4G2L
 
 | | Human PDE9 in complex with selective compound | | Descriptor: | 1-cyclopentyl-6-{(1R)-1-[3-(pyrimidin-2-yl)azetidin-1-yl]ethyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | | Authors: | Liu, S. | | Deposit date: | 2012-07-12 | | Release date: | 2013-05-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Application of structure-based drug design and parallel chemistry to identify selective, brain penetrant, in vivo active phosphodiesterase 9A inhibitors.
J.Med.Chem., 55, 2012
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4G2J
 | | Human pde9 in complex with selective compound | | Descriptor: | 1-cyclopentyl-6-[(1R)-1-(3-phenoxyazetidin-1-yl)ethyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | | Authors: | Liu, S. | | Deposit date: | 2012-07-12 | | Release date: | 2013-05-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Application of structure-based drug design and parallel chemistry to identify selective, brain penetrant, in vivo active phosphodiesterase 9A inhibitors.
J.Med.Chem., 55, 2012
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7X51
 | | Crystal structure of Bacteroides thetaiotaomicron glutamate decarboxylase BTGAD-PLP-GUA complex | | Descriptor: | GLUTARIC ACID, Glutamate decarboxylase, MALONATE ION, ... | | Authors: | Liu, S, Du, G, Wang, L, Wen, B, Xin, F. | | Deposit date: | 2022-03-03 | | Release date: | 2023-04-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Coordinated regulation of Bacteroides thetaiotaomicron glutamate decarboxylase activity by multiple elements under different pH.
Food Chem, 403, 2023
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7X4Y
 | | Crystal structure of Bacteroides thetaiotaomicron glutamate decarboxylase BTGAD-PLP-GABA complex | | Descriptor: | GAMMA-AMINO-BUTANOIC ACID, Glutamate decarboxylase, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Liu, S, Du, G, Wang, Y, Wen, B, Xin, F. | | Deposit date: | 2022-03-03 | | Release date: | 2023-04-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Coordinated regulation of Bacteroides thetaiotaomicron glutamate decarboxylase activity by multiple elements under different pH.
Food Chem, 403, 2023
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7X52
 | | Crystal structure of Bacteroides thetaiotaomicron glutamate decarboxylase BTGAD-PLP complex | | Descriptor: | ACETATE ION, Glutamate decarboxylase, MALONATE ION, ... | | Authors: | Liu, S, Du, G, Wang, Y, Wen, B, Xin, F. | | Deposit date: | 2022-03-03 | | Release date: | 2023-04-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Coordinated regulation of Bacteroides thetaiotaomicron glutamate decarboxylase activity by multiple elements under different pH.
Food Chem, 403, 2023
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7WUB
 | | Cryo-EM structure of dodecamer P97 | | Descriptor: | 3-[3-cyclopentylsulfanyl-5-[[3-methyl-4-(4-methylsulfonylphenyl)phenoxy]methyl]-1,2,4-triazol-4-yl]pyridine, ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | | Authors: | Liu, S, Wang, T. | | Deposit date: | 2022-02-08 | | Release date: | 2022-03-23 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Cryo-EM structure of dodecamer P97 at 2.99 Angstroms resolution
To Be Published
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7X4R
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8ZFL
 | | Caenorhabditis elegans ACR-23 in apo state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Betaine receptor acr-23,Soluble cytochrome b562 | | Authors: | Chen, Q.F, Liu, F.L, Li, T.Y, Gong, H.H, Guo, F, Liu, S. | | Deposit date: | 2024-05-08 | | Release date: | 2024-07-31 | | Method: | ELECTRON MICROSCOPY (2.61 Å) | | Cite: | Structural basis of acetylcholine receptor like-23 (ACR-23) activation by anthelmintics monepantel and betaine
To Be Published
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8ZFM
 | | Caenorhabditis elegans ACR-23 in betaine bound state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Betaine receptor acr-23,Soluble cytochrome b562, ... | | Authors: | Chen, Q.F, Liu, F.L, Li, T.Y, Gong, H.H, Guo, F, Liu, S. | | Deposit date: | 2024-05-08 | | Release date: | 2024-07-31 | | Method: | ELECTRON MICROSCOPY (2.96 Å) | | Cite: | Structural basis of acetylcholine receptor like-23 (ACR-23) activation by anthelmintics monepantel and betaine
To Be Published
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8OW8
 | | Crystal Structure of the Catalytic Domain of a Botulinum Neurotoxin Homologue from Enterococcus faecium | | Descriptor: | 1,2-ETHANEDIOL, Botulinum-like toxin eBoNT/J light chain, PHOSPHATE ION, ... | | Authors: | Gregory, K.S, Acharya, K.R, Liu, S.M. | | Deposit date: | 2023-04-27 | | Release date: | 2023-08-30 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of the Catalytic Domain of a Botulinum Neurotoxin Homologue from Enterococcus faecium : Potential Insights into Substrate Recognition.
