8DWU
| SPOP W22R Form 1 | Descriptor: | Speckle-type POZ protein | Authors: | Cuneo, M.J, Mittag, T, O'Flynn, B. | Deposit date: | 2022-08-02 | Release date: | 2023-01-18 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Higher-order SPOP assembly reveals a basis for cancer mutant dysregulation. Mol.Cell, 83, 2023
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5WPQ
| Cryo-EM structure of mammalian endolysosomal TRPML1 channel in nanodiscs in closed I conformation at 3.64 Angstrom resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Mucolipin-1, SODIUM ION | Authors: | Chen, Q, She, J, Guo, J, Bai, X, Jiang, Y. | Deposit date: | 2017-08-07 | Release date: | 2017-10-18 | Last modified: | 2023-04-05 | Method: | ELECTRON MICROSCOPY (3.64 Å) | Cite: | Structure of mammalian endolysosomal TRPML1 channel in nanodiscs. Nature, 550, 2017
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8DWS
| Full-length E47K SPOP | Descriptor: | Speckle-type POZ protein | Authors: | Cuneo, M.J, Mittag, T, O'Flynn, B, Lo, Y.H. | Deposit date: | 2022-08-02 | Release date: | 2023-01-18 | Last modified: | 2023-03-22 | Method: | ELECTRON MICROSCOPY (3.73 Å) | Cite: | Higher-order SPOP assembly reveals a basis for cancer mutant dysregulation. Mol.Cell, 83, 2023
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4Z0P
| Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase SMc02828 (SmGhrA) from Sinorhizobium meliloti in complex with NADPH and oxalate | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, GLYCEROL, ... | Authors: | Sroka, P, Gasiorowska, O.A, Handing, K.B, Shabalin, I.G, Porebski, P.J, Hillerich, B.S, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2015-03-26 | Release date: | 2015-04-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural, Biochemical, and Evolutionary Characterizations of Glyoxylate/Hydroxypyruvate Reductases Show Their Division into Two Distinct Subfamilies. Biochemistry, 57, 2018
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7DAW
| Crystal structure of Mycobacterium tuberculosis phenylalanyl-tRNA synthetase | Descriptor: | Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit, SULFATE ION | Authors: | Xu, M, Zhang, X, Xu, L, Chen, S. | Deposit date: | 2020-10-18 | Release date: | 2021-01-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Re-discovery of PF-3845 as a new chemical scaffold inhibiting phenylalanyl-tRNA synthetase in Mycobacterium tuberculosis . J.Biol.Chem., 2021
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8EDA
| An alternating AT dodecamer benzimidazole (DB1476) complex | Descriptor: | 4,4'-(1H-benzimidazole-2,6-diyl)di(benzene-1-carboximidamide), DNA (5'-D(*CP*GP*CP*GP*AP*TP*AP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION | Authors: | Ogbonna, E.N, Wilson, W.D. | Deposit date: | 2022-09-03 | Release date: | 2023-02-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences. Acs Bio Med Chem Au, 3, 2023
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6UX0
| Isavuconazole bound complex of Acanthamoeba castellanii CYP51 | Descriptor: | 4-{2-[(2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl}benzonitrile, FE (III) ION, Obtusifoliol 14alphademethylase, ... | Authors: | Sharma, V, Podust, L.M. | Deposit date: | 2019-11-06 | Release date: | 2020-10-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | Domain-Swap Dimerization of Acanthamoeba castellanii CYP51 and a Unique Mechanism of Inactivation by Isavuconazole. Mol.Pharmacol., 98, 2020
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5YM3
| CYP76AH1-4pi from salvia miltiorrhiza | Descriptor: | 4-PHENYL-1H-IMIDAZOLE, Ferruginol synthase, MANGANESE (II) ION, ... | Authors: | Chang, Z. | Deposit date: | 2017-10-20 | Release date: | 2018-10-24 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.601 Å) | Cite: | Crystal structure of CYP76AH1 in 4-PI-bound state from Salvia miltiorrhiza. Biochem.Biophys.Res.Commun., 511, 2019
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3ZCY
| Ascorbate peroxidase W41A-H42Y mutant | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ASCORBATE PEROXIDASE, POTASSIUM ION, ... | Authors: | Gumiero, A, Raven, E.L, Moody, P.C.E. | Deposit date: | 2012-11-23 | Release date: | 2012-12-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Probing the Conformational Mobility of the Active Site of Ascorbate Peroxidase Dalton Trans, 42, 2013
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8EDB
| 5'-CGCGAATTCGCG-3' and an AT-specific binder (DB1884) complex | Descriptor: | 4,4'-(1H-indole-2,6-diyl)dibenzenecarboximidamide, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION | Authors: | Ogbonna, E.N, Wilson, W.D. | Deposit date: | 2022-09-03 | Release date: | 2023-02-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences. Acs Bio Med Chem Au, 3, 2023
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3OMG
| Structure of human SND1 extended tudor domain in complex with the symmetrically dimethylated arginine PIWIL1 peptide R14me2s | Descriptor: | Staphylococcal nuclease domain-containing protein 1, dimethylated arginine peptide R14me2s | Authors: | Lam, R, Liu, K, Guo, Y.H, Bian, C.B, Xu, C, MacKenzie, F, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2010-08-26 | Release date: | 2010-09-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural basis for recognition of arginine methylated Piwi proteins by the extended Tudor domain. Proc.Natl.Acad.Sci.USA, 107, 2010
