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5BWN
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BU of 5bwn by Molmil
Crystal Structure of SIRT3 with a H3K9 Peptide Containing a Myristoyl Lysine
分子名称: NAD-dependent protein deacetylase sirtuin-3, mitochondrial, ZINC ION, ...
著者Gai, W, Liu, D.
登録日2015-06-08
公開日2016-07-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.942 Å)
主引用文献Crystal structures of SIRT3 reveal that the alpha 2-alpha 3 loop and alpha 3-helix affect the interaction with long-chain acyl lysine.
Febs Lett., 590, 2016
5BWO
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BU of 5bwo by Molmil
Crystal Structure of Human SIRT3 in Complex with a Palmitoyl H3K9 Peptide
分子名称: NAD-dependent protein deacetylase sirtuin-3, mitochondrial, PALMITIC ACID, ...
著者Gai, W, Jiang, H, Liu, D.
登録日2015-06-08
公開日2016-07-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.376 Å)
主引用文献Crystal structures of SIRT3 reveal that the alpha 2-alpha 3 loop and alpha 3-helix affect the interaction with long-chain acyl lysine.
Febs Lett., 590, 2016
5BWL
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BU of 5bwl by Molmil
Crystal Structure of SIRT5 in Complex with a Coumarin-Labelled Succinyl Peptide
分子名称: 7-AMINO-4-METHYL-CHROMEN-2-ONE, Coumarin-labelled succinyl peptide, NAD-dependent protein deacylase sirtuin-5, ...
著者Gai, W, Jiang, H, Liu, D.
登録日2015-06-08
公開日2016-07-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.548 Å)
主引用文献Crystal Structure of SIRT5 in Complex with a Coumarin-Labelled Succinyl Peptide
To be published
6M8H
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BU of 6m8h by Molmil
Crystal Structure of the R208Q mutant of G(i) subunit alpha-1
分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Guanine nucleotide-binding protein G(i) subunit alpha-1, MAGNESIUM ION
著者Mascarenhas, R, Goossens, J, Leverson, B, Kothawala, S, Ballicora, M, Olsen, K, de freitas, D, Liu, D.
登録日2018-08-21
公開日2019-08-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献FUNCTIONAL CONSEQUENCES OF ONCOGENIC MUTATIONS IN THE SWITCH II REGION OF Galphai1 and Galphas PROTEINS
To Be Published
4N0B
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BU of 4n0b by Molmil
Crystal structure of Bacillus subtilis GabR, an autorepressor and transcriptional activator of GabT
分子名称: ACETYL GROUP, CALCIUM ION, HTH-type transcriptional regulatory protein GabR, ...
著者Edayathumangalam, R, Wu, R, Garcia, R, Wang, Y, Wang, W, Kreinbring, C.A, Bach, A, Liao, J, Stone, T, Terwilliger, T, Hoang, Q.Q, Belitsky, B.R, Petsko, G.A, Ringe, D, Liu, D.
登録日2013-10-01
公開日2013-10-30
最終更新日2014-04-02
実験手法X-RAY DIFFRACTION (2.705 Å)
主引用文献Crystal structure of Bacillus subtilis GabR, an autorepressor and transcriptional activator of gabT.
Proc.Natl.Acad.Sci.USA, 110, 2013
6J8I
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BU of 6j8i by Molmil
Structure of human voltage-gated sodium channel Nav1.7 in complex with auxiliary beta subunits, ProTx-II and tetrodotoxin (Y1755 up)
分子名称: (1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-5,9,12,13,14-pentol (non-preferred name), 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Shen, H, Liu, D, Lei, J, Yan, N.
登録日2019-01-19
公開日2019-02-27
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structures of human Nav1.7 channel in complex with auxiliary subunits and animal toxins.
Science, 363, 2019
6J8G
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BU of 6j8g by Molmil
Structure of human voltage-gated sodium channel Nav1.7 in complex with auxiliary beta subunits, huwentoxin-IV and saxitoxin (Y1755 up)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sodium channel protein type 9 subunit alpha, ...
著者Shen, H, Liu, D, Lei, J, Yan, N.
登録日2019-01-19
公開日2019-02-27
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structures of human Nav1.7 channel in complex with auxiliary subunits and animal toxins.
Science, 363, 2019
6J8H
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BU of 6j8h by Molmil
Structure of human voltage-gated sodium channel Nav1.7 in complex with auxiliary beta subunits, huwentoxin-IV and saxitoxin (Y1755 down)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sodium channel protein type 9 subunit alpha, ...
著者Shen, H, Liu, D, Lei, J, Yan, N.
登録日2019-01-19
公開日2019-02-27
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structures of human Nav1.7 channel in complex with auxiliary subunits and animal toxins.
Science, 363, 2019
6J8J
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BU of 6j8j by Molmil
Structure of human voltage-gated sodium channel Nav1.7 in complex with auxiliary beta subunits, ProTx-II and tetrodotoxin (Y1755 down)
分子名称: (1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-5,9,12,13,14-pentol (non-preferred name), 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Shen, H, Liu, D, Lei, J, Yan, N.