Int J Mol Sci, 24, 2023
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5JJU
 | | Crystal structure of Rv2837c complexed with 5'-pApA and 5'-AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, MANGANESE (II) ION, RNA (5'-R(P*AP*A)-3'), ... | | Authors: | Wang, F, He, Q, Liu, S, Gu, L. | | Deposit date: | 2016-04-25 | | Release date: | 2016-05-04 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.312 Å) | | Cite: | Structural and biochemical insight into the mechanism of Rv2837c from Mycobacterium tuberculosis as a c-di-NMP phosphodiesterase
J.Biol.Chem., 291, 2016
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5JCE
 | | Crystal structure of OsCEBiP complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitin elicitor-binding protein | | Authors: | Chai, J.J, Liu, S.M, Wang, J.Z. | | Deposit date: | 2016-04-15 | | Release date: | 2016-06-08 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Molecular Mechanism for Fungal Cell Wall Recognition by Rice Chitin Receptor OsCEBiP
Structure, 24, 2016
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6VRA
 | | Anthrax octamer prechannel bound to full-length edema factor | | Descriptor: | CALCIUM ION, Calmodulin-sensitive adenylate cyclase, Protective antigen | | Authors: | Zhou, K, Hardenbrook, N.J, Liu, S, Cui, Y.X, Krantz, B.A, Zhou, Z.H. | | Deposit date: | 2020-02-07 | | Release date: | 2020-12-16 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Atomic Structures of Anthrax Prechannel Bound with Full-Length Lethal and Edema Factors.
Structure, 28, 2020
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5XKD
 | | Crystal structure of dibenzothiophene sulfone monooxygenase BdsA in complex with FMN at 2.4 angstrom | | Descriptor: | Dibenzothiophene desulfurization enzyme A, FLAVIN MONONUCLEOTIDE | | Authors: | Gu, L, Su, T, Liu, S, Su, J. | | Deposit date: | 2017-05-07 | | Release date: | 2018-05-09 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.393 Å) | | Cite: | Structural and Biochemical Characterization of BdsA fromBacillus subtilisWU-S2B, a Key Enzyme in the "4S" Desulfurization Pathway.
Front Microbiol, 9, 2018
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5XKC
 | | Crystal structure of dibenzothiophene sulfone monooxygenase BdsA at 2.2 angstrome | | Descriptor: | Dibenzothiophene desulfurization enzyme A | | Authors: | Gu, L, Su, T, Liu, S, Su, J. | | Deposit date: | 2017-05-07 | | Release date: | 2018-05-09 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.209 Å) | | Cite: | Structural and Biochemical Characterization of BdsA fromBacillus subtilisWU-S2B, a Key Enzyme in the "4S" Desulfurization Pathway.
Front Microbiol, 9, 2018
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4WXW
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6ZNS
 | | Crystal Structure of DUF1998 helicase MrfA | | Descriptor: | Uncharacterized ATP-dependent helicase YprA, ZINC ION | | Authors: | Roske, J.J, Liu, S, Loll, B, Neu, U, Wahl, M.C. | | Deposit date: | 2020-07-06 | | Release date: | 2020-11-25 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.32 Å) | | Cite: | A skipping rope translocation mechanism in a widespread family of DNA repair helicases.
Nucleic Acids Res., 49, 2021
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6ZNP
 | | Crystal Structure of DUF1998 helicase MrfA bound to DNA | | Descriptor: | CITRIC ACID, Uncharacterized ATP-dependent helicase YprA, ZINC ION, ... | | Authors: | Roske, J.J, Liu, S, Loll, B, Neu, U, Wahl, M.C. | | Deposit date: | 2020-07-06 | | Release date: | 2020-11-25 | | Last modified: | 2021-01-20 | | Method: | X-RAY DIFFRACTION (3.16 Å) | | Cite: | A skipping rope translocation mechanism in a widespread family of DNA repair helicases.
