5BWN
 
 | | Crystal Structure of SIRT3 with a H3K9 Peptide Containing a Myristoyl Lysine | | Descriptor: | NAD-dependent protein deacetylase sirtuin-3, mitochondrial, ZINC ION, ... | | Authors: | Gai, W, Liu, D. | | Deposit date: | 2015-06-08 | | Release date: | 2016-07-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.942 Å) | | Cite: | 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
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5BWO
 | | Crystal Structure of Human SIRT3 in Complex with a Palmitoyl H3K9 Peptide | | Descriptor: | NAD-dependent protein deacetylase sirtuin-3, mitochondrial, PALMITIC ACID, ... | | Authors: | Gai, W, Jiang, H, Liu, D. | | Deposit date: | 2015-06-08 | | Release date: | 2016-07-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.376 Å) | | Cite: | 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
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5BWL
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6M8H
 | | Crystal Structure of the R208Q mutant of G(i) subunit alpha-1 | | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Guanine nucleotide-binding protein G(i) subunit alpha-1, MAGNESIUM ION | | Authors: | Mascarenhas, R, Goossens, J, Leverson, B, Kothawala, S, Ballicora, M, Olsen, K, de freitas, D, Liu, D. | | Deposit date: | 2018-08-21 | | Release date: | 2019-08-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | FUNCTIONAL CONSEQUENCES OF ONCOGENIC MUTATIONS IN THE SWITCH II REGION OF Galphai1 and Galphas PROTEINS
To Be Published
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4N0B
 | | Crystal structure of Bacillus subtilis GabR, an autorepressor and transcriptional activator of GabT | | Descriptor: | ACETYL GROUP, CALCIUM ION, HTH-type transcriptional regulatory protein GabR, ... | | Authors: | 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. | | Deposit date: | 2013-10-01 | | Release date: | 2013-10-30 | | Last modified: | 2014-04-02 | | Method: | X-RAY DIFFRACTION (2.705 Å) | | Cite: | Crystal structure of Bacillus subtilis GabR, an autorepressor and transcriptional activator of gabT.
Proc.Natl.Acad.Sci.USA, 110, 2013
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6J8I
 | | Structure of human voltage-gated sodium channel Nav1.7 in complex with auxiliary beta subunits, ProTx-II and tetrodotoxin (Y1755 up) | | Descriptor: | (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, ... | | Authors: | Shen, H, Liu, D, Lei, J, Yan, N. | | Deposit date: | 2019-01-19 | | Release date: | 2019-02-27 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structures of human Nav1.7 channel in complex with auxiliary subunits and animal toxins.
Science, 363, 2019
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6J8G
 | | Structure of human voltage-gated sodium channel Nav1.7 in complex with auxiliary beta subunits, huwentoxin-IV and saxitoxin (Y1755 up) | | Descriptor: | 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, ... | | Authors: | Shen, H, Liu, D, Lei, J, Yan, N. | | Deposit date: | 2019-01-19 | | Release date: | 2019-02-27 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structures of human Nav1.7 channel in complex with auxiliary subunits and animal toxins.
Science, 363, 2019
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6J8H
 | | Structure of human voltage-gated sodium channel Nav1.7 in complex with auxiliary beta subunits, huwentoxin-IV and saxitoxin (Y1755 down) | | Descriptor: | 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, ... | | Authors: | Shen, H, Liu, D, Lei, J, Yan, N. | | Deposit date: | 2019-01-19 | | Release date: | 2019-02-27 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structures of human Nav1.7 channel in complex with auxiliary subunits and animal toxins.
Science, 363, 2019
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6J8J
 | | Structure of human voltage-gated sodium channel Nav1.7 in complex with auxiliary beta subunits, ProTx-II and tetrodotoxin (Y1755 down) | | Descriptor: | (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, ... | | Authors: | Shen, H, Liu, D, Lei, J, Yan, N. | | Deposit date: | 2019-01-19 | | Release date: | 2019-02-27 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structures of human Nav1.7 channel in complex with auxiliary subunits and animal toxins.
