6TUZ
| Theophylline-Notum complex | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | Zhao, Y, Jones, E.Y. | Deposit date: | 2020-01-08 | Release date: | 2020-10-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Caffeine inhibits Notum activity by binding at the catalytic pocket. Commun Biol, 3, 2020
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5XP0
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1RJI
| Solution Structure of BmKX, a novel potassium channel blocker from the Chinese Scorpion Buthus martensi Karsch | Descriptor: | potassium channel toxin KX | Authors: | Cai, Z, Wu, J, Xu, Y, Wang, C.-G, Chi, C.-W, Shi, Y. | Deposit date: | 2003-11-19 | Release date: | 2003-12-09 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | A novel short-chain peptide BmKX from the Chinese scorpion Buthus martensi karsch, sequencing, gene cloning and structure determination Toxicon, 45, 2005
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1SGP
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1SGQ
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1SGR
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5H21
| Trimethoxy-ring inhibitor in complex with the first bromodomain of BRD4 | Descriptor: | 3,4,5-trimethoxy-~{N}-(2-thiophen-2-ylethyl)benzamide, Bromodomain-containing protein 4 | Authors: | Zhang, H, Luo, C. | Deposit date: | 2016-10-13 | Release date: | 2017-07-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.591 Å) | Cite: | Discovery of novel trimethoxy-ring BRD4 bromodomain inhibitors: AlphaScreen assay, crystallography and cell-based assay. Medchemcomm, 8, 2017
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5IML
| Nanobody targeting human Vsig4 in Spacegroup P212121 | Descriptor: | Nanobody, V-set and immunoglobulin domain-containing protein 4 | Authors: | Wen, Y. | Deposit date: | 2016-03-06 | Release date: | 2017-01-11 | Last modified: | 2017-07-05 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural evaluation of a nanobody targeting complement receptor Vsig4 and its cross reactivity Immunobiology, 222, 2017
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5IMK
| Nanobody targeting human Vsig4 in Spacegroup C2 | Descriptor: | Nanobody, V-set and immunoglobulin domain-containing protein 4 | Authors: | Wen, Y. | Deposit date: | 2016-03-06 | Release date: | 2017-01-11 | Last modified: | 2017-07-05 | Method: | X-RAY DIFFRACTION (1.227 Å) | Cite: | Structural evaluation of a nanobody targeting complement receptor Vsig4 and its cross reactivity Immunobiology, 222, 2017
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5IMO
| Nanobody targeting mouse Vsig4 in Spacegroup P3221 | Descriptor: | Nanobody, Protein Vsig4 | Authors: | Wen, Y, Zheng, F. | Deposit date: | 2016-03-06 | Release date: | 2017-01-11 | Last modified: | 2017-07-05 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural evaluation of a nanobody targeting complement receptor Vsig4 and its cross reactivity Immunobiology, 222, 2017
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5IMM
| Nanobody targeting mouse Vsig4 in Spacegroup P212121 | Descriptor: | Nanobody, Protein Vsig4 | Authors: | Wen, Y, Zheng, F. | Deposit date: | 2016-03-06 | Release date: | 2017-01-11 | Last modified: | 2017-07-05 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structural evaluation of a nanobody targeting complement receptor Vsig4 and its cross reactivity Immunobiology, 222, 2017
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2P5X
| Crystal structure of Maf domain of human N-acetylserotonin O-methyltransferase-like protein | Descriptor: | N-acetylserotonin O-methyltransferase-like protein, PHOSPHATE ION | Authors: | Min, J, Wu, H, Dombrovski, L, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | Deposit date: | 2007-03-16 | Release date: | 2007-03-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Biochemical and structural studies of conserved maf proteins revealed nucleotide pyrophosphatases with a preference for modified nucleotides. Chem.Biol., 20, 2013
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6LU5
| Crystal structure of BPTF-BRD with ligand DCBPin5 bound | Descriptor: | 6-(1H-indol-5-yl)-N-methyl-2-methylsulfonyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF | Authors: | Lu, T, Lu, H.B, Wang, J, Lin, H, Lu, W, Luo, C. | Deposit date: | 2020-01-25 | Release date: | 2021-04-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.86527729 Å) | Cite: | Discovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins To Be Published
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6LU6
| Crystal structure of BPTF-BRD with ligand DCBPin5-2 bound | Descriptor: | 6-[1-[3-(dimethylamino)propyl]indol-5-yl]-2-methylsulfonyl-N-propyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF | Authors: | Lu, T, Lu, H.B, Wang, J, Lin, H, Lu, W, Luo, C. | Deposit date: | 2020-01-26 | Release date: | 2021-04-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.970063 Å) | Cite: | Discovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins To Be Published
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5D41
| EGFR kinase domain in complex with mutant selective allosteric inhibitor | Descriptor: | (2R)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, MAGNESIUM ION, ... | Authors: | Yun, C.-H, Park, E, Eck, M.J. | Deposit date: | 2015-08-07 | Release date: | 2016-06-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Overcoming EGFR(T790M) and EGFR(C797S) resistance with mutant-selective allosteric inhibitors. Nature, 534, 2016
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5DRZ
| Crystal structure of anti-HIV-1 antibody F240 Fab in complex with gp41 peptide | Descriptor: | Envelope glycoprotein gp160, HIV Antibody F240 Heavy Chain, HIV Antibody F240 Light Chain, ... | Authors: | Gohain, N, Tolbert, W.D, Pazgier, M. | Deposit date: | 2015-09-16 | Release date: | 2016-10-19 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Molecular basis for epitope recognition by non-neutralizing anti-gp41 antibody F240. Sci Rep, 6, 2016