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7DB8
| Crystal structure of Mycobacterium tuberculosis phenylalanyl-tRNA synthetase in complex with compound PF-3845 | Descriptor: | N-pyridin-3-yl-4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methyl]piperidine-1-carboxamide, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit, ... | Authors: | Xu, M, Zhang, X, Xu, L, Chen, S. | Deposit date: | 2020-10-19 | Release date: | 2021-01-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Re-discovery of PF-3845 as a new chemical scaffold inhibiting phenylalanyl-tRNA synthetase in Mycobacterium tuberculosis . J.Biol.Chem., 2021
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3P3W
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4E54
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3ZGO
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6EZQ
| human Serum Albumin complexed with NBD-C12 fatty acid | Descriptor: | 12-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanoic acid, Serum albumin | Authors: | Wenskowsky, L, Liesum, A, Schreuder, H.A. | Deposit date: | 2017-11-16 | Release date: | 2017-12-13 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Identification and Characterization of a Single High-Affinity Fatty Acid Binding Site in Human Serum Albumin. Angew. Chem. Int. Ed. Engl., 57, 2018
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6VEI
| Crystal Structure of Human Cytosolic Isocitrate Dehydrogenase (IDH1) R132H Mutant in Complex with NADPH and AG-881 (Vorasidenib) Inhibitor | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol, 6-(6-chloropyridin-2-yl)-N2,N4-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine, ACETATE ION, ... | Authors: | Padyana, A, Jin, L. | Deposit date: | 2020-01-02 | Release date: | 2020-02-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Vorasidenib (AG-881): A First-in-Class, Brain-Penetrant Dual Inhibitor of Mutant IDH1 and 2 for Treatment of Glioma. Acs Med.Chem.Lett., 11, 2020
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3PA7
| Crystal structure of FKBP from plasmodium vivax in complex with tetrapeptide ALPF | Descriptor: | 4-mer Peptide ALPF, 70 kDa peptidylprolyl isomerase, putative | Authors: | Balakrishna, A.M, Alag, R, Yoon, H.S. | Deposit date: | 2010-10-18 | Release date: | 2012-02-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Structural insights into substrate binding by PvFKBP35, a peptidylprolyl cis-trans isomerase from the human malarial parasite Plasmodium vivax EUKARYOTIC CELL, 12, 2013
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3OOZ
| Bace1 in complex with the aminohydantoin Compound 102 | Descriptor: | (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-(5-fluoropent-1-yn-1-yl)phenyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1 | Authors: | Olland, A.M. | Deposit date: | 2010-08-31 | Release date: | 2011-08-31 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design and Synthesis of Aminohydantoins as Potent and Selective Human beta-Secretase (BACE1) Inhibitors with Enhanced Brain Permeability Bioorg.Med.Chem.Lett., 20, 2010
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1XLO
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3FSW
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1ANE
| ANIONIC TRYPSIN WILD TYPE | Descriptor: | ANIONIC TRYPSIN, BENZAMIDINE | Authors: | Fletterick, R.J, Mcgrath, M.E. | Deposit date: | 1994-12-21 | Release date: | 1997-04-01 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of an engineered, metal-actuated switch in trypsin. Biochemistry, 32, 1993
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8KGT
| Structure of African swine fever virus topoisomerase II in complex with dsDNA | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA topoisomerase 2 | Authors: | Cong, J, Xin, Y, Li, X, Chen, Y. | Deposit date: | 2023-08-19 | Release date: | 2024-04-03 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural insights into the DNA topoisomerase II of the African swine fever virus. Nat Commun, 15, 2024
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8KGS
| Structure of African swine fever virus topoisomerase II in complex with dsDNA | Descriptor: | DNA topoisomerase 2, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Cong, J, Xin, Y, Li, X, Chen, Y. | Deposit date: | 2023-08-19 | Release date: | 2024-04-03 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.603 Å) | Cite: | Structural insights into the DNA topoisomerase II of the African swine fever virus. Nat Commun, 15, 2024
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3P8E
| Crystal structure of human DIMETHYLARGININE DIMETHYLAMINOHYDROLASE-1 (DDAH-1) covalently bound with N5-(1-iminopentyl)-L-ornithine | Descriptor: | N(G),N(G)-dimethylarginine dimethylaminohydrolase 1, N~5~-[(1S)-1-aminopentyl]-L-ornithine | Authors: | Lluis, M, Wang, Y, Monzingo, A.F, Fast, W, Robertus, J.D. | Deposit date: | 2010-10-13 | Release date: | 2010-11-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4946 Å) | Cite: | Characterization of C-Alkyl Amidines as Bioavailable Covalent Reversible Inhibitors of Human DDAH-1. Chemmedchem, 6, 2011
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