Science, 363, 2019
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4MGR
 | | The crystal structure of Bacillus subtilis GabR, an autorepressor and PLP- and GABA-dependent transcriptional activator of gabT | | Descriptor: | ACETATE ION, HTH-type transcriptional regulatory protein GabR, IMIDAZOLE, ... | | Authors: | 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. | | Deposit date: | 2013-08-28 | | Release date: | 2013-10-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Crystal structure of Bacillus subtilis GabR, an autorepressor and transcriptional activator of gabT.
Proc.Natl.Acad.Sci.USA, 110, 2013
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5UBQ
 | | Cryo-EM structure of ciliary microtubule doublet | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Ichikawa, M, Liu, D, Kastritis, P.L, Basu, K, Bui, K.H. | | Deposit date: | 2016-12-21 | | Release date: | 2017-05-10 | | Last modified: | 2020-01-15 | | Method: | ELECTRON MICROSCOPY (5.7 Å) | | Cite: | Subnanometre-resolution structure of the doublet microtubule reveals new classes of microtubule-associated proteins.
Nat Commun, 8, 2017
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5UCY
 | | Cryo-EM map of protofilament of microtubule doublet | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Ichikawa, M, Liu, D, Kastritis, P.L, Basu, K, Bui, K.H. | | Deposit date: | 2016-12-22 | | Release date: | 2017-05-10 | | Last modified: | 2020-01-15 | | Method: | ELECTRON MICROSCOPY (4.6 Å) | | Cite: | Subnanometre-resolution structure of the doublet microtubule reveals new classes of microtubule-associated proteins.
Nat Commun, 8, 2017
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5W5R
 | | Agrobacterium tumefaciens ADP-glucose pyrophosphorylase P96A mutant bound to activator pyruvate | | Descriptor: | Glucose-1-phosphate adenylyltransferase, PYRUVIC ACID, SULFATE ION | | Authors: | Mascarenhas, R.N, Hill, B.L, Ballicora, M.A, Liu, D. | | Deposit date: | 2017-06-15 | | Release date: | 2018-11-14 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.754 Å) | | Cite: | Structural analysis reveals a pyruvate-binding activator site in theAgrobacterium tumefaciensADP-glucose pyrophosphorylase.
J. Biol. Chem., 294, 2019
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5W5T
 | | Agrobacterium tumefaciens ADP-Glucose Pyrophosphorylase bound to activator ethyl pyruvate | | Descriptor: | GLYCEROL, Glucose-1-phosphate adenylyltransferase, SULFATE ION, ... | | Authors: | Mascarenhas, R.N, Hill, B.L, Ballicora, M.A, Liu, D. | | Deposit date: | 2017-06-15 | | Release date: | 2018-11-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structural analysis reveals a pyruvate-binding activator site in theAgrobacterium tumefaciensADP-glucose pyrophosphorylase.
J. Biol. Chem., 294, 2019
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5W6J
 | | Agrobacterium tumefaciens ADP-glucose pyrophosphorylase | | Descriptor: | Glucose-1-phosphate adenylyltransferase, SULFATE ION | | Authors: | Mascarenhas, R.N, Hill, B.L, Wu, R, Ballicora, M.A, Liu, D. | | Deposit date: | 2017-06-16 | | Release date: | 2018-11-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Structural analysis reveals a pyruvate-binding activator site in theAgrobacterium tumefaciensADP-glucose pyrophosphorylase.
J. Biol. Chem., 294, 2019
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4FM4
 | | Wild Type Fe-type Nitrile Hydratase from Comamonas testosteroni Ni1 | | Descriptor: | FE (III) ION, Nitrile hydratase alpha subunit, Nitrile hydratase beta subunit, ... | | Authors: | Kuhn, M.L, Martinez, S, Gumataotao, N, Bornscheuer, U, Liu, D, Holz, R.C. | | Deposit date: | 2012-06-15 | | Release date: | 2012-08-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.384 Å) | | Cite: | 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
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2HR9
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2JQT
 | | Structure of the bacterial replication origin-associated protein Cnu | | Descriptor: | H-NS/stpA-binding protein 2 | | Authors: | Bae, S.H, Liu, D, Lim, H.M, Lee, Y, Choi, B.S. | | Deposit date: | 2007-06-07 | | Release date: | 2008-04-22 | | Last modified: | 2023-12-20 | | Method: | SOLUTION NMR | | Cite: | Structure of the nucleoid-associated protein Cnu reveals common binding sites for H-NS in Cnu and Hha.