登録日2019-01-19
公開日2019-02-27
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structures of human Nav1.7 channel in complex with auxiliary subunits and animal toxins.
Science, 363, 2019
4MGR
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BU of 4mgr by Molmil
The crystal structure of Bacillus subtilis GabR, an autorepressor and PLP- and GABA-dependent transcriptional activator of gabT
分子名称: ACETATE ION, HTH-type transcriptional regulatory protein GabR, IMIDAZOLE, ...
著者Wu, R, Edayathumangalam, R, Garcia, R, Wang, Y, Wang, W, Kreinbring, C.A, Bach, A, Liao, J, Stone, T, Terwilliger, T, Hoang, Q.Q, Belitsky, B.R, Petsko, G.A, Ringe, D, Liu, D.
登録日2013-08-28
公開日2013-10-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Crystal structure of Bacillus subtilis GabR, an autorepressor and transcriptional activator of gabT.
Proc.Natl.Acad.Sci.USA, 110, 2013
5UBQ
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BU of 5ubq by Molmil
Cryo-EM structure of ciliary microtubule doublet
分子名称: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Ichikawa, M, Liu, D, Kastritis, P.L, Basu, K, Bui, K.H.
登録日2016-12-21
公開日2017-05-10
最終更新日2020-01-15
実験手法ELECTRON MICROSCOPY (5.7 Å)
主引用文献Subnanometre-resolution structure of the doublet microtubule reveals new classes of microtubule-associated proteins.
Nat Commun, 8, 2017
5UCY
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BU of 5ucy by Molmil
Cryo-EM map of protofilament of microtubule doublet
分子名称: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Ichikawa, M, Liu, D, Kastritis, P.L, Basu, K, Bui, K.H.
登録日2016-12-22
公開日2017-05-10
最終更新日2020-01-15
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Subnanometre-resolution structure of the doublet microtubule reveals new classes of microtubule-associated proteins.
Nat Commun, 8, 2017
5W5R
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BU of 5w5r by Molmil
Agrobacterium tumefaciens ADP-glucose pyrophosphorylase P96A mutant bound to activator pyruvate
分子名称: Glucose-1-phosphate adenylyltransferase, PYRUVIC ACID, SULFATE ION
著者Mascarenhas, R.N, Hill, B.L, Ballicora, M.A, Liu, D.
登録日2017-06-15
公開日2018-11-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.754 Å)
主引用文献Structural analysis reveals a pyruvate-binding activator site in theAgrobacterium tumefaciensADP-glucose pyrophosphorylase.
J. Biol. Chem., 294, 2019
5W5T
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BU of 5w5t by Molmil
Agrobacterium tumefaciens ADP-Glucose Pyrophosphorylase bound to activator ethyl pyruvate
分子名称: GLYCEROL, Glucose-1-phosphate adenylyltransferase, SULFATE ION, ...
著者Mascarenhas, R.N, Hill, B.L, Ballicora, M.A, Liu, D.
登録日2017-06-15
公開日2018-11-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structural analysis reveals a pyruvate-binding activator site in theAgrobacterium tumefaciensADP-glucose pyrophosphorylase.
J. Biol. Chem., 294, 2019
5W6J
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BU of 5w6j by Molmil
Agrobacterium tumefaciens ADP-glucose pyrophosphorylase
分子名称: Glucose-1-phosphate adenylyltransferase, SULFATE ION
著者Mascarenhas, R.N, Hill, B.L, Wu, R, Ballicora, M.A, Liu, D.
登録日2017-06-16
公開日2018-11-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structural analysis reveals a pyruvate-binding activator site in theAgrobacterium tumefaciensADP-glucose pyrophosphorylase.
J. Biol. Chem., 294, 2019
4FM4
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BU of 4fm4 by Molmil
Wild Type Fe-type Nitrile Hydratase from Comamonas testosteroni Ni1
分子名称: FE (III) ION, Nitrile hydratase alpha subunit, Nitrile hydratase beta subunit, ...
著者Kuhn, M.L, Martinez, S, Gumataotao, N, Bornscheuer, U, Liu, D, Holz, R.C.
登録日2012-06-15
公開日2012-08-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.384 Å)
主引用文献The Fe-type nitrile hydratase from Comamonas testosteroni Ni1 does not require an activator accessory protein for expression in Escherichia coli.
Biochem.Biophys.Res.Commun., 424, 2012
2HR9
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BU of 2hr9 by Molmil
Solution structure of human translationally controlled tumor protein
分子名称: Translationally-controlled tumor protein
著者Feng, Y, Liu, D, Yao, H, Wang, J.
登録日2006-07-20
公開日2006-08-08
最終更新日2022-03-09
実験手法SOLUTION NMR
主引用文献Solution structure and mapping of a very weak calcium-binding site of human translationally controlled tumor protein by NMR
Arch.Biochem.Biophys., 48, 2007
2JQT
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BU of 2jqt by Molmil
Structure of the bacterial replication origin-associated protein Cnu
分子名称: H-NS/stpA-binding protein 2
著者Bae, S.H, Liu, D, Lim, H.M, Lee, Y, Choi, B.S.
