7OAL
| Crystal structure of pseudokinase CASK in complex with compound 25 | Descriptor: | 1,2-ETHANEDIOL, 2-[[2,5-bis(bromanyl)-4-methyl-phenyl]methylamino]-4-(cyclohexylamino)-N-[3-(2-oxidanylidene-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide, Peripheral plasma membrane protein CASK | Authors: | Chaikuad, A, Russ, N, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2021-04-19 | Release date: | 2021-05-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Design and Development of a Chemical Probe for Pseudokinase Ca 2+ /calmodulin-Dependent Ser/Thr Kinase. J.Med.Chem., 64, 2021
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6VYJ
| Human UHRF1 TTD domain in complex with a fragment | Descriptor: | 2,4-dimethylpyridine, E3 ubiquitin-protein ligase UHRF1, beta-D-glucopyranose | Authors: | Campbell, J.C, Chang, L, Young, D.W. | Deposit date: | 2020-02-26 | Release date: | 2021-01-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Discovery of small molecules targeting the tandem tudor domain of the epigenetic factor UHRF1 using fragment-based ligand discovery. Sci Rep, 11, 2021
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7UU0
| Crystal structure of the BRD2-BD2 in complex with a ligand | Descriptor: | 1,2-ETHANEDIOL, Isoform 3 of Bromodomain-containing protein 2, methyl (7S)-7-(thiophen-2-yl)-1,4-thiazepane-4-carboxylate | Authors: | Kalra, P, Shi, K, Aihara, H, Pomerantz, W.C.K. | Deposit date: | 2022-04-28 | Release date: | 2023-05-03 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Crystal structure of the BRD2-BD2 in complex with a ligand To Be Published
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7UUX
| ATP binds to Cyclic GMP AMP synthase (cGAS) through Mg coordination | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cyclic GMP-AMP synthase, MAGNESIUM ION, ... | Authors: | Wu, S, Gabelli, S.B, Sohn, J. | Deposit date: | 2022-04-29 | Release date: | 2023-05-03 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS Nat Commun, 15, 2024
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8QB3
| ADDobody zinc containing condition | Descriptor: | ADDobody, ZINC ION | Authors: | Buzas, D, Toelzer, C, Berger, I, Schaffitzel, C. | Deposit date: | 2023-08-24 | Release date: | 2023-12-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Engineering the ADDobody protein scaffold for generation of high-avidity ADDomer super-binders. Structure, 32, 2024
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5C4G
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8QC3
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7V03
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8QFQ
| Ergothioneine dioxygenase, variant H147A, from Thermocatellispora tengchongensis in complex with manganese | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Cysteine dioxygenase, ... | Authors: | Vasseur, C.M, Seebeck, F.P. | Deposit date: | 2023-09-04 | Release date: | 2023-12-27 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Enzyme-Catalyzed Oxidative Degradation of Ergothioneine. Angew.Chem.Int.Ed.Engl., 63, 2024
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8QFM
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6BV9
| Structure of proteinaceous RNase P 1 (PRORP1) from A. thaliana after overnight soak with juglone | Descriptor: | 5-hydroxynaphthalene-1,4-dione, CHLORIDE ION, Proteinaceous RNase P 1, ... | Authors: | Karasik, A, Wu, N, Fierke, C.A, Koutmos, M. | Deposit date: | 2017-12-12 | Release date: | 2019-06-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Inhibition of protein-only RNase P with Gambogic acid and Juglone To Be Published
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7U4L
| Crystal structure of human GPX4-U46C in complex with MAC-5576 | Descriptor: | Phospholipid hydroperoxide glutathione peroxidase, thiophene-2-carbaldehyde | Authors: | Forouhar, F, Liu, H, Lin, A.J, Wang, Q, Polychronidou, V, Soni, R.K, Xia, X, Stockwell, B.R. | Deposit date: | 2022-02-28 | Release date: | 2022-12-07 | Last modified: | 2022-12-28 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Small-molecule allosteric inhibitors of GPX4. Cell Chem Biol, 29, 2022
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8R8A
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8R8C
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7NT0
| Drosophila PGRP-LB Y78F mutant in complex with tracheal cytotoxin (TCT) | Descriptor: | GLCNAC(BETA1-4)-MURNAC(1,6-ANHYDRO)-L-ALA-GAMMA-D-GLU-MESO-A2PM-D-ALA, Isoform A of Peptidoglycan-recognition protein LB, ZINC ION | Authors: | Orlans, J, Aller, P, Da Silva, P. | Deposit date: | 2021-03-08 | Release date: | 2021-05-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | PGRP-LB: An Inside View into the Mechanism of the Amidase Reaction. Int J Mol Sci, 22, 2021
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6NKP
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7V0W
| Structure of Ternary Complex of cGAS with dsDNA and Bound 5 -pppG(2,5 )pA | Descriptor: | ADENOSINE MONOPHOSPHATE, Cyclic GMP-AMP synthase, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Wu, S, Gabelli, S.B, Sohn, J. | Deposit date: | 2022-05-11 | Release date: | 2023-05-17 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS Nat Commun, 15, 2024
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5AJ8
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7U4K
| Crystal structure of human GPX4-U46C-R152H in complex with ML162 | Descriptor: | 1,2-ETHANEDIOL, 2-chloro-N-(3-chloro-4-methoxyphenyl)-N-[(1R)-2-oxo-2-[(2-phenylethyl)amino]-1-(thiophen-2-yl)ethyl]acetamide, Phospholipid hydroperoxide glutathione peroxidase | Authors: | Forouhar, F, Liu, H, Lin, A.J, Wang, Q, Xia, X, Soni, R.K, Stockwell, B.R. | Deposit date: | 2022-02-28 | Release date: | 2022-12-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Small-molecule allosteric inhibitors of GPX4. Cell Chem Biol, 29, 2022
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7OAM
| Kinase domain of MERTK in complex with compound 8 | Descriptor: | 1,2-ETHANEDIOL, 2-[[2,5-bis(fluoranyl)phenyl]methylamino]-4-(cyclopentylamino)-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide, Tyrosine-protein kinase Mer | Authors: | Schroeder, M, Russ, N, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2021-04-19 | Release date: | 2021-05-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Design and Development of a Chemical Probe for Pseudokinase Ca 2+ /calmodulin-Dependent Ser/Thr Kinase. J.Med.Chem., 64, 2021
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8QC8
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6NMK
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8QFP
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6BT9
| Chitinase ChiA74 from Bacillus thuringiensis | Descriptor: | CALCIUM ION, Chitinase | Authors: | Juarez-Hernandez, E, Brieba, L.G, Torres-Larios, A, Jimenez-Sandoval, P, Barboza-Corona, J. | Deposit date: | 2017-12-05 | Release date: | 2019-03-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | The crystal structure of the chitinase ChiA74 of Bacillus thuringiensis has a multidomain assembly. Sci Rep, 9, 2019
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7ULB
| recombinant Mambalgin-1 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Mambalgin-1 | Authors: | Xu, J, Lei, X, Chen, L. | Deposit date: | 2022-04-04 | Release date: | 2023-05-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Structure of recombinant mambalgin at 2.49 Angstroms resolution. To Be Published
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