6VSO
| DengueV-2 Capsid Structure | Descriptor: | Capsid premembrane protein, GLYCEROL, NITRATE ION | Authors: | White, M, Xia, H, Shi, P. | Deposit date: | 2020-02-11 | Release date: | 2020-07-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.001 Å) | Cite: | A cocrystal structure of dengue capsid protein in complex of inhibitor. Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
4BNE
| Pacsin2 Interacts with Membranes and Actin-Filaments | Descriptor: | PROTEIN KINASE C AND CASEIN KINASE SUBSTRATE IN NEURONS PROTEIN 2, SULFATE ION, TRIETHYLENE GLYCOL | Authors: | Kostan, J, Salzer, U, Orlova, A, Toeroe, I, Hodnik, V, Schreiner, C, Merilainen, J, Nikki, M, Virtanen, I, Lehto, V.-P, Anderluh, G, Egelman, E.H, Djinovic-Carugo, K. | Deposit date: | 2013-05-15 | Release date: | 2014-05-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Direct Interaction of Actin Filaments with F-Bar Protein Pacsin2. Embo Rep., 15, 2014
|
|
5MG3
| EM fitted model of bacterial holo-translocon | Descriptor: | Membrane protein insertase YidC, Protein translocase subunit SecD, Protein translocase subunit SecE, ... | Authors: | Schaffitzel, C, Botte, M. | Deposit date: | 2016-11-20 | Release date: | 2016-12-28 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (14 Å) | Cite: | A central cavity within the holo-translocon suggests a mechanism for membrane protein insertion. Sci Rep, 6, 2016
|
|
5M4S
| Transcription factor TFIIA as a single chain protein | Descriptor: | Transcription initiation factor IIA subunit 2,Transcription initiation factor IIA subunit 1,Transcription initiation factor IIA subunit 1 | Authors: | Kandiah, E, Gupta, K. | Deposit date: | 2016-10-19 | Release date: | 2017-11-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Architecture of TAF11/TAF13/TBP complex suggests novel regulation properties of general transcription factor TFIID. Elife, 6, 2017
|
|
5G2O
| Yersinia pestis FabV variant T276A | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DIMETHYL SULFOXIDE, Enoyl-[acyl-carrier-protein] reductase [NADH] | Authors: | Pschibul, A, Kuper, J, HIrschbeck, M, Kisker, C. | Deposit date: | 2016-04-11 | Release date: | 2016-05-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia Pestis Fabv Enoyl-Acp Reductase. Biochemistry, 55, 2016
|
|
8K4F
| DHODH in complex with compound A0 | Descriptor: | 5-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-4-amine, 6-[bis(oxidanyl)methyl]-5~{H}-pyrimidine-2,4-dione, ACETATE ION, ... | Authors: | Jian, L, Sun, Q. | Deposit date: | 2023-07-18 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Discovery and Optimization of Novel h DHODH Inhibitors for the Treatment of Inflammatory Bowel Disease. J.Med.Chem., 66, 2023
|
|
3B8I
| |
2DQ5
| solution structure of the Mid1 B Box2 Chc(D/C)C2H2 Zinc-Binding Domain: insights into an evolutionary conserved ring fold | Descriptor: | Midline-1, ZINC ION | Authors: | Massiah, M.A, Matts, J.A.B, Short, K.M, Simmons, B.N, Singireddy, S, Zou, J, Cox, T.C. | Deposit date: | 2006-05-20 | Release date: | 2007-04-03 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution Structure of the MID1 B-box2 CHC(D/C)C(2)H(2) Zinc-binding Domain: Insights into an Evolutionarily Conserved RING Fold J.Mol.Biol., 369, 2007
|
|
6AR4
| Crystal structure of PICK1 in complex with the small molecule inhibitor 1o | Descriptor: | N-[4-(4-bromophenyl)-1-{[2-(trifluoromethyl)phenyl]methyl}piperidine-4-carbonyl]-3-cyclopropyl-L-alanine, PRKCA-binding protein | Authors: | Marcotte, D. | Deposit date: | 2017-08-21 | Release date: | 2018-08-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Potent PDZ-Domain PICK1 Inhibitors that Modulate Amyloid Beta-Mediated Synaptic Dysfunction. Sci Rep, 8, 2018
|
|
8UF5
| Catalytic domain of GtfB in complex with inhibitor G43 | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | Authors: | Schormann, N, Deivanayagam, C, Velu, S. | Deposit date: | 2023-10-03 | Release date: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-Based Discovery of Small Molecule Inhibitors of Cariogenic Virulence. Sci Rep, 7, 2017
|
|
4BKQ
| Enoyl-ACP reductase from Yersinia pestis (wildtype)with cofactor NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, PUTATIVE REDUCTASE YPZ3_3519 | Authors: | Hirschbeck, M.W, Neckles, C, Tonge, P.J, Kisker, C. | Deposit date: | 2013-04-29 | Release date: | 2014-05-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia Pestis Fabv Enoyl-Acp Reductase. Biochemistry, 55, 2016
|
|
4BKR
| Enoyl-ACP reductase from Yersinia pestis (wildtype, removed Histag) with cofactor NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Hirschbeck, M.W, Neckles, C, Tonge, P.J, Kisker, C. | Deposit date: | 2013-04-29 | Release date: | 2014-05-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.798 Å) | Cite: | Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia Pestis Fabv Enoyl-Acp Reductase. Biochemistry, 55, 2016
