790M in complex with QL-X138 To Be Published
|
|
8ZBQ
| Local map of Omicron Subvariant JN.1 RBD with ACE2 | Descriptor: | Angiotensin-converting enzyme 2, Spike protein S2' | Authors: | Yan, R.H, Yang, H.N. | Deposit date: | 2024-04-27 | Release date: | 2024-09-18 | Last modified: | 2024-09-25 | Method: | ELECTRON MICROSCOPY (3.03 Å) | Cite: | Structural basis for the evolution and antibody evasion of SARS-CoV-2 BA.2.86 and JN.1 subvariants. Nat Commun, 15, 2024
|
|
9DHH
| DHODH in complex with Compound 8 | Descriptor: | (3S,7P)-7-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-6-fluoro-3-(2-methylphenyl)-1-(propan-2-yl)-2,3-dihydroquinolin-4(1H)-one, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Shaffer, P.L. | Deposit date: | 2024-09-03 | Release date: | 2024-10-09 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Identification of isoquinolinone DHODH inhibitor isosteres. Bioorg.Med.Chem.Lett., 113, 2024
|
|
9DHG
| DHODH in complex with Compound 5 | Descriptor: | (3P,7P)-7-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-6-fluoro-3-(2-methylphenyl)-1-(propan-2-yl)quinolin-4(1H)-one, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Shaffer, P.L. | Deposit date: | 2024-09-03 | Release date: | 2024-10-09 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.386 Å) | Cite: | Identification of isoquinolinone DHODH inhibitor isosteres. Bioorg.Med.Chem.Lett., 113, 2024
|
|
9DHI
| DHODH in complex with Compound 7 | Descriptor: | (2M,6P)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-2-(2-methylphenyl)-4-(propan-2-yl)phthalazin-1(2H)-one, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Shaffer, P.L. | Deposit date: | 2024-09-03 | Release date: | 2024-10-09 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Identification of isoquinolinone DHODH inhibitor isosteres. Bioorg.Med.Chem.Lett., 113, 2024
|
|
9DHJ
| DHODH in complex with Compound 15 | Descriptor: | (2M,6P)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-2-(2-methylphenyl)-4-[(2R)-1,1,1-trifluoropropan-2-yl]phthalazin-1(2H)-one, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Shaffer, P.L. | Deposit date: | 2024-09-03 | Release date: | 2024-10-09 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Identification of isoquinolinone DHODH inhibitor isosteres. Bioorg.Med.Chem.Lett., 113, 2024
|
|
7YSP
| |
7YSN
| Tubulin heterodimer structure of GMPCPP state in solution | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, Tubulin alpha-1B chain, ... | Authors: | Zhou, J, Wang, H.-W. | Deposit date: | 2022-08-12 | Release date: | 2023-10-18 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structural insights into the mechanism of GTP initiation of microtubule assembly. Nat Commun, 14, 2023
|
|
7YSQ
| GTPgammaS Tube decorated with kinesin | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Tubulin alpha chain, ... | Authors: | Zhou, J, Wang, H.-W. | Deposit date: | 2022-08-12 | Release date: | 2023-10-18 | Method: | ELECTRON MICROSCOPY (6.8 Å) | Cite: | Structural insights into the mechanism of GTP initiation of microtubule assembly. Nat Commun, 14, 2023
|
|
7YSO
| |
7YSR
| GTPgammaS MT decorated with kinesin | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Tubulin alpha chain, ... | Authors: | Zhou, J, Wang, H.-W. | Deposit date: | 2022-08-12 | Release date: | 2023-10-18 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Structural insights into the mechanism of GTP initiation of microtubule assembly. Nat Commun, 14, 2023
|
|
8HB9
| Crystal Structure of Human IDH1 R132H Mutant in Complex with NADPH and Compound IHMT-IDH1-053 | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Isocitrate dehydrogenase [NADP] cytoplasmic, ... | Authors: | Guo, G, Wang, B, Liu, J, Liu, Q. | Deposit date: | 2022-10-27 | Release date: | 2023-05-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-based discovery of IHMT-IDH1-053 as a potent irreversible IDH1 mutant selective inhibitor. Eur.J.Med.Chem., 256, 2023
|
|
8VVK
| CCHFV GP38 bound to ADI-46143 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADI-46143 Fab Heavy Chain, ADI-46143 Fab Light Chain, ... | Authors: | Hjorth, C.K, McLellan, J.S. | Deposit date: | 2024-01-31 | Release date: | 2024-07-17 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Crimean-Congo hemorrhagic fever survivors elicit protective non-neutralizing antibodies that target 11 overlapping regions on glycoprotein GP38. Cell Rep, 43, 2024
|
|
8VVL
| CCHFV GP38 bound to c13G8 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Hjorth, C.K, Mishra, A.K, McLellan, J.S. | Deposit date: | 2024-01-31 | Release date: | 2024-07-17 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crimean-Congo hemorrhagic fever survivors elicit protective non-neutralizing antibodies that target 11 overlapping regions on glycoprotein GP38. Cell Rep, 43, 2024
|
|