7VFC
 
 | | Crystal structure of cPMO2 | | Descriptor: | COPPER (II) ION, DI(HYDROXYETHYL)ETHER, cPMO2 | | Authors: | Liu, D. | | Deposit date: | 2021-09-12 | | Release date: | 2022-09-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | Crystal structure of cPMO2
To Be Published
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4FZ3
 | | Crystal structure of SIRT3 in complex with acetyl p53 peptide coupled with 4-amino-7-methylcoumarin | | Descriptor: | NAD-dependent protein deacetylase sirtuin-3, mitochondrial, ZINC ION, ... | | Authors: | Liu, D, Wu, J, Zhang, D, Chen, K, Jiang, H, Liu, H. | | Deposit date: | 2012-07-06 | | Release date: | 2013-03-20 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery and Mechanism Study of SIRT1 Activators that Promote the Deacetylation of Fluorophore-Labeled Substrate
J.Med.Chem., 56, 2013
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2F3W
 | | solution structure of 1-110 fragment of staphylococcal nuclease in 2M TMAO | | Descriptor: | Thermonuclease | | Authors: | Liu, D, Xie, T, Feng, Y, Shan, L, Ye, K, Wang, J. | | Deposit date: | 2005-11-22 | | Release date: | 2006-12-05 | | Last modified: | 2022-03-09 | | Method: | SOLUTION NMR | | Cite: | Folding stability and cooperativity of the three forms of 1-110 residues fragment of staphylococcal nuclease
Biophys.J., 92, 2007
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2F3V
 | | Solution structure of 1-110 fragment of staphylococcal nuclease with V66W mutation | | Descriptor: | Thermonuclease | | Authors: | Liu, D, Xie, T, Feng, Y, Shan, L, Ye, K, Wang, J. | | Deposit date: | 2005-11-22 | | Release date: | 2006-12-05 | | Last modified: | 2021-11-10 | | Method: | SOLUTION NMR | | Cite: | Folding stability and cooperativity of the three forms of 1-110 residues fragment of staphylococcal nuclease
Biophys.J., 92, 2007
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6E5X
 | | Crystal structure of Ebola virus VP30 C-terminus/RBBP6 peptide complex | | Descriptor: | CALCIUM ION, E3 ubiquitin-protein ligase RBBP6, Minor nucleoprotein VP30 | | Authors: | Liu, D, Small, G.I, Leung, D.W, Amarasinghe, G.K. | | Deposit date: | 2018-07-23 | | Release date: | 2018-12-12 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Protein Interaction Mapping Identifies RBBP6 as a Negative Regulator of Ebola Virus Replication.
Cell, 175, 2018
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7R6N
 | | Exon-free state of the Tetrahymena group I intron, symmetry-expanded monomer from a synthetic trimeric construct | | Descriptor: | Group I intron, MAGNESIUM ION | | Authors: | Thelot, F, Liu, D, Liao, M, Yin, P. | | Deposit date: | 2021-06-22 | | Release date: | 2022-05-04 | | Last modified: | 2022-06-01 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Sub-3- angstrom cryo-EM structure of RNA enabled by engineered homomeric self-assembly.
Nat.Methods, 19, 2022
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7R6M
 | | Post-2S intermediate of the Tetrahymena group I intron, symmetry-expanded monomer from a synthetic dimeric construct | | Descriptor: | Group I intron, Ligated exon mimic of the Group I intron, MAGNESIUM ION | | Authors: | Thelot, F, Liu, D, Liao, M, Yin, P. | | Deposit date: | 2021-06-22 | | Release date: | 2022-05-04 | | Last modified: | 2022-06-01 | | Method: | ELECTRON MICROSCOPY (3.68 Å) | | Cite: | Sub-3- angstrom cryo-EM structure of RNA enabled by engineered homomeric self-assembly.
Nat.Methods, 19, 2022
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7R6L
 | | 5 prime exon-free pre-2S intermediate of the Tetrahymena group I intron, symmetry-expanded monomer from a synthetic dimeric construct | | Descriptor: | Group I intron, 3 prime fragment plus 3 prime exon, 5 prime fragment, ... | | Authors: | Thelot, F, Liu, D, Liao, M, Yin, P. | | Deposit date: | 2021-06-22 | | Release date: | 2022-05-04 | | Last modified: | 2022-06-01 | | Method: | ELECTRON MICROSCOPY (2.85 Å) | | Cite: | Sub-3- angstrom cryo-EM structure of RNA enabled by engineered homomeric self-assembly.
Nat.Methods, 19, 2022
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8V9M
 | | Human Ornithine Aminotransferase cocrystallized with its inhibitor, (R)-3-amino-5,5-difluorocyclohex-1-ene-1-carboxylic acid. | | Descriptor: | 3-fluoro-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]benzoic acid, GLYCEROL, Ornithine aminotransferase, ... | | Authors: | Vargas, A.L, Devitt, A, Kaley, N, Silverman, R, Liu, D. | | Deposit date: | 2023-12-08 | | Release date: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Design, Synthesis, and Mechanistic Studies of ( R )-3-Amino-5,5-difluorocyclohex-1-ene-1-carboxylic Acid as an Inactivator of Human Ornithine Aminotransferase.
