5NT7
 
 | |
8A5M
 | | TRIM7 PRYSPRY in complex with a MNV1-NS6 peptide LEALEFQ | | Descriptor: | E3 ubiquitin-protein ligase TRIM7, MNV1-NS6 peptide LEALEFQ, PHOSPHATE ION | | Authors: | Luptak, J. | | Deposit date: | 2022-06-15 | | Release date: | 2022-07-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.918 Å) | | Cite: | TRIM7 Restricts Coxsackievirus and Norovirus Infection by Detecting the C-Terminal Glutamine Generated by 3C Protease Processing.
Viruses, 14, 2022
|
|
5OU0
 | | Crystal structure of human AKR1B1 complexed with NADP+ and compound 37 | | Descriptor: | 2-[5-(4-chlorophenyl)-3-methyl-1-oxidanylidene-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Metwally, K, Podjarny, A. | | Deposit date: | 2017-08-23 | | Release date: | 2018-05-09 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (0.94 Å) | | Cite: | Design, synthesis, structure-activity relationships and X-ray structural studies of novel 1-oxopyrimido[4,5-c]quinoline-2-acetic acid derivatives as selective and potent inhibitors of human aldose reductase.
Eur J Med Chem, 152, 2018
|
|
2WQL
 | | CRYSTAL STRUCTURE OF THE MAJOR CARROT ALLERGEN DAU C 1 | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, MAJOR ALLERGEN DAU C 1, ... | | Authors: | Markovic-Housley, Z, Basle, A, Padavattan, S, Hoffmann-Sommergruber, K, Schirmer, T. | | Deposit date: | 2009-08-24 | | Release date: | 2009-09-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of the Major Carrot Allergen Dau C 1.
Acta Crystallogr.,Sect.D, 65, 2009
|
|
7Y4T
 | | Crystal structure of cMET kinase domain bound by compound 9I | | Descriptor: | 2-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-(3-nitrophenyl)pyridazin-3-one, Hepatocyte growth factor receptor | | Authors: | Qu, L.Z, Chen, Y.H. | | Deposit date: | 2022-06-16 | | Release date: | 2022-11-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Discovery of D6808, a Highly Selective and Potent Macrocyclic c-Met Inhibitor for Gastric Cancer Harboring MET Gene Alteration Treatment.
J.Med.Chem., 65, 2022
|
|
7Y4U
 | | Crystal structure of cMET kinase domain bound by compound 9Y | | Descriptor: | Hepatocyte growth factor receptor, ~{N}-methyl-4-[1-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-oxidanylidene-pyridazin-3-yl]-2-(trifluoromethyl)benzamide | | Authors: | Qu, L.Z, Chen, Y.H. | | Deposit date: | 2022-06-16 | | Release date: | 2022-11-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Discovery of D6808, a Highly Selective and Potent Macrocyclic c-Met Inhibitor for Gastric Cancer Harboring MET Gene Alteration Treatment.
J.Med.Chem., 65, 2022
|
|
5YZG
 | | The Cryo-EM Structure of Human Catalytic Step I Spliceosome (C complex) at 4.1 angstrom resolution | | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Zhan, X, Yan, C, Zhang, X, Lei, J, Shi, Y. | | Deposit date: | 2017-12-14 | | Release date: | 2018-08-08 | | Last modified: | 2020-10-14 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Structure of a human catalytic step I spliceosome
Science, 359, 2018
|
|
4ASX
 | | Crystal structure of Activin receptor type-IIA (ACVR2A) kinase domain in complex with dihydro-Bauerine C | | Descriptor: | 1,2-ETHANEDIOL, 7,8-bis(chloranyl)-9-methyl-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one, ACTIVIN RECEPTOR TYPE-2A | | Authors: | Williams, E, Chaikuad, A, Canning, P, Kochan, G, Mahajan, P, Cooper, C.D.O, Beltrami, A, Krojer, T, Pohl, B, Bracher, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Bullock, A. | | Deposit date: | 2012-05-03 | | Release date: | 2012-05-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal Structure of Activin Receptor Type-Iia (Acvr2A) Kinase Domain in Complex with a Beta- Carboline Inhibitor
To be Published
|
|
6E1C
 | |
1O8F
 | |
7K6D
 | | SARS-CoV-2 Main Protease Co-Crystal Structure with Telaprevir Determined from Crystals Grown with 40 nL Acoustically Ejected Mpro Droplets at 1.48 A Resolution (Cryo-protected) | | Descriptor: | (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | Kreitler, D.F, Andi, B, Kumaran, D, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | | Deposit date: | 2020-09-19 | | Release date: | 2020-09-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
|
|
5IR6
 | | The structure of bd oxidase from Geobacillus thermodenitrificans | | Descriptor: | Bd-type quinol oxidase subunit I, Bd-type quinol oxidase subunit II, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, ... | | Authors: | Safarian, S, Mueller, H, Rajendran, C, Preu, J, Ovchinnikov, S, Kusumoto, T, Hirose, T, Langer, J, Sakamoto, J, Michel, H. | | Deposit date: | 2016-03-12 | | Release date: | 2016-05-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Structure of a bd oxidase indicates similar mechanisms for membrane-integrated oxygen reductases.
Science, 352, 2016
|
|
6E3F
 | |
1C86
 | | CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B (R47V,D48N) COMPLEXED WITH 2-(OXALYL-AMINO-4,7-DIHYDRO-5H-THIENO[2,3-C]PYRAN-3-CARBOXYLIC ACID | | Descriptor: | 2-(OXALYL-AMINO)-4,7-DIHYDRO-5H-THIENO[2,3-C]PYRAN-3-CARBOXYLIC ACID, PROTEIN (PROTEIN-TYROSINE PHOSPHATASE 1B) | | Authors: | Iversen, L.F, Andersen, H.S, Mortensen, S.B, Moller, N.P. | | Deposit date: | 2000-04-16 | | Release date: | 2000-05-03 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-based design of a low molecular weight, nonphosphorus, nonpeptide, and highly selective inhibitor of protein-tyrosine phosphatase 1B.
