7WH5
 
 | | Crystal structure of human ClpP in complex with ZG180 | | Descriptor: | (6S,9aS)-6-[(2S)-butan-2-yl]-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-N-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit, mitochondrial, ... | | Authors: | Wei, B.Y, Gan, J.H, Yang, C.-G. | | Deposit date: | 2021-12-29 | | Release date: | 2022-11-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Anti-infective therapy using species-specific activators of Staphylococcus aureus ClpP.
Nat Commun, 13, 2022
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7XBZ
 | | Crystal structure of Staphylococcus aureus ClpP in complex with R-ZG197 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (6S,9aS)-6-[(2S)-butan-2-yl]-8-[(1R)-1-naphthalen-1-ylethyl]-4,7-bis(oxidanylidene)-N-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit, ... | | Authors: | Wei, B.Y, Gan, J.H, Yang, C.-G. | | Deposit date: | 2022-03-22 | | Release date: | 2022-11-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Anti-infective therapy using species-specific activators of Staphylococcus aureus ClpP.
Nat Commun, 13, 2022
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6KXA
 | | Galectin-3 CRD binds to GalA dimer | | Descriptor: | Galectin-3, alpha-D-galactopyranuronic acid-(1-4)-beta-D-galactopyranuronic acid | | Authors: | Su, J. | | Deposit date: | 2019-09-10 | | Release date: | 2020-08-26 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.23 Å) | | Cite: | Topsy-turvy binding of negatively charged homogalacturonan oligosaccharides to galectin-3.
Glycobiology, 31, 2021
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7KWU
 | | Crystal Structure of HIV-1 RT in Complex with 16c (K07-15) | | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)-5-(pyridin-4-yl)pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzamide, MAGNESIUM ION, ... | | Authors: | Ruiz, F.X, Arnold, E. | | Deposit date: | 2020-12-02 | | Release date: | 2021-03-31 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | 2,4,5-Trisubstituted Pyrimidines as Potent HIV-1 NNRTIs: Rational Design, Synthesis, Activity Evaluation, and Crystallographic Studies.
J.Med.Chem., 64, 2021
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7L28
 | | Crystal structure of the catalytic domain of human PDE3A bound to Trequinsin | | Descriptor: | (2E)-9,10-dimethoxy-3-methyl-2-[(2,4,6-trimethylphenyl)imino]-2,3,6,7-tetrahydro-4H-pyrimido[6,1-a]isoquinolin-4-one, ACETATE ION, MAGNESIUM ION, ... | | Authors: | Horner, S.W, Garvie, C. | | Deposit date: | 2020-12-16 | | Release date: | 2021-06-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of PDE3A-SLFN12 complex reveals requirements for activation of SLFN12 RNase.
Nat Commun, 12, 2021
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7L29
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7L27
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7KWE
 | | Crystal structure of the catalytic domain of human PDE3A bound to DNMDP | | Descriptor: | (4~{R})-3-[4-(diethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]-4-methyl-4,5-dihydro-1~{H}-pyridazin-6-one, ACETATE ION, MAGNESIUM ION, ... | | Authors: | Horner, S.W, Garvie, C. | | Deposit date: | 2020-11-30 | | Release date: | 2021-06-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of PDE3A-SLFN12 complex reveals requirements for activation of SLFN12 RNase.
Nat Commun, 12, 2021
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5WQA
 | | Crystal structure of PDE4D catalytic domain complexed with Selaginpulvilins K | | Descriptor: | 1-[2-(4-hydroxyphenyl)ethynyl]-9,9-bis(4-methoxyphenyl)-7-oxidanyl-fluorene-2-carbaldehyde, MAGNESIUM ION, ZINC ION, ... | | Authors: | Huang, Y, Zhang, T, Zheng, X, Yin, S, Luo, H.B. | | Deposit date: | 2016-11-24 | | Release date: | 2017-02-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The discovery, complex crystal structure, and recognition mechanism of a novel natural PDE4 inhibitor from Selaginella pulvinata
Biochem. Pharmacol., 130, 2017
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7VRA
 | | The crystal structure of EGFR T790M/C797S with the inhibitor HC5476 | | Descriptor: | 25-chloro-11-(ethylsulfonyl)-44-morpholino-11H-5,12-dioxa-3-aza-1(3,6)-indola-2(4,2)-pyrimidina-4(1,3)-benzenacyclododecaphane, Epidermal growth factor receptor | | Authors: | Zhu, S.J. | | Deposit date: | 2021-10-22 | | Release date: | 2022-06-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Conformational Constrained 4-(1-Sulfonyl-3-indol)yl-2-phenylaminopyrimidine Derivatives as New Fourth-Generation Epidermal Growth Factor Receptor Inhibitors Targeting T790M/C797S Mutations.
J.Med.Chem., 65, 2022
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7VRE
 | | The crystal structure of EGFR T790M/C797S with the inhibitor HCD2892 | | Descriptor: | 5-chloranyl-N-[5-chloranyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-(1-ethylsulfonylindol-3-yl)pyrimidin-2-amine, Epidermal growth factor receptor | | Authors: | Zhu, S.J. | | Deposit date: | 2021-10-22 | | Release date: | 2022-06-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.507 Å) | | Cite: | Conformational Constrained 4-(1-Sulfonyl-3-indol)yl-2-phenylaminopyrimidine Derivatives as New Fourth-Generation Epidermal Growth Factor Receptor Inhibitors Targeting T790M/C797S Mutations.
