7KAA
| NMR solution structures of tirasemtiv drug bound to a fast skeletal troponin C-troponin I complex | Descriptor: | 6-ethynyl-1-(pentan-3-yl)-1H-imidazo[4,5-b]pyrazin-2-ol, CALCIUM ION, Troponin C, ... | Authors: | Mercier, P, Li, M.X, Hartman, J.J, Sykes, B.D. | Deposit date: | 2020-09-30 | Release date: | 2021-03-24 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural Basis of Tirasemtiv Activation of Fast Skeletal Muscle. J.Med.Chem., 64, 2021
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8H3T
| The crystal structure of AlpH | Descriptor: | AlpH, GLYCEROL | Authors: | Zhao, Y, Li, M, Jiang, M, Pan, L.F. | Deposit date: | 2022-10-09 | Release date: | 2023-09-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.866 Å) | Cite: | O-methyltransferase-like enzyme catalyzed diazo installation in polyketide biosynthesis. Nat Commun, 14, 2023
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8HI9
| SARS-CoV-2 3CL protease (3CLpro) in complex with Robinetin | Descriptor: | 3,7-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one, 3C-like proteinase nsp5 | Authors: | Su, H.X, Xie, H, Li, M.J, Xu, Y.C. | Deposit date: | 2022-11-19 | Release date: | 2023-10-25 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Discovery of Polyphenolic Natural Products as SARS-CoV-2 M pro Inhibitors for COVID-19. Pharmaceuticals, 16, 2023
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7YIM
| Cryo-EM structure of human Alpha-fetoprotein | Descriptor: | Alpha-fetoprotein | Authors: | Liu, N, Liu, K, Wu, C, Liu, Z, Li, M, Wang, J, Wang, H.W. | Deposit date: | 2022-07-17 | Release date: | 2023-01-18 | Last modified: | 2023-01-25 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Uniform thin ice on ultraflat graphene for high-resolution cryo-EM. Nat.Methods, 20, 2023
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1M2S
| Solution Structure of A New Potassium Channels Blocker from the Venom of Chinese Scorpion Buthus martensi Karsch | Descriptor: | Toxin BmTX3 | Authors: | Wang, Y, Li, M, Zhang, N, Wu, G, Hu, G, Wu, H. | Deposit date: | 2002-06-25 | Release date: | 2004-04-06 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | The solution structure of BmTx3B, a member of the scorpion toxin subfamily alpha-KTx 16 Proteins, 58, 2005
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6LJH
| Crystal structure of Alcohol dehydrogenase 1 from Artemisia annua in complex with NAD+ | Descriptor: | Alcohol dehydrogenase 1, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Feng, X, Fan, S, Li, M, Zou, S, Lv, G, Wu, G, Jin, Y, Yang, Z. | Deposit date: | 2019-12-16 | Release date: | 2020-12-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of Alcohol dehydrogenase 1 from Artemisia annua in complex with NAD+ To Be Published
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7CYI
| Crystal structure of Alcohol dehydrogenase 1 from Artemisia annua | Descriptor: | Alcohol dehydrogenase 1, ZINC ION | Authors: | Feng, X, Fan, S, Lv, G, Li, M, Wu, G, Jin, Y, Yang, Z. | Deposit date: | 2020-09-03 | Release date: | 2021-09-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Crystal structure of Alcohol dehydrogenase 1 from Artemisia annua To Be Published
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7FCZ
| Crystal Structure of human RIPK1 kinase domain in complex with a novel inhibitor | Descriptor: | N-[(3S)-7-(2-cyclopropylethynyl)-5-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-(phenylmethyl)-4H-1,2,4-triazole-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 1 | Authors: | Su, H.X, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | Deposit date: | 2021-07-15 | Release date: | 2022-01-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Potent and Selective RIPK1 Inhibitors Targeting Dual-Pockets for the Treatment of Systemic Inflammatory Response Syndrome and Sepsis. Angew.Chem.Int.Ed.Engl., 61, 2022
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7FD0