Biochemistry, 47, 2008
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2K6B
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6OIA
 | | (1S,3S)-3-amino-4-(perfluoropropan-2-ylidene)cyclopentane-1-carboxylic acid hydrochloride, a potent inhibitor of ornithine aminotransferase | | Descriptor: | (1S)-3-amino-4-[(2S)-1,1,1-trifluoro-3-oxopropan-2-yl]cyclopent-3-ene-1-carboxylic acid, GLYCEROL, Ornithine aminotransferase, ... | | Authors: | Catlin, D.S, Liu, D, Moschitto, M.J, Doubleday, P.F, Kelleher, N, Silverman, R.B. | | Deposit date: | 2019-04-09 | | Release date: | 2019-09-18 | | Last modified: | 2020-04-01 | | Method: | X-RAY DIFFRACTION (1.777 Å) | | Cite: | 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
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4M1J
 | | Crystal structure of Pseudomonas aeruginosa PvdQ in complex with a transition state analogue | | Descriptor: | Acyl-homoserine lactone acylase PvdQ subunit alpha, Acyl-homoserine lactone acylase PvdQ subunit beta, GLYCEROL, ... | | Authors: | Wu, R, Clevenger, K, Er, J, Fast, W.L, Liu, D. | | Deposit date: | 2013-08-02 | | Release date: | 2013-08-28 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Rational Design of a Transition State Analogue with Picomolar Affinity for Pseudomonas aeruginosa PvdQ, a Siderophore Biosynthetic Enzyme.
Acs Chem.Biol., 8, 2013
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5XYZ
 | | The structure of human BTK kinase domain in complex with a covalent inhibitor | | Descriptor: | N-[3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-1H-1,2,4-triazol-3-yl)phenyl]propanamide, Tyrosine-protein kinase BTK | | Authors: | Wang, Y.L, Sun, Y.Z, Cao, R, Liu, D, Xie, Y.T, Li, L, Qi, X.B, Huang, N. | | Deposit date: | 2017-07-11 | | Release date: | 2018-05-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | In Silico Identification of a Novel Hinge-Binding Scaffold for Kinase Inhibitor Discovery.
J. Med. Chem., 60, 2017
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5XYX
 | | The structure of p38 alpha in complex with a triazol inhibitor | | Descriptor: | Mitogen-activated protein kinase 14, N-(2-chloro-6-fluorobenzyl)-5-(furan-2-yl)-2H-1,2,4-triazol-3-amine | | Authors: | Wang, Y.L, Sun, Y.Z, Cao, R, Liu, D, Li, L, Qi, X.B, Huang, N. | | Deposit date: | 2017-07-11 | | Release date: | 2018-01-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | In Silico Identification of a Novel Hinge-Binding Scaffold for Kinase Inhibitor Discovery.
J. Med. Chem., 60, 2017
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5XYY
 | | The structure of p38 alpha in complex with a triazol inhibitor | | Descriptor: | 3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-4H-1,2,4-triazol-3-yl)phenol, Mitogen-activated protein kinase 14 | | Authors: | Wang, Y.L, Sun, Y.Z, Cao, R, Liu, D, Li, L, Qi, X.B, Huang, N. | | Deposit date: | 2017-07-11 | | Release date: | 2018-01-17 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | In Silico Identification of a Novel Hinge-Binding Scaffold for Kinase Inhibitor Discovery.
J. Med. Chem., 60, 2017
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6B6G
 | | 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 | | Descriptor: | (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, ... | | Authors: | Mascarenhas, R, Juncosa, J.I, Takaya, K, Le, L.V, Moschitto, M.J, Silverman, R.B, Liu, D. | | Deposit date: | 2017-10-02 | | Release date: | 2018-02-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | 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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