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7VFC
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BU of 7vfc by Molmil
Crystal structure of cPMO2
分子名称: COPPER (II) ION, DI(HYDROXYETHYL)ETHER, cPMO2
著者Liu, D.
登録日2021-09-12
公開日2022-09-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Crystal structure of cPMO2
To Be Published
4FZ3
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BU of 4fz3 by Molmil
Crystal structure of SIRT3 in complex with acetyl p53 peptide coupled with 4-amino-7-methylcoumarin
分子名称: NAD-dependent protein deacetylase sirtuin-3, mitochondrial, ZINC ION, ...
著者Liu, D, Wu, J, Zhang, D, Chen, K, Jiang, H, Liu, H.
登録日2012-07-06
公開日2013-03-20
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery and Mechanism Study of SIRT1 Activators that Promote the Deacetylation of Fluorophore-Labeled Substrate
J.Med.Chem., 56, 2013
2F3W
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BU of 2f3w by Molmil
solution structure of 1-110 fragment of staphylococcal nuclease in 2M TMAO
分子名称: Thermonuclease
著者Liu, D, Xie, T, Feng, Y, Shan, L, Ye, K, Wang, J.
登録日2005-11-22
公開日2006-12-05
最終更新日2022-03-09
実験手法SOLUTION NMR
主引用文献Folding stability and cooperativity of the three forms of 1-110 residues fragment of staphylococcal nuclease
Biophys.J., 92, 2007
2F3V
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BU of 2f3v by Molmil
Solution structure of 1-110 fragment of staphylococcal nuclease with V66W mutation
分子名称: Thermonuclease
著者Liu, D, Xie, T, Feng, Y, Shan, L, Ye, K, Wang, J.
登録日2005-11-22
公開日2006-12-05
最終更新日2021-11-10
実験手法SOLUTION NMR
主引用文献Folding stability and cooperativity of the three forms of 1-110 residues fragment of staphylococcal nuclease
Biophys.J., 92, 2007
6E5X
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BU of 6e5x by Molmil
Crystal structure of Ebola virus VP30 C-terminus/RBBP6 peptide complex
分子名称: CALCIUM ION, E3 ubiquitin-protein ligase RBBP6, Minor nucleoprotein VP30
著者Liu, D, Small, G.I, Leung, D.W, Amarasinghe, G.K.
登録日2018-07-23
公開日2018-12-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Protein Interaction Mapping Identifies RBBP6 as a Negative Regulator of Ebola Virus Replication.
Cell, 175, 2018
7R6N
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BU of 7r6n by Molmil
Exon-free state of the Tetrahymena group I intron, symmetry-expanded monomer from a synthetic trimeric construct
分子名称: Group I intron, MAGNESIUM ION
著者Thelot, F, Liu, D, Liao, M, Yin, P.
登録日2021-06-22
公開日2022-05-04
最終更新日2022-06-01
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Sub-3- angstrom cryo-EM structure of RNA enabled by engineered homomeric self-assembly.
Nat.Methods, 19, 2022
7R6M
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BU of 7r6m by Molmil
Post-2S intermediate of the Tetrahymena group I intron, symmetry-expanded monomer from a synthetic dimeric construct
分子名称: Group I intron, Ligated exon mimic of the Group I intron, MAGNESIUM ION
著者Thelot, F, Liu, D, Liao, M, Yin, P.
登録日2021-06-22
公開日2022-05-04
最終更新日2022-06-01
実験手法ELECTRON MICROSCOPY (3.68 Å)
主引用文献Sub-3- angstrom cryo-EM structure of RNA enabled by engineered homomeric self-assembly.
Nat.Methods, 19, 2022
7R6L
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BU of 7r6l by Molmil
5 prime exon-free pre-2S intermediate of the Tetrahymena group I intron, symmetry-expanded monomer from a synthetic dimeric construct
分子名称: Group I intron, 3 prime fragment plus 3 prime exon, 5 prime fragment, ...
著者Thelot, F, Liu, D, Liao, M, Yin, P.
登録日2021-06-22
公開日2022-05-04
最終更新日2022-06-01
実験手法ELECTRON MICROSCOPY (2.85 Å)
主引用文献Sub-3- angstrom cryo-EM structure of RNA enabled by engineered homomeric self-assembly.
Nat.Methods, 19, 2022
8V9M
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BU of 8v9m by Molmil
Human Ornithine Aminotransferase cocrystallized with its inhibitor, (R)-3-amino-5,5-difluorocyclohex-1-ene-1-carboxylic acid.
