6AFI
| DJ-1 with compound 11 | Descriptor: | 1-ethylindole-2,3-dione, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1 | Authors: | Caaveiro, J.M.M, Tashiro, S, Tsumoto, K. | Deposit date: | 2018-08-08 | Release date: | 2018-08-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1. ACS Chem. Biol., 13, 2018
|
|
3NSS
| The 2009 pandemic H1N1 neuraminidase N1 lacks the 150-cavity in its active sites | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ... | Authors: | Li, Q, Qi, J.X, Zhang, W, Vavricka, C.J, Shi, Y, Gao, G.F. | Deposit date: | 2010-07-02 | Release date: | 2010-09-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.902 Å) | Cite: | The 2009 pandemic H1N1 neuraminidase N1 lacks the 150-cavity in its active site Nat.Struct.Mol.Biol., 17, 2010
|
|
1RKN
| Solution structure of 1-110 fragment of Staphylococcal Nuclease with G88W mutation | Descriptor: | Thermonuclease | Authors: | Liu, D.S, Feng, Y.G, Ye, K.Q, Shan, L, Wang, J.F. | Deposit date: | 2003-11-22 | Release date: | 2004-12-07 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Folding stability and cooperativity of the three forms of 1-110 residues fragment of staphylococcal nuclease Biophys.J., 92, 2007
|
|
1TFB
| |
2YEX
| Synthesis and evaluation of triazolones as checkpoint kinase 1 inhibitors | Descriptor: | 5-METHYL-8-(1H-PYRROL-2-YL)[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1(2H)-ONE, GLYCEROL, SERINE/THREONINE-PROTEIN KINASE CHK1, ... | Authors: | Read, J.A, Breed, J, Haye, H, McCall, E, Vallentine, A, White, A. | Deposit date: | 2011-03-31 | Release date: | 2012-03-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Synthesis and Evaluation of Triazolones as Checkpoint Kinase 1 Inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
|
|
2YER
| Synthesis and evaluation of triazolones as checkpoint kinase 1 inhibitors | Descriptor: | 1,2-ETHANEDIOL, 5-(HYDROXYMETHYL)-8-(1H-PYRROL-2-YL)-2H-[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1-ONE, SERINE/THREONINE-PROTEIN KINASE CHK1, ... | Authors: | Read, J.A, Breed, J, Haye, H, McCall, E, Vallentine, A, White, A, Otterbein, L. | Deposit date: | 2011-03-30 | Release date: | 2012-03-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Synthesis and Evaluation of Triazolones as Checkpoint Kinase 1 Inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
|
|
3H42
| Crystal structure of PCSK9 in complex with Fab from LDLR competitive antibody | Descriptor: | Fab from LDLR competitive antibody: Heavy chain, Fab from LDLR competitive antibody: Light chain, Proprotein convertase subtilisin/kexin type 9, ... | Authors: | Piper, D.E, Walker, N.P.C, Romanow, W.G, Thibault, S.T, Tsai, M.M, Yang, E. | Deposit date: | 2009-04-17 | Release date: | 2009-05-05 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | From the Cover: A proprotein convertase subtilisin/kexin type 9 neutralizing antibody reduces serum cholesterol in mice and nonhuman primates. Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
6ONY
| BRD2_Bromodomain1 complex with inhibitor 744 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 2, N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide | Authors: | Longenecker, K.L, Bigelow, L. | Deposit date: | 2019-04-22 | Release date: | 2020-01-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Selective inhibition of the BD2 bromodomain of BET proteins in prostate cancer. Nature, 578, 2020
|
|
5WYH
| Crystal structure of RidL(1-200) complexed with VPS29 | Descriptor: | GLYCEROL, Interaptin, Vacuolar protein sorting-associated protein 29 | Authors: | Yao, J, Sun, Q, Jia, D. | Deposit date: | 2017-01-13 | Release date: | 2018-01-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Mechanism of inhibition of retromer transport by the bacterial effector RidL. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