J.Biol.Chem., 275, 2000
|
|
4PA6
 | | Structure of NavMS pore and C-terminal domain crystallised in the presence of channel blocking compound | | Descriptor: | DODECAETHYLENE GLYCOL, HEGA-10, Ion transport protein, ... | | Authors: | Naylor, C.E, Bagneris, C, Wallace, B.A. | | Deposit date: | 2014-04-07 | | Release date: | 2014-06-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.36 Å) | | Cite: | Prokaryotic NavMs channel as a structural and functional model for eukaryotic sodium channel antagonism.
Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
6ROA
 | | Crystal structure of V57G mutant of human cystatin C | | Descriptor: | Cystatin-C | | Authors: | Orlikowska, M, Behrendt, I, Borek, D, Otwinowski, Z, Skowron, P, Szymanska, A. | | Deposit date: | 2019-05-10 | | Release date: | 2019-08-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | NMR and crystallographic structural studies of the extremely stable monomeric variant of human cystatin C with single amino acid substitution.
Febs J., 287, 2020
|
|
6M5Z
 | | Catalytic domain of GH30 xylanase C from Talaromyces cellulolyticus | | Descriptor: | ACETATE ION, GH30 Xylanase C, GLYCEROL, ... | | Authors: | Nakamichi, Y, Watanabe, M, Inoue, H. | | Deposit date: | 2020-03-12 | | Release date: | 2021-01-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structure of GH30-7 endoxylanase C from the filamentous fungus Talaromyces cellulolyticus.
Acta Crystallogr.,Sect.F, 76, 2020
|
|
5ITH
 | |
6MFT
 | | Crystal structure of glycosylated 426c HIV-1 gp120 core G459C in complex with glVRC01 A60C heavy chain | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Weidle, C, Pancera, M, Stamatatos, L, Gray, M. | | Deposit date: | 2018-09-12 | | Release date: | 2018-11-14 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.315 Å) | | Cite: | Germline VRC01 antibody recognition of a modified clade C HIV-1 envelope trimer and a glycosylated HIV-1 gp120 core.
Elife, 7, 2018
|
|
5IVX
 | | Crystal Structure of B4.2.3 T-Cell Receptor and H2-Dd P18-I10 Complex | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ... | | Authors: | Natarajan, K, Jiang, J, Margulies, D. | | Deposit date: | 2016-03-21 | | Release date: | 2017-03-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | An allosteric site in the T-cell receptor C beta domain plays a critical signalling role.
Nat Commun, 8, 2017
|
|
6LOE
 | | Cryo-EM structure of the dithionite-reduced photosynthetic alternative complex III from Roseiflexus castenholzii | | Descriptor: | Cytochrome c domain-containing protein, FE3-S4 CLUSTER, Fe-S-cluster-containing hydrogenase components 1-like protein, ... | | Authors: | Shi, Y, Xin, Y.Y, Wang, C, Blankenship, R.E, Sun, F, Xu, X.L. | | Deposit date: | 2020-01-05 | | Release date: | 2020-11-04 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Cryo-EM structures of the air-oxidized and dithionite-reduced photosynthetic alternative complex III from Roseiflexus castenholzii .
Sci Adv, 6, 2020
|
|
3IDB
 | | Crystal structure of (108-268)RIIb:C holoenzyme of cAMP-dependent protein kinase | | Descriptor: | MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, cAMP-dependent protein kinase catalytic subunit alpha, ... | | Authors: | Brown, S.H.J, Wu, J, Kim, C, Alberto, K, Taylor, S.S. | | Deposit date: | 2009-07-20 | | Release date: | 2009-09-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Novel isoform-specific interfaces revealed by PKA RIIbeta holoenzyme structures.
J.Mol.Biol., 393, 2009
|
|
7K6E
 | | SARS-CoV-2 Main Protease Co-Crystal Structure with Telaprevir Determined from Crystals Grown with 40 nL Acoustically Ejected Mpro Droplets at 1.63 A Resolution (Direct Vitrification) | | Descriptor: | (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | Kreitler, D.F, Andi, B, Kumaran, D, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | | Deposit date: | 2020-09-19 | | Release date: | 2020-09-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
|
|
1AOD
 | | PHOSPHATIDYLINOSITOL-SPECIFIC PHOSPHOLIPASE C FROM LISTERIA MONOCYTOGENES | | Descriptor: | 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, PHOSPHATIDYLINOSITOL-SPECIFIC PHOSPHOLIPASE C | | Authors: | Heinz, D.W, Moser, J. | | Deposit date: | 1997-07-02 | | Release date: | 1998-01-07 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of the phosphatidylinositol-specific phospholipase C from the human pathogen Listeria monocytogenes.
J.Mol.Biol., 273, 1997
|
|
4PA7
 | | Structure of NavMS pore and C-terminal domain crystallised in presence of channel blocking compound | | Descriptor: | DODECAETHYLENE GLYCOL, HEGA-10, Ion transport protein, ... | | Authors: | Naylor, C.E, Bagneris, C, Wallace, B.A. | | Deposit date: | 2014-04-07 | | Release date: | 2014-06-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.02 Å) | | Cite: | Prokaryotic NavMs channel as a structural and functional model for eukaryotic sodium channel antagonism.
Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
