5WLJ
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5WLM
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5W8I
| Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 23 and Zinc | Descriptor: | 2-[3-(3,4-difluorophenyl)-5-hydroxy-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid, CITRIC ACID, DIMETHYL SULFOXIDE, ... | Authors: | Lukacs, C.M, Abendroth, J. | Deposit date: | 2017-06-21 | Release date: | 2018-01-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH). J. Med. Chem., 60, 2017
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5WLK
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5W8L
| Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 59 and NADH | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-{3-([1,1'-biphenyl]-3-yl)-5-(cyclopropylmethyl)-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, ... | Authors: | Davies, D.R, Dranow, D.M. | Deposit date: | 2017-06-21 | Release date: | 2018-01-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH). J. Med. Chem., 60, 2017
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5W8H
| Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 11 | Descriptor: | 2-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Lukacs, C.M, Dranow, D.M. | Deposit date: | 2017-06-21 | Release date: | 2018-01-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH). J. Med. Chem., 60, 2017
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5XK6
| Structure of a prenyltransferase soaked with IPP | Descriptor: | MAGNESIUM ION, PYROPHOSPHATE 2-, SULFATE ION, ... | Authors: | Ko, T.P, Guo, R.T, Liu, W, Chen, C.C, Gao, J. | Deposit date: | 2017-05-05 | Release date: | 2018-01-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | "Head-to-Middle" and "Head-to-Tail" cis-Prenyl Transferases: Structure of Isosesquilavandulyl Diphosphate Synthase. Angew. Chem. Int. Ed. Engl., 57, 2018
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5XK3
| Crystal structure of apo form Isosesquilavandulyl Diphosphate Synthase from Streptomyces sp. strain CNH-189 | Descriptor: | SULFATE ION, Undecaprenyl diphosphate synthase | Authors: | Ko, T.P, Guo, R.T, Liu, W, Chen, C.C, Gao, J. | Deposit date: | 2017-05-05 | Release date: | 2018-01-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.996 Å) | Cite: | "Head-to-Middle" and "Head-to-Tail" cis-Prenyl Transferases: Structure of Isosesquilavandulyl Diphosphate Synthase. Angew. Chem. Int. Ed. Engl., 57, 2018
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7FBC
| De novo design protein D22 with MBP tag | Descriptor: | Maltodextrin-binding protein,De novo design protein D22 | Authors: | Bin, H. | Deposit date: | 2021-07-09 | Release date: | 2021-12-22 | Last modified: | 2022-03-02 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A backbone-centred energy function of neural networks for protein design. Nature, 602, 2022
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7FBD
| De novo design protein D53 with MBP tag | Descriptor: | Maltodextrin-binding protein,De novo design protein D53 | Authors: | Bin, H. | Deposit date: | 2021-07-09 | Release date: | 2021-12-22 | Last modified: | 2022-03-02 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | A backbone-centred energy function of neural networks for protein design. Nature, 602, 2022
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7FBB
| De novo design protein D12 with MBP tag | Descriptor: | Maltodextrin-binding protein,de novo designed protein D12 | Authors: | Bin, H. | Deposit date: | 2021-07-09 | Release date: | 2021-12-22 | Last modified: | 2022-03-02 | Method: | X-RAY DIFFRACTION (2.307 Å) | Cite: | A backbone-centred energy function of neural networks for protein design. Nature, 602, 2022
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7X4I
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8W59
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8W5A
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8OLU
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8JJC
| Tubulin-Y62 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinolin-2-yl)-6-(3-methoxyphenyl)pyrimidin-2-amine, CALCIUM ION, ... | Authors: | Yang, J. | Deposit date: | 2023-05-30 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Structure-based design and synthesis of BML284 derivatives: A novel class of colchicine-site noncovalent tubulin degradation agents. Eur.J.Med.Chem., 268, 2024
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8JJB
| Crystal structure of T2R-TTL-Y61 complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | Authors: | Yang, J. | Deposit date: | 2023-05-30 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Structure-based design and synthesis of BML284 derivatives: A novel class of colchicine-site noncovalent tubulin degradation agents. Eur.J.Med.Chem., 268, 2024
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6IJX
| Crystal Structure of AKR1C1 complexed with meclofenamic acid | Descriptor: | 2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Zheng, X, Zhao, Y, Zhang, L, Zhang, H, Chen, Y, Hu, X. | Deposit date: | 2018-10-12 | Release date: | 2019-10-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Screening, synthesis, crystal structure, and molecular basis of 6-amino-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitriles as novel AKR1C3 inhibitors. Bioorg.Med.Chem., 26, 2018
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6AP9
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7C23
| Crystal structure of CrmE10, a SGNH-hydrolase family esterase | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... | Authors: | Li, Z, Li, J. | Deposit date: | 2020-05-07 | Release date: | 2020-05-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-guided protein engineering increases enzymatic activities of the SGNH family esterases. Biotechnol Biofuels, 13, 2020
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7C29
| Esterase CrmE10 mutant-D178A | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... | Authors: | Li, Z, Li, J. | Deposit date: | 2020-05-07 | Release date: | 2020-05-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Structure-guided protein engineering increases enzymatic activities of the SGNH family esterases. Biotechnol Biofuels, 13, 2020
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7C82
| Crystal structure of AlinE4, a SGNH-hydrolase family esterase | Descriptor: | ACETATE ION, ALANINE, CADMIUM ION, ... | Authors: | Li, Z, Li, J. | Deposit date: | 2020-05-28 | Release date: | 2020-07-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Structure-guided protein engineering increases enzymatic activities of the SGNH family esterases. Biotechnol Biofuels, 13, 2020
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7C84
| Esterase AlinE4 mutant, D162A | Descriptor: | ACETATE ION, CADMIUM ION, GLYCEROL, ... | Authors: | Li, Z, Li, J. | Deposit date: | 2020-05-28 | Release date: | 2020-07-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.552 Å) | Cite: | Structure-guided protein engineering increases enzymatic activities of the SGNH family esterases. Biotechnol Biofuels, 13, 2020
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7C85
| Esterase AlinE4 mutant-S13A | Descriptor: | ACETATE ION, CADMIUM ION, SGNH-hydrolase family esterase | Authors: | Li, Z, Li, J. | Deposit date: | 2020-05-28 | Release date: | 2020-07-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure-guided protein engineering increases enzymatic activities of the SGNH family esterases. Biotechnol Biofuels, 13, 2020
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7DGU
| De novo designed protein H4A1R | Descriptor: | de novo designed protein H4A1R | Authors: | Xu, Y, Liao, S, Chen, Q, Liu, H. | Deposit date: | 2020-11-12 | Release date: | 2021-11-24 | Last modified: | 2022-03-02 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A backbone-centred energy function of neural networks for protein design. Nature, 602, 2022
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