2YDJ
| Discovery of Checkpoint Kinase Inhibitor AZD7762 by Structure Based Design and Optimization of Thiophene Carboxamide Ureas | Descriptor: | 5-(3-fluorophenyl)-N-[(3S)-3-piperidyl]-3-ureido-thiophene-2-carboxamide, PHOSPHATE ION, SERINE/THREONINE-PROTEIN KINASE CHK1 | Authors: | Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A. | Deposit date: | 2011-03-22 | Release date: | 2012-01-25 | Last modified: | 2019-04-03 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery of Checkpoint Kinase Inhibitor (S)-5-(3-Fluorophenyl)-N-(Piperidin-3-Yl)-3-Ureidothiophene-2-Carboxamide (Azd7762) by Structure-Based Design and Optimization of Thiophenecarboxamide Ureas. J.Med.Chem., 55, 2012
|
|
2YDK
| Discovery of Checkpoint Kinase Inhibitor AZD7762 by Structure Based Design and Optimization of Thiophene Carboxamide Ureas | Descriptor: | 2-(CARBAMOYLAMINO)-5-PHENYL-N-[(3S)-PIPERIDIN-3-YL]THIOPHENE-3-CARBOXAMIDE, GLYCEROL, SERINE/THREONINE-PROTEIN KINASE CHK1, ... | Authors: | Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A. | Deposit date: | 2011-03-22 | Release date: | 2012-04-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of Checkpoint Kinase Inhibitor (S)-5-(3-Fluorophenyl)-N-(Piperidin-3-Yl)-3-Ureidothiophene-2-Carboxamide (Azd7762) by Structure-Based Design and Optimization of Thiophenecarboxamide Ureas. J.Med.Chem., 55, 2012
|
|
6JLU
| Structure of PSII-FCP supercomplex from a centric diatom Chaetoceros gracilis at 3.02 angstrom resolution | Descriptor: | (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'-yl acetate, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ... | Authors: | Pi, X, Zhao, S, Wang, W, Kuang, T, Sui, S, Shen, J. | Deposit date: | 2019-03-06 | Release date: | 2019-07-31 | Last modified: | 2019-11-06 | Method: | ELECTRON MICROSCOPY (3.02 Å) | Cite: | The pigment-protein network of a diatom photosystem II-light-harvesting antenna supercomplex. Science, 365, 2019
|
|
8I60
| |
7F7E
| SARS-CoV-2 S protein RBD in complex with A5-10 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of A5-10 Fab, Light chain of A5-10 Fab, ... | Authors: | Dou, Y, Wang, X, Wang, K, Liu, P, Lu, B. | Deposit date: | 2021-06-29 | Release date: | 2022-02-02 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Etesevimab in combination with JS026 neutralizing SARS-CoV-2 and its variants. Emerg Microbes Infect, 11, 2022
|
|
6KKH
| Crystal structure of the oxalate bound malyl-CoA lyase from Roseiflexus castenholzii | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, HpcH/HpaI aldolase, MAGNESIUM ION, ... | Authors: | Tang, W.R, Wang, Z.G, Zhang, C.Y, Wang, C. | Deposit date: | 2019-07-25 | Release date: | 2019-09-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | The C-terminal domain conformational switch revealed by the crystal structure of malyl-CoA lyase from Roseiflexus castenholzii. Biochem.Biophys.Res.Commun., 518, 2019
|
|
6KIN
| Crystal structure of the tri-functional malyl-CoA lyase from Roseiflexus castenholzii | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, HpcH/HpaI aldolase | Authors: | Tang, W.R, Zhang, C.Y, Wang, C, Xu, X.L. | Deposit date: | 2019-07-19 | Release date: | 2019-09-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.527 Å) | Cite: | The C-terminal domain conformational switch revealed by the crystal structure of malyl-CoA lyase from Roseiflexus castenholzii. Biochem.Biophys.Res.Commun., 518, 2019
|
|
2YDI
| Discovery of Checkpoint Kinase Inhibitor AZD7762 by Structure Based Design and Optimization of Thiophene Carboxamide Ureas | Descriptor: | 5-[4-(2-DIMETHYLAMINOETHYLOXY)PHENYL]-2-UREIDO-THIOPHENE-3-CARBOXAMIDE, SERINE/THREONINE-PROTEIN KINASE CHK1, SULFATE ION | Authors: | Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A. | Deposit date: | 2011-03-21 | Release date: | 2012-04-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of Checkpoint Kinase Inhibitor (S)-5-(3-Fluorophenyl)-N-(Piperidin-3-Yl)-3-Ureidothiophene-2-Carboxamide (Azd7762) by Structure-Based Design and Optimization of Thiophenecarboxamide Ureas. J.Med.Chem., 55, 2012