Nucleic Acids Res., 49, 2021
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6ZNQ
 | | Crystal Structure of DUF1998 helicase MrfA bound to DNA and AMPPNP | | Descriptor: | CITRIC ACID, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Uncharacterized ATP-dependent helicase YprA, ... | | Authors: | Roske, J.J, Liu, S, Loll, B, Neu, U, Wahl, M.C. | | Deposit date: | 2020-07-06 | | Release date: | 2020-11-25 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.34 Å) | | Cite: | A skipping rope translocation mechanism in a widespread family of DNA repair helicases.
Nucleic Acids Res., 49, 2021
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4WXO
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7SLQ
 | | Cryo-EM structure of 7SK core RNP with circular RNA | | Descriptor: | 7SK snRNA methylphosphate capping enzyme, La-related protein 7, Minimal circular 7SK RNA, ... | | Authors: | Yang, Y, Liu, S, Zhou, Z.H, Feigon, J. | | Deposit date: | 2021-10-24 | | Release date: | 2022-03-30 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structural basis of RNA conformational switching in the transcriptional regulator 7SK RNP.
Mol.Cell, 82, 2022
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7SLP
 | | Cryo-EM structure of 7SK core RNP with linear RNA | | Descriptor: | 7SK snRNA methylphosphate capping enzyme, La-related protein 7, Linear 7SK RNA, ... | | Authors: | Yang, Y, Liu, S, Zhou, Z.H, Feigon, J. | | Deposit date: | 2021-10-24 | | Release date: | 2022-03-30 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Structural basis of RNA conformational switching in the transcriptional regulator 7SK RNP.
Mol.Cell, 82, 2022
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4WUY
 | | Crystal Structure of Protein Lysine Methyltransferase SMYD2 in complex with LLY-507, a Cell-Active, Potent and Selective Inhibitor | | Descriptor: | 5-cyano-2'-{4-[2-(3-methyl-1H-indol-1-yl)ethyl]piperazin-1-yl}-N-[3-(pyrrolidin-1-yl)propyl]biphenyl-3-carboxamide, GLYCEROL, N-lysine methyltransferase SMYD2, ... | | Authors: | Nguyen, H, Allali-Hassani, A, Antonysamy, S, Chang, S, Chen, L.H, Curtis, C, Emtage, S, Fan, L, Gheyi, T, Li, F, Liu, S, Martin, J.R, Mendel, D, Olsen, J.B, Pelletier, L, Shatseva, T, Wu, S, Zhang, F.F, Arrowsmith, C.H, Brown, P.J, Campbell, R.M, Garcia, B.A, Barsyte-Lovejoy, D, Mader, M, Vedadi, M. | | Deposit date: | 2014-11-04 | | Release date: | 2015-04-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | LLY-507, a Cell-active, Potent, and Selective Inhibitor of Protein-lysine Methyltransferase SMYD2.
J.Biol.Chem., 290, 2015
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4WHW
 | | Direct photocapture of bromodomains using tropolone chemical probes | | Descriptor: | 1,2-ETHANEDIOL, 2-methoxy-4-{1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1H-benzimidazol-5-yl}cyclohepta-2,4,6-trien-1-one, Bromodomain-containing protein 4 | | Authors: | Hett, E.C, Piatnitski Chekler, E.L, Basak, A, Bonin, P.D, Denny, R.A, Flick, A.C, Geoghegan, K.F, Liu, S, Pletcher, M.T, Robinson, R.P, Sahasrabudhe, P, Salter, S, Stock, I.A, Jones, L.H. | | Deposit date: | 2014-09-23 | | Release date: | 2015-10-28 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.345 Å) | | Cite: | Direct photocapture of bromodomains using tropolone chemical probes
To Be Published
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4WXM
 | | FleQ REC domain from Pseudomonas aeruginosa PAO1 | | Descriptor: | Transcriptional regulator FleQ | | Authors: | Su, T, Liu, S, Gu, L. | | Deposit date: | 2014-11-14 | | Release date: | 2015-09-23 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The REC domain mediated dimerization is critical for FleQ from Pseudomonas aeruginosa to function as a c-di-GMP receptor and flagella gene regulator
J.Struct.Biol., 192, 2015
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