6M13
 
 | | Crystal structure of Rnase L in complex with Toceranib | | Descriptor: | 5-[(Z)-(5-fluoranyl-2-oxidanylidene-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide, PHOSPHATE ION, Ribonuclease L, ... | | Authors: | Tang, J, Huang, H. | | Deposit date: | 2020-02-24 | | Release date: | 2020-09-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Sunitinib inhibits RNase L by destabilizing its active dimer conformation.
Biochem.J., 477, 2020
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6N6B
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5XG7
 | | Galectin-13/Placental Protein 13 crystal structure | | Descriptor: | Galactoside-binding soluble lectin 13 | | Authors: | Su, J.Y, Wang, Y. | | Deposit date: | 2017-04-12 | | Release date: | 2018-01-31 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Galectin-13, a different prototype galectin, does not bind beta-galacto-sides and forms dimers via intermolecular disulfide bridges between Cys-136 and Cys-138
Sci Rep, 8, 2018
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7WJQ
 | | Crystal structure of GSDMB in complex with Ipah7.8 | | Descriptor: | Isoform 2 of Gasdermin-B, Probable E3 ubiquitin-protein ligase ipaH7.8 | | Authors: | Li, X, Zhang, H, Yin, H. | | Deposit date: | 2022-01-07 | | Release date: | 2023-01-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Insights into the GSDMB-mediated cellular lysis and its targeting by IpaH7.8
Nat Commun, 14, 2023
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5WDJ
 | | CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH COMPOUND-6 AKA 7-(BENZYLOXY)-1H-[1,2, 3]TRIAZOLO[4,5-D]PYRIMIDIN-5-AMINE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-(benzyloxy)-1H-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine, CALCIUM ION, ... | | Authors: | Khan, J.A. | | Deposit date: | 2017-07-05 | | Release date: | 2018-04-18 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Triazolopyrimidines identified as reversible myeloperoxidase inhibitors.
Medchemcomm, 8, 2017
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7EU1
 | | The cryo-EM structure of A. thaliana Pol IV-RDR2 holoenzyme | | Descriptor: | DNA-directed RNA polymerase IV subunit 1, DNA-directed RNA polymerases II and IV subunit 5A, DNA-directed RNA polymerases II, ... | | Authors: | Fang, C.L, Wu, X.X, Huang, K, Zhang, Y. | | Deposit date: | 2021-05-15 | | Release date: | 2021-12-29 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (3.86 Å) | | Cite: | Pol IV and RDR2: A two-RNA-polymerase machine that produces double-stranded RNA.
Science, 374, 2021
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7EU0
 | | The cryo-EM structure of A. thaliana Pol IV-RDR2 backtracked complex | | Descriptor: | DNA (33-MER), DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*GP*AP*GP*TP*G)-3'), DNA-directed RNA polymerase IV subunit 1, ... | | Authors: | Fang, C.L, Wu, X.X, Huang, K, Zhang, Y. | | Deposit date: | 2021-05-15 | | Release date: | 2021-12-29 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (3.16 Å) | | Cite: | Pol IV and RDR2: A two-RNA-polymerase machine that produces double-stranded RNA.
Science, 374, 2021
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7FH7
 | | Friedel-Crafts alkylation enzyme CylK mutant Y37F | | Descriptor: | 5-[(2S,7R)-7-fluoranyl-2-methyl-undecyl]benzene-1,3-diol, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Wang, H.Q, Wei, Z, Xiang, Z. | | Deposit date: | 2021-07-29 | | Release date: | 2022-02-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Structural Basis for the Friedel-Crafts Alkylation in Cylindrocyclophane Biosynthesis
ACS Catal., 12, 2022
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7FH8
 | | Friedel-Crafts alkylation enzyme CylK mutant H391A | | Descriptor: | 2-[(5S,10S)-11-[3,5-bis(oxidanyl)phenyl]-10-methyl-undecan-5-yl]-5-[(2S,7R)-7-fluoranyl-2-methyl-undecyl]benzene-1,3-diol, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Wang, H.Q, Wei, Z, Xiang, Z. | | Deposit date: | 2021-07-29 | | Release date: | 2022-02-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | Structural Basis for the Friedel-Crafts Alkylation in Cylindrocyclophane Biosynthesis
ACS Catal., 12, 2022
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7FH6
 | | Friedel-Crafts alkylation enzyme CylK | | Descriptor: | CALCIUM ION, CHLORIDE ION, CylK, ... | | Authors: | Liu, L, Wang, H.Q, Xiang, Z. | | Deposit date: | 2021-07-29 | | Release date: | 2022-02-16 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural Basis for the Friedel-Crafts Alkylation in Cylindrocyclophane Biosynthesis
ACS Catal., 12, 2022
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6IGB
 | | the structure of Pseudomonas aeruginosa Periplasmic gluconolactonase, PpgL | | Descriptor: | ACETATE ION, Periplasmic gluconolactonase, PpgL, ... | | Authors: | Song, Y.J, Shen, Y.L, Wang, K.L, Li, T, Zhu, Y.B, Li, C.C, He, L.H, Zhao, N.L, Zhao, C, Yang, J, Huang, Q, Mu, X.Y. | | Deposit date: | 2018-09-25 | | Release date: | 2018-11-21 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.651 Å) | | Cite: | Structural and Functional Insights into PpgL, a Metal-Independent beta-Propeller Gluconolactonase That Contributes toPseudomonas aeruginosaVirulence.
