7VKM
 
 | | Crystal structure of TrkA (G595R) kinase domain | | Descriptor: | Tyrosine-protein kinase receptor | | Authors: | Murray, B.W, Rogers, E, Zhai, D, Deng, W, Chen, X, Sprengeler, P.A, Zhang, X, Graber, A, Reich, S.H, Stopatschinskaja, S, Solomon, B, Besse, B, Drilon, A. | | Deposit date: | 2021-09-30 | | Release date: | 2021-10-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Molecular Characteristics of Repotrectinib That Enable Potent Inhibition of TRK Fusion Proteins and Resistant Mutations.
Mol.Cancer Ther., 20, 2021
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7VKO
 | | Crystal structure of TrkA kinase with repotrectinib | | Descriptor: | Repotrectinib, SULFATE ION, Tyrosine-protein kinase receptor | | Authors: | Murray, B.W, Rogers, E, Zhai, D, Deng, W, Chen, X, Sprengeler, P.A, Zhang, X, Graber, A, Reich, S.H, Stopatschinskaja, S, Solomon, B, Besse, B, Drilon, A. | | Deposit date: | 2021-09-30 | | Release date: | 2021-10-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Molecular Characteristics of Repotrectinib That Enable Potent Inhibition of TRK Fusion Proteins and Resistant Mutations.
Mol.Cancer Ther., 20, 2021
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7VKN
 | | Crystal structure of TrkA (G595R) kinase with repotrectinib | | Descriptor: | Repotrectinib, SULFATE ION, Tyrosine-protein kinase receptor | | Authors: | Murray, B.W, Rogers, E, Zhai, D, Deng, W, Chen, X, Sprengeler, P.A, Zhang, X, Graber, A, Reich, S.H, Stopatschinskaja, S, Solomon, B, Besse, B, Drilon, A. | | Deposit date: | 2021-09-30 | | Release date: | 2021-10-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Molecular Characteristics of Repotrectinib That Enable Potent Inhibition of TRK Fusion Proteins and Resistant Mutations.
Mol.Cancer Ther., 20, 2021
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7X3O
 | | Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07054 | | Descriptor: | (2~{R})-2-(3-fluoranyl-4-pyrimidin-5-yl-phenyl)butanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Fang, P, Sun, H. | | Deposit date: | 2022-03-01 | | Release date: | 2023-03-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07054
To Be Published
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2M5L
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7VVS
 | | PLL9 induced TmFtn nanocage | | Descriptor: | FE (III) ION, Ferritin | | Authors: | Zhao, G, Zhang, X. | | Deposit date: | 2021-11-08 | | Release date: | 2022-11-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | PLL9 induced TmFtn nanocage
To Be Published
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7V3P
 | | Cryo-EM structure of the IGF1R/insulin complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin A chain, Insulin B chain, ... | | Authors: | Zhang, J, Liu, C, Zhang, X, Wei, T, Wu, C. | | Deposit date: | 2021-08-11 | | Release date: | 2022-08-17 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Cryo-EM structure of the IGF1R/insulin complex
To Be Published
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7VH3
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7WQV
 | | Crystal structure of a neutralizing monoclonal antibody (Ab08) in complex with SARS-CoV-2 receptor-binding domain (RBD) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Ab08, ... | | Authors: | Zha, J, Meng, L, Zhang, X, Li, D. | | Deposit date: | 2022-01-26 | | Release date: | 2023-01-25 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | A Spike-destructing human antibody effectively neutralizes Omicron-included SARS-CoV-2 variants with therapeutic efficacy.
Plos Pathog., 19, 2023
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7XSN
 | | Native Tetrahymena ribozyme conformation | | Descriptor: | RNA (387-MER) | | Authors: | Li, S, Palo, M, Pintilie, G, Zhang, X, Su, Z, Kappel, K, Chiu, W, Zhang, K, Das, R. | | Deposit date: | 2022-05-14 | | Release date: | 2022-08-03 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3.01 Å) | | Cite: | Topological crossing in the misfolded Tetrahymena ribozyme resolved by cryo-EM.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7XSM
 | | Misfolded Tetrahymena ribozyme conformation 3 | | Descriptor: | RNA (388-MER) | | Authors: | Li, S, Palo, M, Pintilie, G, Zhang, X, Su, Z, Kappel, K, Chiu, W, Zhang, K, Das, R. | | Deposit date: | 2022-05-14 | | Release date: | 2022-08-03 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (4.01 Å) | | Cite: | Topological crossing in the misfolded Tetrahymena ribozyme resolved by cryo-EM.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7XSL
 | | Misfolded Tetrahymena ribozyme conformation 2 | | Descriptor: | RNA (388-MER) | | Authors: | Li, S, Palo, M, Pintilie, G, Zhang, X, Su, Z, Kappel, K, Chiu, W, Zhang, K, Das, R. | | Deposit date: | 2022-05-14 | | Release date: | 2022-08-03 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.84 Å) | | Cite: | Topological crossing in the misfolded Tetrahymena ribozyme resolved by cryo-EM.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7XSK
 | | Misfolded Tetrahymena ribozyme conformation 1 | | Descriptor: | RNA (388-MER) | | Authors: | Li, S, Palo, M, Pintilie, G, Zhang, X, Su, Z, Kappel, K, Chiu, W, Zhang, K, Das, R. | | Deposit date: | 2022-05-14 | | Release date: | 2022-08-03 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.53 Å) | | Cite: | Topological crossing in the misfolded Tetrahymena ribozyme resolved by cryo-EM.