|
|
7EN9
| Crystal structure of SARS-CoV-2 3CLpro in complex with the non-covalent inhibitor WU-02 | Descriptor: | 3C-like proteinase, 5-bromanyl-~{N}-methyl-3-nitro-2-[(4~{R},5~{S})-2-(7-oxidanylisoquinolin-4-yl)carbonyl-4-phenyl-2,7-diazaspiro[4.4]nonan-7-yl]benzamide | Authors: | Hou, N, Peng, C, Hu, Q. | Deposit date: | 2021-04-16 | Release date: | 2022-07-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro. Acs Cent.Sci., 9, 2023
|
|
7END
| |
7EN8
| Crystal structure of SARS-CoV-2 3CLpro in complex with the non-covalent inhibitor WU-04 | Descriptor: | 3C-like proteinase, GLYCEROL, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide | Authors: | Hou, N, Peng, C, Hu, Q. | Deposit date: | 2021-04-16 | Release date: | 2022-07-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro. Acs Cent.Sci., 9, 2023
|
|
7ENE
| |
7D9M
| grass carp interleukin-2 | Descriptor: | Interleukin | Authors: | Junya, w, Jun, z. | Deposit date: | 2020-10-13 | Release date: | 2020-10-28 | Last modified: | 2020-11-11 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Structural insights into the co-evolution of IL-2 and its private receptor in fish. Dev.Comp.Immunol., 115, 2020
|
|
7WPV
| Fab14 - a SARS-CoV2 RBD neutralising antibody | Descriptor: | Fab14 heavy chain, Fab14 light chain | Authors: | Lin, J.Q, El Sahili, A, Lescar, J. | Deposit date: | 2022-01-24 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Engineering SARS-CoV-2 specific cocktail antibodies into a bispecific format improves neutralizing potency and breadth. Nat Commun, 13, 2022
|
|
7WPH
| SARS-CoV2 RBD bound to Fab06 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FAB06 light chain, Fab06 heavy chain, ... | Authors: | Lin, J.Q, El Sahili, A, Lescar, J. | Deposit date: | 2022-01-23 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Engineering SARS-CoV-2 specific cocktail antibodies into a bispecific format improves neutralizing potency and breadth. Nat Commun, 13, 2022
|
|
7XXL
| RBD in complex with Fab14 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab14 heavy chain, Fab14 light chain, ... | Authors: | Lin, J.Q, Tan, Y.J.E, Wu, B, Lescar, J. | Deposit date: | 2022-05-30 | Release date: | 2022-09-14 | Last modified: | 2022-10-05 | Method: | ELECTRON MICROSCOPY (7.3 Å) | Cite: | Engineering SARS-CoV-2 specific cocktail antibodies into a bispecific format improves neutralizing potency and breadth. Nat Commun, 13, 2022
|
|
3OHI
| Structure of Giardia fructose-1,6-biphosphate aldolase in complex with 3-hydroxy-2-pyridone | Descriptor: | ({3-hydroxy-2-oxo-4-[2-(phosphonooxy)ethyl]pyridin-1(2H)-yl}methyl)phosphonic acid, Putative fructose-1,6-bisphosphate aldolase, ZINC ION | Authors: | Herzberg, O, Galkin, A. | Deposit date: | 2010-08-17 | Release date: | 2011-01-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Rational design, synthesis and evaluation of first generation inhibitors of the Giardia lamblia fructose-1,6-biphosphate aldolase. J.Inorg.Biochem., 105, 2010
|
|
7FEE
| Crystal structure of the allosteric modulator ZCZ011 binding to CP55940-bound cannabinoid receptor 1 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol, 6-methyl-3-[(1S)-2-nitro-1-thiophen-2-yl-ethyl]-2-phenyl-1H-indole, ... | Authors: | Wang, X, Zhao, C, Shao, Z. | Deposit date: | 2021-07-19 | Release date: | 2022-06-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Molecular mechanism of allosteric modulation for the cannabinoid receptor CB1. Nat.Chem.Biol., 18, 2022
|
|
7WV9
| Allosteric modulator ZCZ011 binding to CP55940-bound cannabinoid receptor 1 in complex with Gi protein | Descriptor: | 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol, 6-methyl-3-[(1S)-2-nitro-1-thiophen-2-yl-ethyl]-2-phenyl-1H-indole, Cannabinoid receptor 1, ... | Authors: | Xu, Z, Shao, Z. | Deposit date: | 2022-02-10 | Release date: | 2022-06-15 | Last modified: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (3.36 Å) | Cite: | Molecular mechanism of allosteric modulation for the cannabinoid receptor CB1. Nat.Chem.Biol., 18, 2022
|
|
7WZ5
| Larimichthys crocea IFNi | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Interferon C | Authors: | Chen, J.J. | Deposit date: | 2022-02-17 | Release date: | 2023-02-08 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Molecular and Structural Basis of Receptor Binding and Signaling of a Fish Type I IFN with Three Disulfide Bonds. J Immunol., 209, 2022
|
|
7Y4I
| Crystal structure of SPINDLY in complex with GDP | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Probable UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase SPINDLY | Authors: | Xu, S.T, Wan, L.H. | Deposit date: | 2022-06-14 | Release date: | 2022-12-07 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structural insights into mechanism and specificity of the plant protein O-fucosyltransferase SPINDLY. Nat Commun, 13, 2022
|
|