7DEO
| Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Spike protein S1, ... | Authors: | Fu, D, Zhang, G, Li, X, Rao, Z, Guo, Y. | Deposit date: | 2020-11-04 | Release date: | 2021-03-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes. Plos Biol., 19, 2021
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6OWK
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6U8X
| Crystal structure of DNMT3B-DNMT3L in complex with CpApG DNA | Descriptor: | CpApG DNA (25-MER), DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3B, ... | Authors: | Gao, L, Song, J. | Deposit date: | 2019-09-06 | Release date: | 2020-06-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.95063877 Å) | Cite: | Comprehensive structure-function characterization of DNMT3B and DNMT3A reveals distinctive de novo DNA methylation mechanisms. Nat Commun, 11, 2020
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6U8P
| Crystal structure of DNMT3B-DNMT3L in complex with CpGpA DNA | Descriptor: | CpGpA DNA (25-MER), DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3B, ... | Authors: | Gao, L, Song, J. | Deposit date: | 2019-09-05 | Release date: | 2020-06-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Comprehensive structure-function characterization of DNMT3B and DNMT3A reveals distinctive de novo DNA methylation mechanisms. Nat Commun, 11, 2020
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6U8V
| Crystal structure of DNMT3B-DNMT3L in complex with CpGpT DNA | Descriptor: | CpGpT DNA (25-MER), DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3B, ... | Authors: | Gao, L, Zhang, Z.M, Song, J. | Deposit date: | 2019-09-06 | Release date: | 2020-06-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Comprehensive structure-function characterization of DNMT3B and DNMT3A reveals distinctive de novo DNA methylation mechanisms. Nat Commun, 11, 2020
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6U8W
| Crystal structure of DNMT3B(K777A)-DNMT3L in complex with CpGpT DNA | Descriptor: | CpGpT DNA (25-MER), DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3B, ... | Authors: | Gao, L, Zhang, Z.M, Song, J. | Deposit date: | 2019-09-06 | Release date: | 2020-06-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.94891548 Å) | Cite: | Comprehensive structure-function characterization of DNMT3B and DNMT3A reveals distinctive de novo DNA methylation mechanisms. Nat Commun, 11, 2020
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4L08
| Crystal structure of the maleamate amidase Ami(C149A) in complex with maleate from Pseudomonas putida S16 | Descriptor: | Hydrolase, isochorismatase family, MALEIC ACID | Authors: | Chen, D.D, Lu, Y, Zhang, Z, Wu, G, Xu, P. | Deposit date: | 2013-05-31 | Release date: | 2014-07-16 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Structural insights into the specific recognition of N-heterocycle biodenitrogenation-derived substrates by microbial amide hydrolases. Mol.Microbiol., 91, 2014
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4L07
| Crystal structure of the maleamate amidase Ami from Pseudomonas putida S16 | Descriptor: | GLYCEROL, Hydrolase, isochorismatase family, ... | Authors: | Chen, D.D, Lu, Y, Zhang, Z, Wu, G, Xu, P. | Deposit date: | 2013-05-30 | Release date: | 2014-07-16 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural insights into the specific recognition of N-heterocycle biodenitrogenation-derived substrates by microbial amide hydrolases. Mol.Microbiol., 91, 2014
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7DET
| Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody scFv | Authors: | Wang, Y, Zhang, G, Li, X, Rao, Z, Guo, Y. | Deposit date: | 2020-11-05 | Release date: | 2021-03-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes. Plos Biol., 19, 2021
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7DEU
| Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody scFv | Authors: | Zhang, Z, Zhang, G, Li, X, Rao, Z, Guo, Y. | Deposit date: | 2020-11-05 | Release date: | 2021-03-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes. Plos Biol., 19, 2021
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7FAI
| CARM1 bound with compound 9 | Descriptor: | Histone-arginine methyltransferase CARM1, N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]phenyl]methyl]-N-methyl-ethane-1,2-diamine | Authors: | Cao, D.Y, Li, J, Xiong, B. | Deposit date: | 2021-07-06 | Release date: | 2021-11-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.09749269 Å) | Cite: | Structure-Based Discovery of Potent CARM1 Inhibitors for Solid Tumor and Cancer Immunology Therapy. J.Med.Chem., 64, 2021
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7FAJ
| CARM1 bound with compound 43 | Descriptor: | Histone-arginine methyltransferase CARM1, N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-phenylazanyl-pyrimidin-2-yl]phenyl]methyl]-N-methyl-ethane-1,2-diamine | Authors: | Cao, D.Y, Li, J, Xiong, B. | Deposit date: | 2021-07-06 | Release date: | 2021-11-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2450726 Å) | Cite: | Structure-Based Discovery of Potent CARM1 Inhibitors for Solid Tumor and Cancer Immunology Therapy. J.Med.Chem., 64, 2021
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7VD4
