7YC3
| Crystal structure of FGFR4 kinase domain with 10t | Descriptor: | 6-bromanyl-~{N}-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-5-methanoyl-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide, Fibroblast growth factor receptor 4, GLYCEROL, ... | Authors: | Chen, X.J, Lin, Q.M, Chen, Y.H. | Deposit date: | 2022-06-30 | Release date: | 2022-11-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.987 Å) | Cite: | Design, Synthesis, and Biological Evaluation of 5-Formyl-pyrrolo[3,2- b ]pyridine-3-carboxamides as New Selective, Potent, and Reversible-Covalent FGFR4 Inhibitors. J.Med.Chem., 65, 2022
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7YC1
| Crystal structure of FGFR4 kinase domain with 10d | Descriptor: | Fibroblast growth factor receptor 4, GLYCEROL, SULFATE ION, ... | Authors: | Chen, X.J, Lin, Q.M, Chen, Y.H. | Deposit date: | 2022-06-30 | Release date: | 2022-11-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.535 Å) | Cite: | Design, Synthesis, and Biological Evaluation of 5-Formyl-pyrrolo[3,2- b ]pyridine-3-carboxamides as New Selective, Potent, and Reversible-Covalent FGFR4 Inhibitors. J.Med.Chem., 65, 2022
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7YBP
| Crystal structure of FGFR4(V550L) kinase domain with 10z | Descriptor: | Fibroblast growth factor receptor 4, SULFATE ION, ~{N}-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-6-bromanyl-5-(hydroxymethyl)-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide | Authors: | Chen, X.J, Lin, Q.M, Chen, Y.H. | Deposit date: | 2022-06-29 | Release date: | 2022-11-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.243 Å) | Cite: | Design, Synthesis, and Biological Evaluation of 5-Formyl-pyrrolo[3,2- b ]pyridine-3-carboxamides as New Selective, Potent, and Reversible-Covalent FGFR4 Inhibitors. J.Med.Chem., 65, 2022
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7YBX
| Crystal structure of FGFR4(V550M) kinase domain with 10z | Descriptor: | Fibroblast growth factor receptor 4, SULFATE ION, ~{N}-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-6-bromanyl-5-(hydroxymethyl)-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide | Authors: | Chen, X.J, Lin, Q.M, Chen, Y.H. | Deposit date: | 2022-06-30 | Release date: | 2022-11-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.233 Å) | Cite: | Design, Synthesis, and Biological Evaluation of 5-Formyl-pyrrolo[3,2- b ]pyridine-3-carboxamides as New Selective, Potent, and Reversible-Covalent FGFR4 Inhibitors. J.Med.Chem., 65, 2022
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6KCV
| Structure of alginate lyase Aly36B mutant K143A/Y185A in complex with alginate tetrasaccharide | Descriptor: | Alginate lyase, CALCIUM ION, beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid | Authors: | Dong, F, Zhang, Y.Z, Chen, X.L. | Deposit date: | 2019-06-29 | Release date: | 2020-06-24 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.282 Å) | Cite: | Alginate Lyase Aly36B is a New Bacterial Member of the Polysaccharide Lyase Family 36 and Catalyzes by a Novel Mechanism With Lysine as Both the Catalytic Base and Catalytic Acid. J.Mol.Biol., 431, 2019
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5I95
| Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase R140Q Mutant Homodimer bound to NADPH and alpha-Ketoglutaric acid | Descriptor: | 2-OXOGLUTARIC ACID, ACETATE ION, CALCIUM ION, ... | Authors: | Zhang, B, Jin, L, Wu, W, Jiang, F, DeLaBarre, B, Travins, J.A, Padyana, A.K. | Deposit date: | 2016-02-19 | Release date: | 2017-03-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | AG-221, a First-in-Class Therapy Targeting Acute Myeloid Leukemia Harboring Oncogenic IDH2 Mutations. Cancer Discov, 7, 2017
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5I96
| Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with AG-221 (Enasidenib) Inhibitor. | Descriptor: | 2-methyl-1-[(4-[6-(trifluoromethyl)pyridin-2-yl]-6-{[2-(trifluoromethyl)pyridin-4-yl]amino}-1,3,5-triazin-2-yl)amino]propan-2-ol, ACETATE ION, CALCIUM ION, ... | Authors: | Wei, W, Zhang, B, Jin, L, Jiang, F, DeLaBarre, B, Travins, J.A, Padyana, A.K. | Deposit date: | 2016-02-19 | Release date: | 2017-03-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | AG-221, a First-in-Class Therapy Targeting Acute Myeloid Leukemia Harboring Oncogenic IDH2 Mutations. Cancer Discov, 7, 2017
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8GU4
| Poly(ethylene terephthalate) hydrolase (IsPETase)-linker | Descriptor: | Poly(ethylene terephthalate) hydrolase | Authors: | Xiao, Y.J, Wang, Z.F. | Deposit date: | 2022-09-09 | Release date: | 2022-11-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Biodegradation of highly crystallized poly(ethylene terephthalate) through cell surface codisplay of bacterial PETase and hydrophobin. Nat Commun, 13, 2022
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8GU5
| Wild type poly(ethylene terephthalate) hydrolase | Descriptor: | Poly(ethylene terephthalate) hydrolase | Authors: | Xiao, Y.J, Wang, Z.F. | Deposit date: | 2022-09-09 | Release date: | 2022-11-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Biodegradation of highly crystallized poly(ethylene terephthalate) through cell surface codisplay of bacterial PETase and hydrophobin. Nat Commun, 13, 2022
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8D1Y
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8D24