| Crystal Structure of human RIPK1 kinase domain in complex with a novel inhibitor | Descriptor: | N-[(3S)-5-methyl-7-[2-(oxan-4-yl)ethynyl]-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-(phenylmethyl)-4H-1,2,4-triazole-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 1 | Authors: | Su, H.X, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | Deposit date: | 2021-07-15 | Release date: | 2022-01-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Potent and Selective RIPK1 Inhibitors Targeting Dual-Pockets for the Treatment of Systemic Inflammatory Response Syndrome and Sepsis. Angew.Chem.Int.Ed.Engl., 61, 2022
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5Y1B
| Crystal Structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 complexed with a berberine derivative (SYSU-00679) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 9-O-3'-quinolinium propylberberine, Beta-hexosaminidase | Authors: | Duan, Y.W, Liu, T, Zhou, Y, Tang, J.Y, Li, M, Yang, Q. | Deposit date: | 2017-07-20 | Release date: | 2018-01-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.207 Å) | Cite: | Glycoside hydrolase family 18 and 20 enzymes are novel targets of the traditional medicine berberine. J. Biol. Chem., 293, 2018
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5Y0V
| Crystal Structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 complexed with berberine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BERBERINE, ... | Authors: | Duan, Y.W, Liu, T, Tang, J.Y, Li, M, Yang, Q. | Deposit date: | 2017-07-18 | Release date: | 2018-01-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.423 Å) | Cite: | Glycoside hydrolase family 18 and 20 enzymes are novel targets of the traditional medicine berberine. J. Biol. Chem., 293, 2018
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8GTV
| SARS-CoV-2 3CL protease (3CLpro) in complex with compound JZD-07 | Descriptor: | 3C-like proteinase, 4-[(2~{S})-4-(3,4-dichlorophenyl)-2-(morpholin-4-ylmethyl)piperazin-1-yl]carbonyl-1~{H}-quinolin-2-one | Authors: | Su, H.X, Nie, T.Q, Xie, H, Li, M.J, Xu, Y.C. | Deposit date: | 2022-09-08 | Release date: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Development of novel inhibitors against SARS-CoV-2 3CLpro To Be Published
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8GTW
| SARS-CoV-2 3CL protease (3CLpro) in complex with compound JZD-26 | Descriptor: | (2S)-4-(3,4-dichlorophenyl)-1-[(2-oxidanylidene-1H-quinolin-4-yl)carbonyl]-N-[3,3,3-tris(fluoranyl)propyl]piperazine-2-carboxamide, 3C-like proteinase | Authors: | Su, H.X, Nie, T.Q, Xie, H, Li, M.J, Xu, Y.C. | Deposit date: | 2022-09-08 | Release date: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Development of novel inhibitors against SARS-CoV-2 3CLpro To Be Published
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7V3R
| Crystal structure of CMET in complex with a novel inhibitor | Descriptor: | Hepatocyte growth factor receptor, ~{N}1'-[3-fluoranyl-4-(2-phenylazanylpyrimidin-4-yl)oxy-phenyl]-~{N}1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide | Authors: | Su, H.X, Liu, Q.F, Chen, T.T, Li, M.J, Xu, Y.C. | Deposit date: | 2021-08-11 | Release date: | 2022-08-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of 10H-Benzo[b]pyrido[2,3-e][1,4]oxazine AXL Inhibitors via Structure-Based Drug Design Targeting c-Met Kinase J.Med.Chem., 66, 2023
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7V3S
| Crystal structure of CMET in complex with a novel inhibitor | Descriptor: | Hepatocyte growth factor receptor, ~{N}1'-[3-fluoranyl-4-(10~{H}-pyrido[3,2-b][1,4]benzoxazin-4-yloxy)phenyl]-~{N}1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide | Authors: | Su, H.X, Liu, Q.F, Chen, T.T, Li, M.J, Xu, Y.C. | Deposit date: | 2021-08-11 | Release date: | 2022-08-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of 10H-Benzo[b]pyrido[2,3-e][1,4]oxazine AXL Inhibitors via Structure-Based Drug Design Targeting c-Met Kinase J.Med.Chem., 66, 2023
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