| Crystal structure of BPTF-BRD with ligand TP248 bound | Descriptor: | 6-[4-[3-(dimethylamino)propoxy]phenyl]-N-methyl-2-methylsulfonyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF | Authors: | Lu, T, Lu, H.B. | Deposit date: | 2021-09-06 | Release date: | 2022-09-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.85659146 Å) | Cite: | Discovery of a highly potent CECR2 bromodomain inhibitor with 7H-pyrrolo[2,3-d] pyrimidine scaffold. Bioorg.Chem., 123, 2022
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6E8Q
| S. CEREVISIAE CYP51 COMPLEXED WITH Posaconazole | Descriptor: | DODECYL-BETA-D-MALTOSIDE, Lanosterol 14-alpha demethylase, PENTAETHYLENE GLYCOL, ... | Authors: | Tyndall, J.D, Keniya, M.V, Sabherwal, M, Monk, B.C. | Deposit date: | 2018-07-30 | Release date: | 2018-09-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Azole Resistance Reduces Susceptibility to the Tetrazole Antifungal VT-1161. Antimicrob. Agents Chemother., 63, 2019
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8EJX
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6OCU
| HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 29 | Descriptor: | 5-{(3R)-3-methyl-4-[(1R,2R)-2-methylcyclopropane-1-carbonyl]piperazin-1-yl}-3-(1-methyl-1H-pyrazol-4-yl)pyrazine-2-carbonitrile, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Lesburg, C.A, Augustin, M.A. | Deposit date: | 2019-03-25 | Release date: | 2019-12-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Discovery and optimization of heteroaryl piperazines as potent and selective PI3K delta inhibitors. Bioorg.Med.Chem.Lett., 30, 2020
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6O5I
| Menin in complex with MI-3454 | Descriptor: | DIMETHYL SULFOXIDE, Menin, SULFATE ION, ... | Authors: | Linhares, B.M, Klossowski, S, Cierpicki, T, Grembecka, J. | Deposit date: | 2019-03-03 | Release date: | 2020-01-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.24025619 Å) | Cite: | Menin inhibitor MI-3454 induces remission in MLL1-rearranged and NPM1-mutated models of leukemia. J.Clin.Invest., 130, 2020
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6OCO
| HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 6 | Descriptor: | 4-[(1S,4S)-5-(3-chlorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(pyridin-3-yl)pyrimidine-5-carbonitrile, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Lesburg, C.A, Augustin, M.A. | Deposit date: | 2019-03-25 | Release date: | 2019-12-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Discovery and optimization of heteroaryl piperazines as potent and selective PI3K delta inhibitors. Bioorg.Med.Chem.Lett., 30, 2020
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7LM2
| HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 3C | Descriptor: | 1,2-ETHANEDIOL, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ... | Authors: | Lesburg, C.A, Augustin, M. | Deposit date: | 2021-02-05 | Release date: | 2021-04-21 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Projected Dose Optimization of Amino- and Hydroxypyrrolidine Purine PI3K delta Immunomodulators. J.Med.Chem., 64, 2021
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7ML9
| The Mpp75Aa1.1 beta-pore-forming protein from Brevibacillus laterosporus | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Insecticidal protein, ... | Authors: | Rydel, T.J, Zheng, M, Evdokimov, A. | Deposit date: | 2021-04-27 | Release date: | 2021-05-05 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Structural and functional characterization of Mpp75Aa1.1, a putative beta-pore forming protein from Brevibacillus laterosporus active against the western corn rootworm. Plos One, 16, 2021
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5Y9O
| The apo structure of Legionella pneumophila WipA | Descriptor: | IODIDE ION, WipA | Authors: | Xie, W, Jia, Q. | Deposit date: | 2017-08-26 | Release date: | 2018-05-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.554 Å) | Cite: | Legionella pneumophila effector WipA, a bacterial PPP protein phosphatase with PTP activity Acta Biochim. Biophys. Sin. (Shanghai), 50, 2018
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4P59
| HER3 extracellular domain in complex with Fab fragment of MOR09825 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MOR09825 Fab fragment heavy chain, ... | Authors: | Sprague, E.R. | Deposit date: | 2014-03-15 | Release date: | 2014-04-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | An antibody that locks HER3 in the inactive conformation inhibits tumor growth driven by HER2 or neuregulin. Cancer Res., 73, 2013
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5YX2
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7ONQ
| Carbonic anhydrase II mutant (E69C) dually binding an IrCp* complex to generate an artificial transfer hydrogenase (ATHase) | Descriptor: | 1,2-ETHANEDIOL, 4-[2-(4-azanyl-9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide, Carbonic anhydrase 2, ... | Authors: | Stein, A, Dongping, C, Cotelle, Y, Rebelein, J.G, Ward, T.R. | Deposit date: | 2021-05-25 | Release date: | 2021-12-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | A Dual Anchoring Strategy for the Directed Evolution of Improved Artificial Transfer Hydrogenases Based on Carbonic Anhydrase. Acs Cent.Sci., 7, 2021
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6BRR
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