J.Med.Chem., 65, 2022
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7XJP
 | | Cryo-EM structure of EDS1 and SAG101 with ATP-APDR | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ADENOSINE-5-DIPHOSPHORIBOSE, ISOPROPYL ALCOHOL, ... | | Authors: | Huang, S.J, Jia, A.L, Han, Z.F, Chai, J.J. | | Deposit date: | 2022-04-18 | | Release date: | 2022-07-20 | | Last modified: | 2022-08-10 | | Method: | ELECTRON MICROSCOPY (2.71 Å) | | Cite: | TIR-catalyzed ADP-ribosylation reactions produce signaling molecules for plant immunity.
Science, 377, 2022
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7WXG
 | | GPR domain closed form of Drosophila P5CS filament with glutamate, ATP, and NADPH | | Descriptor: | Delta-1-pyrroline-5-carboxylate synthase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Liu, J.L, Zhong, J, Guo, C.J, Zhou, X. | | Deposit date: | 2022-02-14 | | Release date: | 2022-03-30 | | Last modified: | 2022-04-06 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Structural basis of dynamic P5CS filaments.
Elife, 11, 2022
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7WXF
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7WXI
 | | GPR domain of Drosophila P5CS filament with glutamate and ATPgammaS | | Descriptor: | Delta-1-pyrroline-5-carboxylate synthase, GAMMA-GLUTAMYL PHOSPHATE | | Authors: | Liu, J.L, Zhong, J, Guo, C.J, Zhou, X. | | Deposit date: | 2022-02-14 | | Release date: | 2022-03-30 | | Last modified: | 2022-04-06 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Structural basis of dynamic P5CS filaments.
Elife, 11, 2022
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7WXH
 | | GPR domain open form of Drosophila P5CS filament with glutamate, ATP, and NADPH | | Descriptor: | Delta-1-pyrroline-5-carboxylate synthase | | Authors: | Liu, J.L, Zhong, J, Guo, C.J, Zhou, X. | | Deposit date: | 2022-02-14 | | Release date: | 2022-03-30 | | Last modified: | 2022-04-06 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Structural basis of dynamic P5CS filaments.
Elife, 11, 2022
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7WX4
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7WX3
 | | GK domain of Drosophila P5CS filament with glutamate, ATP, and NADPH | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Delta-1-pyrroline-5-carboxylate synthase, GAMMA-GLUTAMYL PHOSPHATE, ... | | Authors: | Liu, J.L, Zhong, J, Guo, C.J, Zhou, X. | | Deposit date: | 2022-02-14 | | Release date: | 2022-04-06 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural basis of dynamic P5CS filaments.
Elife, 11, 2022
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7XMU
 | | E.coli phosphoribosylpyrophosphate (PRPP) synthetase type A filament bound with ADP, Pi and R5P | | Descriptor: | 5-O-phosphono-alpha-D-ribofuranose, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Hu, H.H, Lu, G.M, Chang, C.C, Liu, J.L. | | Deposit date: | 2022-04-26 | | Release date: | 2022-06-29 | | Last modified: | 2022-07-06 | | Method: | ELECTRON MICROSCOPY (2.3 Å) | | Cite: | Filamentation modulates allosteric regulation of PRPS.
Elife, 11, 2022
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7XN3
 | | E.coli phosphoribosylpyrophosphate (PRPP) synthetase type B filament bound with Pi | | Descriptor: | PHOSPHATE ION, Ribose-phosphate pyrophosphokinase | | Authors: | Hu, H.H, Lu, G.M, Chang, C.C, Liu, J.L. | | Deposit date: | 2022-04-27 | | Release date: | 2022-06-29 | | Last modified: | 2022-07-06 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Filamentation modulates allosteric regulation of PRPS.
Elife, 11, 2022
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7XMV
 | | E.coli phosphoribosylpyrophosphate (PRPP) synthetase type A(AMP/ADP) filament bound with ADP, AMP and R5P | | Descriptor: | 5-O-phosphono-alpha-D-ribofuranose, ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Hu, H.H, Lu, G.M, Chang, C.C, Liu, J.L. | | Deposit date: | 2022-04-27 | | Release date: | 2022-06-29 | | Last modified: | 2022-07-06 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Filamentation modulates allosteric regulation of PRPS.
Elife, 11, 2022
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7XA4
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7X9X
 | | Thermotoga Maritima ferritin variant-Tm-E(G40E) with Zn | | Descriptor: | FE (III) ION, Ferritin, ZINC ION | | Authors: | Liu, Y, Zhao, G. | | Deposit date: | 2022-03-16 | | Release date: | 2023-02-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Directed Self-Assembly of Dimeric Building Blocks into Networklike Protein Origami to Construct Hydrogels.
Acs Nano, 16, 2022
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7XA2
 | | Thermotoga maritima ferritin variant-Tm-E(S111H) | | Descriptor: | FE (III) ION, Ferritin | | Authors: | Liu, Y, Zhao, G. | | Deposit date: | 2022-03-16 | | Release date: | 2023-02-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Directed Self-Assembly of Dimeric Building Blocks into Networklike Protein Origami to Construct Hydrogels.
Acs Nano, 16, 2022
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7XOZ
 | | Crystal structure of RPPT-TIR | | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase | | Authors: | Song, W, Jia, A, Huang, S, Chai, J. | | Deposit date: | 2022-05-02 | | Release date: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | TIR-catalyzed ADP-ribosylation reactions produce signaling molecules for plant immunity.
Science, 377, 2022
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