Acs Chem.Biol., 2024
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4Y0I
 | | GABA-aminotransferase inactivated by conformationally-restricted inactivator | | Descriptor: | 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID, 4-aminobutyrate aminotransferase, mitochondrial, ... | | Authors: | Wu, R, Sanishvili, R, Lee, H.V, Dustin, D.H, Emma, D, Neil, K, Silverman, R.B, Liu, D. | | Deposit date: | 2015-02-06 | | Release date: | 2016-02-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.662 Å) | | Cite: | GABA-aminotransferase inactivated by conformationally-restricted inactivator
To Be Published
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6C2H
 | | Crystal Structures of Cystathionine beta-Synthase from Saccharomyces cerevisiae: the Structure of the Catalytic Core | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... | | Authors: | Kreinbring, C.A, Tu, Y, Liu, D, Petsko, G.A, Ringe, D. | | Deposit date: | 2018-01-08 | | Release date: | 2018-04-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Crystal Structures of Cystathionine beta-Synthase from Saccharomyces cerevisiae: One Enzymatic Step at a Time.
Biochemistry, 57, 2018
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6C4P
 | | Crystal Structures of Cystathionine beta-Synthase from Saccharomyces cerevisiae: the Structure of the PMP Complex | | Descriptor: | 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, CALCIUM ION, ... | | Authors: | Kreinbring, C.A, Tu, Y, Liu, D, Berkowitz, D.B, Petsko, G.A, Ringe, D. | | Deposit date: | 2018-01-12 | | Release date: | 2018-04-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structures of Cystathionine beta-Synthase from Saccharomyces cerevisiae: One Enzymatic Step at a Time.
Biochemistry, 57, 2018
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6QMR
 | | Complement factor D in complex with the inhibitor (S)-2-(2-((3'-(1-amino-2-hydroxyethyl)-[1,1'-biphenyl]-3-yl)methoxy)phenyl)acetic acid | | Descriptor: | 2-[2-[[3-[3-[(1~{S})-1-azanyl-2-oxidanyl-ethyl]phenyl]phenyl]methoxy]phenyl]ethanoic acid, Complement factor D | | Authors: | Karki, R, Powers, J, Mainolfi, N, Anderson, K, Belanger, D, Liu, D, Jendza, K, Gelin, C.F, Solovay, C, Mac Sweeeny, A, Delgado, O, Crowley, M, Liao, S.-M, Argikar, U.A, Flohr, S, La Bonte, L.R, Lorthiois, E.L, Vulpetti, A, Cumin, F, Brown, A, Adams, C, Jaffee, B, Mogi, M. | | Deposit date: | 2019-02-08 | | Release date: | 2019-04-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design, Synthesis, and Preclinical Characterization of Selective Factor D Inhibitors Targeting the Alternative Complement Pathway.
J.Med.Chem., 62, 2019
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6QMT
 | | Complement factor D in complex with the inhibitor 2-(2-(3'-(aminomethyl)-[1,1'-biphenyl]-3-carboxamido)phenyl)acetic acid | | Descriptor: | 2-[2-[[3-[3-(aminomethyl)phenyl]phenyl]carbonylamino]phenyl]ethanoic acid, Complement factor D | | Authors: | Karki, R, Powers, J, Mainolfi, N, Anderson, K, Belanger, D, Liu, D, Jendza, K, Gelin, C.F, Solovay, C, Mac Sweeeny, A, Delgado, O, Crowley, M, Liao, S.-M, Argikar, U.A, Flohr, S, La Bonte, L.R, Lorthiois, E.L, Vulpetti, A, Cumin, F, Brown, A, Adams, C, Jaffee, B, Mogi, M. | | Deposit date: | 2019-02-08 | | Release date: | 2019-04-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Design, Synthesis, and Preclinical Characterization of Selective Factor D Inhibitors Targeting the Alternative Complement Pathway.
J.Med.Chem., 62, 2019
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6P0K
 | | Crystal structure of GDP-bound human RalA in a covalent complex with aryl sulfonyl fluoride compounds. | | Descriptor: | 4-[(6-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Bum-Erdene, K, Gonzalez-Gutierrez, G, Liu, D, Ghozayel, M.K, Xu, D, Meroueh, S.O. | | Deposit date: | 2019-05-17 | | Release date: | 2020-03-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Small-molecule covalent bond formation at tyrosine creates a binding site and inhibits activation of Ral GTPases.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6P0O
 | | Crystal structure of GDP-bound human RalA | | Descriptor: | CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, Ras-related protein Ral-A | | Authors: | Bum-Erdene, K, Gonzalez-Gutierrez, G, Liu, D, Ghozayel, M.K, Xu, D, Meroueh, S.O. | | Deposit date: | 2019-05-17 | | Release date: | 2020-03-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Small-molecule covalent bond formation at tyrosine creates a binding site and inhibits activation of Ral GTPases.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6P0N
 | | Crystal structure of GDP-bound human RalA in a covalent complex with aryl sulfonyl fluoride compounds. | | Descriptor: | 4-[(6-fluoropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Bum-Erdene, K, Gonzalez-Gutierrez, G, Liu, D, Ghozayel, M.K, Xu, D, Meroueh, S.O. | | Deposit date: | 2019-05-17 | | Release date: | 2020-03-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Small-molecule covalent bond formation at tyrosine creates a binding site and inhibits activation of Ral GTPases.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6P0M
 | | Crystal structure of GDP-bound human RalA in a covalent complex with aryl sulfonyl fluoride compounds. | | Descriptor: | 4-[(3-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Bum-Erdene, K, Gonzalez-Gutierrez, G, Liu, D, Ghozayel, M.K, Xu, D, Meroueh, S.O. | | Deposit date: | 2019-05-17 | | Release date: | 2020-03-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Small-molecule covalent bond formation at tyrosine creates a binding site and inhibits activation of Ral GTPases.