分子名称: 3-fluoro-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]benzoic acid, GLYCEROL, Ornithine aminotransferase, ...
著者Vargas, A.L, Devitt, A, Kaley, N, Silverman, R, Liu, D.
登録日2023-12-08
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献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
4Y0I
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BU of 4y0i by Molmil
GABA-aminotransferase inactivated by conformationally-restricted inactivator
分子名称: 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID, 4-aminobutyrate aminotransferase, mitochondrial, ...
著者Wu, R, Sanishvili, R, Lee, H.V, Dustin, D.H, Emma, D, Neil, K, Silverman, R.B, Liu, D.
登録日2015-02-06
公開日2016-02-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.662 Å)
主引用文献GABA-aminotransferase inactivated by conformationally-restricted inactivator
To Be Published
6C2H
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BU of 6c2h by Molmil
Crystal Structures of Cystathionine beta-Synthase from Saccharomyces cerevisiae: the Structure of the Catalytic Core
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
著者Kreinbring, C.A, Tu, Y, Liu, D, Petsko, G.A, Ringe, D.
登録日2018-01-08
公開日2018-04-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Crystal Structures of Cystathionine beta-Synthase from Saccharomyces cerevisiae: One Enzymatic Step at a Time.
Biochemistry, 57, 2018
6C4P
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BU of 6c4p by Molmil
Crystal Structures of Cystathionine beta-Synthase from Saccharomyces cerevisiae: the Structure of the PMP Complex
分子名称: 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, CALCIUM ION, ...
著者Kreinbring, C.A, Tu, Y, Liu, D, Berkowitz, D.B, Petsko, G.A, Ringe, D.
登録日2018-01-12
公開日2018-04-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structures of Cystathionine beta-Synthase from Saccharomyces cerevisiae: One Enzymatic Step at a Time.
Biochemistry, 57, 2018
6QMR
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BU of 6qmr by Molmil
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
分子名称: 2-[2-[[3-[3-[(1~{S})-1-azanyl-2-oxidanyl-ethyl]phenyl]phenyl]methoxy]phenyl]ethanoic acid, Complement factor D
著者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.
登録日2019-02-08
公開日2019-04-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design, Synthesis, and Preclinical Characterization of Selective Factor D Inhibitors Targeting the Alternative Complement Pathway.
J.Med.Chem., 62, 2019
6QMT
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BU of 6qmt by Molmil
Complement factor D in complex with the inhibitor 2-(2-(3'-(aminomethyl)-[1,1'-biphenyl]-3-carboxamido)phenyl)acetic acid
分子名称: 2-[2-[[3-[3-(aminomethyl)phenyl]phenyl]carbonylamino]phenyl]ethanoic acid, Complement factor D
著者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.
登録日2019-02-08
公開日2019-04-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design, Synthesis, and Preclinical Characterization of Selective Factor D Inhibitors Targeting the Alternative Complement Pathway.
J.Med.Chem., 62, 2019
6P0K
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BU of 6p0k by Molmil
Crystal structure of GDP-bound human RalA in a covalent complex with aryl sulfonyl fluoride compounds.
分子名称: 4-[(6-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid, CALCIUM ION, CHLORIDE ION, ...
著者Bum-Erdene, K, Gonzalez-Gutierrez, G, Liu, D, Ghozayel, M.K, Xu, D, Meroueh, S.O.
登録日2019-05-17
公開日2020-03-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Small-molecule covalent bond formation at tyrosine creates a binding site and inhibits activation of Ral GTPases.
Proc.Natl.Acad.Sci.USA, 117, 2020
6P0O
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BU of 6p0o by Molmil
Crystal structure of GDP-bound human RalA
分子名称: CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, Ras-related protein Ral-A
著者Bum-Erdene, K, Gonzalez-Gutierrez, G, Liu, D, Ghozayel, M.K, Xu, D, Meroueh, S.O.
登録日2019-05-17
公開日2020-03-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Small-molecule covalent bond formation at tyrosine creates a binding site and inhibits activation of Ral GTPases.
Proc.Natl.Acad.Sci.USA, 117, 2020
6P0N
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BU of 6p0n by Molmil
Crystal structure of GDP-bound human RalA in a covalent complex with aryl sulfonyl fluoride compounds.
分子名称: 4-[(6-fluoropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid, CALCIUM ION, CHLORIDE ION, ...