Infect.Immun., 87, 2019
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6M08
 | | Crystal structure of Lp-PLA2 in complex with a novel covalent inhibitor. | | Descriptor: | (2S)-2-[(Z)-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid, Platelet-activating factor acetylhydrolase | | Authors: | Hu, H.C, Xu, Y.C. | | Deposit date: | 2020-02-20 | | Release date: | 2020-12-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Identification of Highly Selective Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Inhibitors by a Covalent Fragment-Based Approach.
J.Med.Chem., 63, 2020
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6M07
 | | Crystal structure of Lp-PLA2 in complex with a novel covalent inhibitor | | Descriptor: | (2S)-2-[(E)-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)-2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]phenyl]methyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid, Platelet-activating factor acetylhydrolase | | Authors: | Hu, H.C, Xu, Y.C. | | Deposit date: | 2020-02-20 | | Release date: | 2020-12-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Identification of Highly Selective Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Inhibitors by a Covalent Fragment-Based Approach.
J.Med.Chem., 63, 2020
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6M06
 | | Crystal structure of Lp-PLA2 in complex with a novel covalent inhibitor | | Descriptor: | (2S)-2-[(Z)-1,3-bis(oxidanyl)-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid, Platelet-activating factor acetylhydrolase | | Authors: | Hu, H.C, Xu, Y.C. | | Deposit date: | 2020-02-20 | | Release date: | 2020-12-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Identification of Highly Selective Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Inhibitors by a Covalent Fragment-Based Approach.
J.Med.Chem., 63, 2020
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5ZFJ
 | | Crystal structure of a cyclase Filc from Fischerella sp. in complex with 4-(1H-Indol-3-yl)butan-2-one | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(1~{H}-indol-3-yl)butan-2-one, CALCIUM ION, ... | | Authors: | Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2018-03-06 | | Release date: | 2018-12-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
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7F3P
 | | Crystal structure of a nadp-dependent alcohol dehydrogenase mutant in apo form | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADP-dependent isopropanol dehydrogenase, ZINC ION | | Authors: | Han, X, Bi, Y, Wei, H.L, Gao, J, Li, Q, Qu, G, Sun, Z.T, Liu, W.D. | | Deposit date: | 2021-06-16 | | Release date: | 2021-10-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Unlocking the Stereoselectivity and Substrate Acceptance of Enzymes: Proline-Induced Loop Engineering Test.
Angew.Chem.Int.Ed.Engl., 61, 2022
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7BU9
 | | Crystal Structure of Spindlin1-H3(K4me3-K9me2) complex | | Descriptor: | H3(K4me3-K9me2) peptide, Spindlin-1 | | Authors: | Zhao, F, Li, H. | | Deposit date: | 2020-04-05 | | Release date: | 2020-10-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.502 Å) | | Cite: | Molecular basis for histone H3 "K4me3-K9me3/2" methylation pattern readout by Spindlin1.
J.Biol.Chem., 295, 2020
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7BQZ
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5YVK
 | | Crystal structure of a cyclase Famc1 from Fischerella ambigua UTEX 1903 | | Descriptor: | CALCIUM ION, amino({3-[(3S,8aS)-1,4-dioxooctahydropyrrolo[1,2-a]pyrazin-3-yl]propyl}amino)methaniminium, cyclase | | Authors: | Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2017-11-26 | | Release date: | 2018-11-07 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.292 Å) | | Cite: | The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
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5Z54
 | | Crystal structure of a cyclase Hpiu5 from Fischerella sp. ATCC 43239 in complex with cyclo-L-Arg-D-Pro | | Descriptor: | 12-epi-hapalindole C/U synthase, CALCIUM ION, amino({3-[(3S,8aS)-1,4-dioxooctahydropyrrolo[1,2-a]pyrazin-3-yl]propyl}amino)methaniminium | | Authors: | Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2018-01-17 | | Release date: | 2018-12-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
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5YVP
 | | Crystal structure of an apo form cyclase Filc1 from Fischerella sp. TAU | | Descriptor: | CALCIUM ION, TETRAETHYLENE GLYCOL, cyclase A | | Authors: | Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2017-11-27 | | Release date: | 2018-11-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.051 Å) | | Cite: | The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
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5Z53
 | | Crystal structure of a cyclase Filc from Fischerella sp. in complex with cyclo-L-Arg-D-Pro | | Descriptor: | 12-epi-hapalindole U synthase, CALCIUM ION, SULFATE ION, ... | | Authors: | Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2018-01-16 | | Release date: | 2018-12-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
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5YVL
 | | Crystal structure of a cyclase Hpiu5 from Fischerella sp. ATCC 43239 | | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, CALCIUM ION, cyclase | | Authors: | Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2017-11-26 | | Release date: | 2018-11-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.059 Å) | | Cite: | The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
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6A98
 | | Crystal structure of a cyclase from Fischerella sp. TAU | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, aromatic prenyltransferase, ... | | Authors: | Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2018-07-12 | | Release date: | 2018-12-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
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6A8X
 | | Crystal structure of a apo form cyclase from Fischerella sp. | | Descriptor: | CALCIUM ION, aromatic prenyltransferase | | Authors: | Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2018-07-11 | | Release date: | 2018-12-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
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