|
|
5HFJ
| crystal structure of M1.HpyAVI-SAM complex | Descriptor: | Adenine specific DNA methyltransferase (DpnA), S-ADENOSYLMETHIONINE | Authors: | Ma, B, Liu, W, Zhang, H. | Deposit date: | 2016-01-07 | Release date: | 2016-11-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Biochemical and structural characterization of a DNA N6-adenine methyltransferase from Helicobacter pylori Oncotarget, 7, 2016
|
|
6AD0
| The structure of CVA10 mature virion in complex with Fab 2G8 | Descriptor: | SPHINGOSINE, VH of Fab 2G8, VL of Fab 2G8, ... | Authors: | Zhu, R, Zheng, Q.B, Xu, L.F, Cui, Y.X, Li, S.W, Yan, X.D, Zhou, Z.H, Cheng, T. | Deposit date: | 2018-07-28 | Release date: | 2018-11-21 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Discovery and structural characterization of a therapeutic antibody against coxsackievirus A10. Sci Adv, 4, 2018
|
|
8XS3
| Structure of MPXV B6 and D68 fab complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, D68_heavy chain, ... | Authors: | wu, L.L, Sun, J.Q. | Deposit date: | 2024-01-08 | Release date: | 2024-06-12 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.46 Å) | Cite: | Two noncompeting human neutralizing antibodies targeting MPXV B6 show protective effects against orthopoxvirus infections. Nat Commun, 15, 2024
|
|
8Y4U
| Crystal structure of a His1 from oryza sativa | Descriptor: | FE (III) ION, Fe(II)/2-oxoglutarate-dependent oxygenase | Authors: | Wang, N, Ma, J.M, Shibing, H, Beibei, Y, He, Z, Dandan, L. | Deposit date: | 2024-01-30 | Release date: | 2024-02-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of HPPD inhibitor sensitive protein from Oryza sativa. Biochem.Biophys.Res.Commun., 704, 2024
|
|
6ACZ
| The structure of CVA10 virus A-particle from its complex with Fab 2G8 | Descriptor: | VP1, VP2, VP3 | Authors: | Zhu, R, Zheng, Q.B, Xu, L.F, Cui, Y.X, Li, S.W, Yan, X.D, Zhou, Z.H, Cheng, T. | Deposit date: | 2018-07-28 | Release date: | 2018-11-21 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Discovery and structural characterization of a therapeutic antibody against coxsackievirus A10. Sci Adv, 4, 2018
|
|
6ACY
| The structure of CVA10 virus A-particle | Descriptor: | VP1, VP2, VP3 | Authors: | Cui, Y.X, Zheng, Q.B, Zhu, R, Xu, L.F, Li, S.W, Yan, X.D, Zhou, Z.H, Cheng, T. | Deposit date: | 2018-07-28 | Release date: | 2018-11-21 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Discovery and structural characterization of a therapeutic antibody against coxsackievirus A10. Sci Adv, 4, 2018
|
|
6KIK
| Crystal structure of a thermostable aldo-keto reductase Tm1743 in complex with inhibitor tolrestat | Descriptor: | Oxidoreductase, aldo/keto reductase family, TOLRESTAT | Authors: | Zhang, C.Y, Liu, X.M, Wang, C, Tang, W.R. | Deposit date: | 2019-07-18 | Release date: | 2019-09-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | Tolrestat acts atypically as a competitive inhibitor of the thermostable aldo-keto reductase Tm1743 from Thermotoga maritima. Febs Lett., 594, 2020
|
|
6KIY
| Crystal structure of a thermostable aldo-keto reductase Tm1743 in complex with inhibitor Epalrestat | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Oxidoreductase, aldo/keto reductase family, ... | Authors: | Zhang, C.Y, Liu, X.M, Wang, C, Min, Z.Z, Xu, X.L. | Deposit date: | 2019-07-20 | Release date: | 2019-09-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Tolrestat acts atypically as a competitive inhibitor of the thermostable aldo-keto reductase Tm1743 from Thermotoga maritima. Febs Lett., 594, 2020
|
|