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5FEQ
| EGFR KINASE DOMAIN IN COMPLEX WITH A COVALENT AMINOBENZIMIDAZOLE | Descriptor: | Epidermal growth factor receptor, ~{N}-[1-[(3~{R})-1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl]-7-methyl-benzimidazol-2-yl]-2-methyl-pyridine-4-carboxamide | Authors: | DiDonato, M, Spraggon, G. | Deposit date: | 2015-12-17 | Release date: | 2016-07-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Discovery of (R,E)-N-(7-Chloro-1-(1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl)-1H-benzo[d]imidazol-2-yl)-2-methylisonicotinamide (EGF816), a Novel, Potent, and WT Sparing Covalent Inhibitor of Oncogenic (L858R, ex19del) and Resistant (T790M) EGFR Mutants for the Treatment of EGFR Mutant Non-Small-Cell Lung Cancers. J.Med.Chem., 59, 2016
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5FED
| EGFR kinase domain in complex with a covalent aminobenzimidazole inhibitor. | Descriptor: | Epidermal growth factor receptor, ~{N}-[7-methyl-1-[(3~{R})-1-propanoylazepan-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide | Authors: | DiDonato, M, Spraggon, G. | Deposit date: | 2015-12-16 | Release date: | 2016-07-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.651 Å) | Cite: | Discovery of (R,E)-N-(7-Chloro-1-(1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl)-1H-benzo[d]imidazol-2-yl)-2-methylisonicotinamide (EGF816), a Novel, Potent, and WT Sparing Covalent Inhibitor of Oncogenic (L858R, ex19del) and Resistant (T790M) EGFR Mutants for the Treatment of EGFR Mutant Non-Small-Cell Lung Cancers. J.Med.Chem., 59, 2016
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5FEE
| EGFR kinase domain T790M mutant in complex with a covalent aminobenzimidazole inhibitor. | Descriptor: | Epidermal growth factor receptor, ~{N}-[7-methyl-1-[(3~{R})-1-propanoylazepan-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide | Authors: | DiDonato, M, Spraggon, G. | Deposit date: | 2015-12-16 | Release date: | 2016-07-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of (R,E)-N-(7-Chloro-1-(1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl)-1H-benzo[d]imidazol-2-yl)-2-methylisonicotinamide (EGF816), a Novel, Potent, and WT Sparing Covalent Inhibitor of Oncogenic (L858R, ex19del) and Resistant (T790M) EGFR Mutants for the Treatment of EGFR Mutant Non-Small-Cell Lung Cancers. J.Med.Chem., 59, 2016
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4LU1
| Crystal structure of the uncharacterized Maf protein YceF from E. coli, mutant D69A | Descriptor: | Maf-like protein YceF, UNKNOWN ATOM OR ION | Authors: | Dong, A, Xu, X, Cui, H, Tchigvintsev, A, Flick, R, Brown, G, Popovic, A, Yakunin, A.F, Savchenko, A, Structural Genomics Consortium (SGC) | Deposit date: | 2013-07-24 | Release date: | 2013-08-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Biochemical and structural studies of conserved maf proteins revealed nucleotide pyrophosphatases with a preference for modified nucleotides. Chem.Biol., 20, 2013
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4LX4
| Crystal Structure Determination of Pseudomonas stutzeri endoglucanase Cel5A using a Twinned Data Set | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endoglucanase(Endo-1,4-beta-glucanase)protein | Authors: | Dutoit, R, Delsaute, M, Berlemont, R, Van Elder, D, Galleni, M, Bauvois, C. | Deposit date: | 2013-07-29 | Release date: | 2014-07-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.556 Å) | Cite: | Crystal structure determination of Pseudomonas stutzeri A1501 endoglucanase Cel5A: the search for a molecular basis for glycosynthesis in GH5_5 enzymes. Acta Crystallogr D Struct Biol, 75, 2019
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6KX2
| Crystal structure of GDP bound RhoA protein | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Transforming protein RhoA | Authors: | Zhang, H, Luo, C. | Deposit date: | 2019-09-09 | Release date: | 2020-08-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.454 Å) | Cite: | Covalent Inhibitors Allosterically Block the Activation of Rho Family Proteins and Suppress Cancer Cell Invasion. Adv Sci, 7, 2020
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6KX3
| Crystal structure of RhoA protein with covalent inhibitor DC-Rhoin | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Transforming protein RhoA, prop-2-enyl (3R)-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophene-3-carboxylate | Authors: | Zhang, H, Luo, C. | Deposit date: | 2019-09-09 | Release date: | 2020-08-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.981 Å) | Cite: | Covalent Inhibitors Allosterically Block the Activation of Rho Family Proteins and Suppress Cancer Cell Invasion. Adv Sci, 7, 2020
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8JWY
| Crystal structure of A2AR-T4L in complex with 2-118 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[2-azanyl-6-[2-oxidanylidene-1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]pyridin-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile, Adenosine receptor A2a,Endolysin, ... | Authors: | Weng, Y, Chen, Y, Xu, Y, Song, G. | Deposit date: | 2023-06-29 | Release date: | 2023-08-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Structural insight into the dual-antagonistic mechanism of AB928 on adenosine A 2 receptors. Sci China Life Sci, 2024
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8JWZ
| Crystal structure of A2AR-T4L in complex with AB928 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[2-azanyl-6-[1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]-1,2,3-triazol-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile, Adenosine receptor A2a,Endolysin, ... | Authors: | Weng, Y, Chen, Y, Xu, Y, Song, G. | Deposit date: | 2023-06-29 | Release date: | 2023-08-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Structural insight into the dual-antagonistic mechanism of AB928 on adenosine A 2 receptors. Sci China Life Sci, 2024
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