Proc.Natl.Acad.Sci.USA, 119, 2022
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5JRH
 | | Crystal structure of Salmonella enterica acetyl-CoA synthetase (Acs) in complex with cAMP and Coenzyme A | | Descriptor: | (R,R)-2,3-BUTANEDIOL, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Acetyl-coenzyme A synthetase, ... | | Authors: | Shen, L, Zhang, Y. | | Deposit date: | 2016-05-06 | | Release date: | 2016-12-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.644 Å) | | Cite: | Cyclic AMP Inhibits the Activity and Promotes the Acetylation of Acetyl-CoA Synthetase through Competitive Binding to the ATP/AMP Pocket.
J. Biol. Chem., 292, 2017
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9O91
 | | Structure of IKZF2:CRBN:Compound 5 ternary structure | | Descriptor: | (3S)-3-[(5M)-1-oxo-5-{4-[(pyrrolidin-1-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-yl}-1,3-dihydro-2H-isoindol-2-yl]piperidine-2,6-dione, Protein cereblon, ZINC ION, ... | | Authors: | Strickland, C.O, Rice, C.T. | | Deposit date: | 2025-04-17 | | Release date: | 2025-07-09 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Overcoming CK1 alpha liability in the discovery of a series of isoIndolinone Glutarimides as selective IKZF2 molecular glue degraders.
Bioorg.Med.Chem.Lett., 124, 2025
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6INM
 | | Crystal structure of PDE4D complexed with a novel inhibitor | | Descriptor: | (1S)-1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | | Authors: | Zhang, X.L, Su, H.X, Xu, Y.C. | | Deposit date: | 2018-10-26 | | Release date: | 2019-10-23 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.999 Å) | | Cite: | Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
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6IMR
 | | Crystal structure of PDE4D complexed with a novel inhibitor | | Descriptor: | (1S)-1-[3-(1H-indol-3-yl)propyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | | Authors: | Zhang, X.L, Su, H.X, Xu, Y.C. | | Deposit date: | 2018-10-23 | | Release date: | 2019-10-23 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.503 Å) | | Cite: | Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
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6INK
 | | Crystal structure of PDE4D complexed with a novel inhibitor | | Descriptor: | (1S)-1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | | Authors: | Zhang, X.L, Su, H.X, Xu, Y.C. | | Deposit date: | 2018-10-25 | | Release date: | 2019-10-23 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
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6IND
 | | Crystal structure of PDE4D complexed with a novel inhibitor | | Descriptor: | (1S)-6,7-dimethoxy-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | | Authors: | Zhang, X.L, Su, H.X, Xu, Y.C. | | Deposit date: | 2018-10-24 | | Release date: | 2019-10-23 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.872 Å) | | Cite: | Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
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7XT1
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8XFD
 | | Crystal structure of pyruvate kinase tetramer in complex with allosteric activator, Mitapivat (MTPV, AG-348) | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, Isoform L-type of Pyruvate kinase PKLR, MAGNESIUM ION, ... | | Authors: | Sun, R, Achour, A. | | Deposit date: | 2023-12-13 | | Release date: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | High Resolution Crystal Structure of the Pyruvate Kinase Tetramer in Complex with the Allosteric Activator Mitapivat/AG-348
Crystals, 2024
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5XGR
 | | Structure of the S1 subunit C-terminal domain from bat-derived coronavirus HKU5 spike protein | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1 | | Authors: | Xue, H, Qi, J, Song, H, Qihui, W, Shi, Y, Gao, G.F. | | Deposit date: | 2017-04-16 | | Release date: | 2017-05-10 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of the S1 subunit C-terminal domain from bat-derived coronavirus HKU5 spike protein
Virology, 507, 2017
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6FPF
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6FPG
 | | Structure of the Ustilago maydis chorismate mutase 1 in complex with a Zea mays kiwellin | | Descriptor: | CITRIC ACID, Chromosome 16, whole genome shotgun sequence, ... | | Authors: | Altegoer, F, Steinchen, W, Bange, G. | | Deposit date: | 2018-02-09 | | Release date: | 2019-01-16 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A kiwellin disarms the metabolic activity of a secreted fungal virulence factor.
Nature, 565, 2019
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6H3P
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