登録日2007-06-07
公開日2008-04-22
最終更新日2023-12-20
実験手法SOLUTION NMR
主引用文献Structure of the nucleoid-associated protein Cnu reveals common binding sites for H-NS in Cnu and Hha.
Biochemistry, 47, 2008
2K6B
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BU of 2k6b by Molmil
Solution structure of 1-112 fragment of human programmed cell death 5 protein
分子名称: Programmed cell death protein 5
著者Feng, Y, Yao, H, Liu, D, Wang, J.
登録日2008-07-07
公開日2009-06-16
最終更新日2022-03-16
実験手法SOLUTION NMR
主引用文献Structure-function correlation of human programmed cell death 5 protein.
Arch.Biochem.Biophys., 486, 2009
6OIA
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BU of 6oia by Molmil
(1S,3S)-3-amino-4-(perfluoropropan-2-ylidene)cyclopentane-1-carboxylic acid hydrochloride, a potent inhibitor of ornithine aminotransferase
分子名称: (1S)-3-amino-4-[(2S)-1,1,1-trifluoro-3-oxopropan-2-yl]cyclopent-3-ene-1-carboxylic acid, GLYCEROL, Ornithine aminotransferase, ...
著者Catlin, D.S, Liu, D, Moschitto, M.J, Doubleday, P.F, Kelleher, N, Silverman, R.B.
登録日2019-04-09
公開日2019-09-18
最終更新日2020-04-01
実験手法X-RAY DIFFRACTION (1.777 Å)
主引用文献Mechanism of Inactivation of Ornithine Aminotransferase by (1S,3S)-3-Amino-4-(hexafluoropropan-2-ylidenyl)cyclopentane-1-carboxylic Acid.
J.Am.Chem.Soc., 141, 2019
4M1J
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BU of 4m1j by Molmil
Crystal structure of Pseudomonas aeruginosa PvdQ in complex with a transition state analogue
分子名称: Acyl-homoserine lactone acylase PvdQ subunit alpha, Acyl-homoserine lactone acylase PvdQ subunit beta, GLYCEROL, ...
著者Wu, R, Clevenger, K, Er, J, Fast, W.L, Liu, D.
登録日2013-08-02
公開日2013-08-28
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Rational Design of a Transition State Analogue with Picomolar Affinity for Pseudomonas aeruginosa PvdQ, a Siderophore Biosynthetic Enzyme.
Acs Chem.Biol., 8, 2013
5XYZ
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BU of 5xyz by Molmil
The structure of human BTK kinase domain in complex with a covalent inhibitor
分子名称: N-[3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-1H-1,2,4-triazol-3-yl)phenyl]propanamide, Tyrosine-protein kinase BTK
著者Wang, Y.L, Sun, Y.Z, Cao, R, Liu, D, Xie, Y.T, Li, L, Qi, X.B, Huang, N.
登録日2017-07-11
公開日2018-05-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献In Silico Identification of a Novel Hinge-Binding Scaffold for Kinase Inhibitor Discovery.
J. Med. Chem., 60, 2017
5XYX
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BU of 5xyx by Molmil
The structure of p38 alpha in complex with a triazol inhibitor
分子名称: Mitogen-activated protein kinase 14, N-(2-chloro-6-fluorobenzyl)-5-(furan-2-yl)-2H-1,2,4-triazol-3-amine
著者Wang, Y.L, Sun, Y.Z, Cao, R, Liu, D, Li, L, Qi, X.B, Huang, N.
登録日2017-07-11
公開日2018-01-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献In Silico Identification of a Novel Hinge-Binding Scaffold for Kinase Inhibitor Discovery.
J. Med. Chem., 60, 2017
5XYY
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BU of 5xyy by Molmil
The structure of p38 alpha in complex with a triazol inhibitor
分子名称: 3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-4H-1,2,4-triazol-3-yl)phenol, Mitogen-activated protein kinase 14
著者Wang, Y.L, Sun, Y.Z, Cao, R, Liu, D, Li, L, Qi, X.B, Huang, N.
登録日2017-07-11
公開日2018-01-17
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献In Silico Identification of a Novel Hinge-Binding Scaffold for Kinase Inhibitor Discovery.
J. Med. Chem., 60, 2017
6B6G
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BU of 6b6g by Molmil
Crystal Structure of GABA Aminotransferase bound to (S)-3-Amino-4-(difluoromethylenyl)cyclopent-1-ene-1-carboxylic acid, an Potent Inactivatorfor the Treatment of Addiction
分子名称: (3R,4E)-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]cyclopent-1-ene-1,3-dicarboxylic acid, 4-aminobutyrate aminotransferase, mitochondrial, ...
著者Mascarenhas, R, Juncosa, J.I, Takaya, K, Le, L.V, Moschitto, M.J, Silverman, R.B, Liu, D.
登録日2017-10-02
公開日2018-02-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Design and Mechanism of (S)-3-Amino-4-(difluoromethylenyl)cyclopent-1-ene-1-carboxylic Acid, a Highly Potent gamma-Aminobutyric Acid Aminotransferase Inactivator for the Treatment of Addiction.
J. Am. Chem. Soc., 140, 2018

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