著者Bum-Erdene, K, Gonzalez-Gutierrez, G, Liu, D, Ghozayel, M.K, Xu, D, Meroueh, S.O.
登録日2019-05-17
公開日2020-03-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Small-molecule covalent bond formation at tyrosine creates a binding site and inhibits activation of Ral GTPases.
Proc.Natl.Acad.Sci.USA, 117, 2020
6P0M
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BU of 6p0m by Molmil
Crystal structure of GDP-bound human RalA in a covalent complex with aryl sulfonyl fluoride compounds.
分子名称: 4-[(3-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid, CALCIUM ION, CHLORIDE ION, ...
著者Bum-Erdene, K, Gonzalez-Gutierrez, G, Liu, D, Ghozayel, M.K, Xu, D, Meroueh, S.O.
登録日2019-05-17
公開日2020-03-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Small-molecule covalent bond formation at tyrosine creates a binding site and inhibits activation of Ral GTPases.
Proc.Natl.Acad.Sci.USA, 117, 2020
1F33
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BU of 1f33 by Molmil
THE STRUCTURAL BASIS FOR DNA PROTECTION BY E. COLI DPS PROTEIN
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA PROTECTION DURING STARVATION PROTEIN
著者Luo, J, Liu, D, White, M.A, Fox, R.O.
登録日2000-05-31
公開日2003-06-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The Structural Basis for DNA Protection by E. coli Dps Protein
To be Published
1F30
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BU of 1f30 by Molmil
THE STRUCTURAL BASIS FOR DNA PROTECTION BY E. COLI DPS PROTEIN
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA PROTECTION DURING STARVATION PROTEIN, ZINC ION
著者Luo, J, Liu, D, White, M.A, Fox, R.O.
登録日2000-05-31
公開日2003-06-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献The Structural Basis for DNA Protection by E. coli Dps Protein
To be Published
6P0I
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BU of 6p0i by Molmil
Crystal structure of GDP-bound human RalA in a covalent complex with aryl sulfonyl fluoride compounds.
分子名称: 1,2-ETHANEDIOL, 4-[(5-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid, ACETATE ION, ...
著者Bum-Erdene, K, Gonzalez-Gutierrez, G, Liu, D, Ghozayel, M.K, Xu, D, Meroueh, S.O.
登録日2019-05-17
公開日2020-03-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Small-molecule covalent bond formation at tyrosine creates a binding site and inhibits activation of Ral GTPases.
Proc.Natl.Acad.Sci.USA, 117, 2020
6P0L
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Crystal structure of GDP-bound human RalA in a covalent complex with aryl sulfonyl fluoride compounds.
分子名称: 4-[(2-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
著者Bum-Erdene, K, Gonzalez-Gutierrez, G, Liu, D, Ghozayel, M.K, Xu, D, Meroueh, S.O.
登録日2019-05-17
公開日2020-03-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Small-molecule covalent bond formation at tyrosine creates a binding site and inhibits activation of Ral GTPases.
Proc.Natl.Acad.Sci.USA, 117, 2020
6P0J
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BU of 6p0j by Molmil
Crystal structure of GDP-bound human RalA
分子名称: CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, Ras-related protein Ral-A
著者Bum-Erdene, K, Gonzalez-Gutierrez, G, Liu, D, Meroueh, S.O.
登録日2019-05-17
公開日2020-03-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Small-molecule covalent bond formation at tyrosine creates a binding site and inhibits activation of Ral GTPases.
Proc.Natl.Acad.Sci.USA, 117, 2020
5VEW
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BU of 5vew by Molmil
Structure of the human GLP-1 receptor complex with PF-06372222
分子名称: (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, ...
著者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.
登録日2017-04-05
公開日2017-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Human GLP-1 receptor transmembrane domain structure in complex with allosteric modulators.
Nature, 546, 2017
5VEX
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BU of 5vex by Molmil
Structure of the human GLP-1 receptor complex with NNC0640
分子名称: 4-{[(4-cyclohexylphenyl){[3-(methylsulfonyl)phenyl]carbamoyl}amino]methyl}-N-(1H-tetrazol-5-yl)benzamide, Glucagon-like peptide 1 receptor, Endolysin chimera
著者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.
登録日2017-04-05
公開日2017-05-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Human GLP-1 receptor transmembrane domain structure in complex with allosteric modulators.
Nature, 546, 2017

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