Proc.Natl.Acad.Sci.USA, 117, 2020
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1F33
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1F30
 | | THE STRUCTURAL BASIS FOR DNA PROTECTION BY E. COLI DPS PROTEIN | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA PROTECTION DURING STARVATION PROTEIN, ZINC ION | | Authors: | Luo, J, Liu, D, White, M.A, Fox, R.O. | | Deposit date: | 2000-05-31 | | Release date: | 2003-06-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | The Structural Basis for DNA Protection by E. coli Dps Protein
To be Published
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6P0I
 | | Crystal structure of GDP-bound human RalA in a covalent complex with aryl sulfonyl fluoride compounds. | | Descriptor: | 1,2-ETHANEDIOL, 4-[(5-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid, ACETATE ION, ... | | Authors: | Bum-Erdene, K, Gonzalez-Gutierrez, G, Liu, D, Ghozayel, M.K, Xu, D, Meroueh, S.O. | | Deposit date: | 2019-05-17 | | Release date: | 2020-03-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | Small-molecule covalent bond formation at tyrosine creates a binding site and inhibits activation of Ral GTPases.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6P0L
 | | Crystal structure of GDP-bound human RalA in a covalent complex with aryl sulfonyl fluoride compounds. | | Descriptor: | 4-[(2-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Bum-Erdene, K, Gonzalez-Gutierrez, G, Liu, D, Ghozayel, M.K, Xu, D, Meroueh, S.O. | | Deposit date: | 2019-05-17 | | Release date: | 2020-03-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Small-molecule covalent bond formation at tyrosine creates a binding site and inhibits activation of Ral GTPases.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6P0J
 | | Crystal structure of GDP-bound human RalA | | Descriptor: | CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, Ras-related protein Ral-A | | Authors: | Bum-Erdene, K, Gonzalez-Gutierrez, G, Liu, D, Meroueh, S.O. | | Deposit date: | 2019-05-17 | | Release date: | 2020-03-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Small-molecule covalent bond formation at tyrosine creates a binding site and inhibits activation of Ral GTPases.
Proc.Natl.Acad.Sci.USA, 117, 2020
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5VEW
 | | Structure of the human GLP-1 receptor complex with PF-06372222 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Glucagon-like peptide 1 receptor,Endolysin chimera, N-{4-[(R)-(3,3-dimethylcyclobutyl)({6-[4-(trifluoromethyl)-1H-imidazol-1-yl]pyridin-3-yl}amino)methyl]benzene-1-carbonyl}-beta-alanine, ... | | Authors: | Song, G, Yang, D, Wang, Y, Graaf, C.D, Zhou, Q, Jiang, S, Liu, K, Cai, X, Dai, A, Lin, G, Liu, D, Wu, F, Wu, Y, Zhao, S, Ye, L, Han, G.W, Lau, J, Wu, B, Hanson, M.A, Liu, Z.-J, Wang, M.-W, Stevens, R.C. | | Deposit date: | 2017-04-05 | | Release date: | 2017-05-24 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Human GLP-1 receptor transmembrane domain structure in complex with allosteric modulators.
Nature, 546, 2017
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5VEX
 | | Structure of the human GLP-1 receptor complex with NNC0640 | | Descriptor: | 4-{[(4-cyclohexylphenyl){[3-(methylsulfonyl)phenyl]carbamoyl}amino]methyl}-N-(1H-tetrazol-5-yl)benzamide, Glucagon-like peptide 1 receptor, Endolysin chimera | | Authors: | Song, G, Yang, D, Wang, Y, Graaf, C.D, Zhou, Q, Jiang, S, Liu, K, Cai, X, Dai, A, Lin, G, Liu, D, Wu, F, Wu, Y, Zhao, S, Ye, L, Han, G.W, Lau, J, Wu, B, Hanson, M.A, Liu, Z.-J, Wang, M.-W, Stevens, R.C. | | Deposit date: | 2017-04-05 | | Release date: | 2017-05-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Human GLP-1 receptor transmembrane domain structure in complex with allosteric modulators.
Nature, 546, 2017
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