| Crystal structure of Plasmodium falciparum GRP78-NBD in complex with VER155008 | Descriptor: | 4-[[(2R,3S,4R,5R)-5-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile, Chaperone DnaK, SULFATE ION | Authors: | Mrozek, A, Park, H.W. | Deposit date: | 2022-05-27 | Release date: | 2023-05-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A non-traditional crystal-based compound screening method targeting the ATP binding site of Plasmodium falciparum GRP78 for identification of novel nucleoside analogues. Front Mol Biosci, 9, 2022
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8D20
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8D22
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8Q6M
| Human SOD1 low dose data collecton | Descriptor: | ACETATE ION, COPPER (II) ION, SULFATE ION, ... | Authors: | Antonyuk, S.V, Hossain, A, Agar, J.N, Hasnain, S.S. | Deposit date: | 2023-08-14 | Release date: | 2023-12-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Evaluating protein cross-linking as a therapeutic strategy to stabilize SOD1 variants in a mouse model of familial ALS. Plos Biol., 22, 2024
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4JGV
| Crystal Structure of Human Nur77 Ligand-binding Domain in Complex with THPN | Descriptor: | 1-(3,4,5-trihydroxyphenyl)nonan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | Authors: | Zhang, Q, Li, F, Li, A, Tian, X, Wan, W, Wan, Y, Chen, H, Xing, Y, Wu, Q, Lin, T. | Deposit date: | 2013-03-04 | Release date: | 2013-12-18 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Orphan nuclear receptor TR3 acts in autophagic cell death via mitochondrial signaling pathway. Nat.Chem.Biol., 10, 2014
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8XKI
| A neutralizing nanobody VHH60 against wt SARS-CoV-2 | 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 glycoprotein, ... | Authors: | Lu, Y, Guo, H, Ji, X, Yang, H. | Deposit date: | 2023-12-23 | Release date: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | A broad neutralizing nanobody against SARS-CoV-2 engineered from an approved drug. Cell Death Dis, 15, 2024
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4ZOL
| Crystal Structure of Tubulin-Stathmin-TTL-Tubulysin M Complex | Descriptor: | (2R,4R)-4-{[(2-{(1R,3R)-1-(acetyloxy)-4-methyl-3-[methyl(N-{[(2S)-1-methylpiperidin-2-yl]carbonyl}-D-isoleucyl)amino]pentyl}-1,3-thiazol-4-yl)carbonyl]amino}-2-methyl-5-phenylpentanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Wang, Y, Zhang, R. | Deposit date: | 2015-05-06 | Release date: | 2016-07-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Insights into the Pharmacophore of Vinca Domain Inhibitors of Microtubules Mol.Pharmacol., 89, 2016
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8XK2
| A neutralizing nanobody VHH60 against wt SARS-CoV-2 | Descriptor: | Spike protein S1, VHH60 nanobody | Authors: | Lu, Y, Guo, H, Ji, X, Yang, H. | Deposit date: | 2023-12-22 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | A broad neutralizing nanobody against SARS-CoV-2 engineered from an approved drug. Cell Death Dis, 15, 2024
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8E1M
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5I78
| Crystal structure of a beta-1,4-endoglucanase from Aspergillus niger | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Endo-beta-1, ... | Authors: | Liu, W.D, Yan, J.J, Li, Y.J, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2016-02-17 | Release date: | 2016-12-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Functional and structural analysis of Pichia pastoris-expressed Aspergillus niger 1,4-beta-endoglucanase Biochem. Biophys. Res. Commun., 475, 2016
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8KCI
| ATP-bound hMRP5 outward-open | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family C member 5, MAGNESIUM ION | Authors: | Liu, Z.M, Huang, Y. | Deposit date: | 2023-08-07 | Release date: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.94 Å) | Cite: | Inhibition and transport mechanisms of the ABC transporter hMRP5. Nat Commun, 15, 2024
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5I79
| Crystal structure of a beta-1,4-endoglucanase mutant from Aspergillus niger in complex with sugar | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Endo-beta-1, ... | Authors: | Liu, W.D, Yan, J.J, Li, Y.J, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2016-02-17 | Release date: | 2016-12-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Functional and structural analysis of Pichia pastoris-expressed Aspergillus niger 1,4-beta-endoglucanase Biochem. Biophys. Res. Commun., 475, 2016
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5I77
| Crystal structure of a beta-1,4-endoglucanase from Aspergillus niger | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Li, Y.J, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2016-02-17 | Release date: | 2016-12-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Functional and structural analysis of Pichia pastoris-expressed Aspergillus niger 1,4-beta-endoglucanase Biochem. Biophys. Res. Commun., 475, 2016
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3WX6
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4ZHQ
| Crystal structure of Tubulin-Stathmin-TTL-MMAE Complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | Authors: | Wang, Y, Zhang, R. | Deposit date: | 2015-04-26 | Release date: | 2016-07-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural Insights into the Pharmacophore of Vinca Domain Inhibitors of Microtubules Mol.Pharmacol., 89, 2016
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