4ZZH
 
 | | SIRT1/Activator Complex | | Descriptor: | (4S)-N-[3-(1,3-oxazol-5-yl)phenyl]-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1,4-methanopyrido[2,3-b][1,4]diazepine-5(2H)-carboxamide, NAD-dependent protein deacetylase sirtuin-1, ZINC ION | | Authors: | Dai, H. | | Deposit date: | 2015-05-22 | | Release date: | 2015-07-15 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.1001 Å) | | Cite: | Crystallographic structure of a small molecule SIRT1 activator-enzyme complex.
Nat Commun, 6, 2015
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4ZZJ
 | | SIRT1/Activator/Substrate Complex | | Descriptor: | (3S)-1,3-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide, Ac-p53, CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Dai, H. | | Deposit date: | 2015-05-22 | | Release date: | 2015-07-15 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.7403 Å) | | Cite: | Crystallographic structure of a small molecule SIRT1 activator-enzyme complex.
Nat Commun, 6, 2015
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4ZZI
 | | SIRT1/Activator/Inhibitor Complex | | Descriptor: | (3S)-1,3-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide, 4-(4-{2-[(methylsulfonyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide, NAD-dependent protein deacetylase sirtuin-1, ... | | Authors: | Dai, H. | | Deposit date: | 2015-05-22 | | Release date: | 2015-07-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.7346 Å) | | Cite: | Crystallographic structure of a small molecule SIRT1 activator-enzyme complex.
Nat Commun, 6, 2015
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1TMW
 | | Solution structure of Human Coactosin Like Protein D123N | | Descriptor: | Coactosin-like protein | | Authors: | Dai, H, Wu, J, Xu, Y, Tang, Y, Ding, H, Shi, Y. | | Deposit date: | 2004-06-11 | | Release date: | 2005-06-28 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Study on Solution Structure and Its binding function to F-actin
To be Published
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2KHA
 | | Solution Structure of a Pathogen Recognition Domain from a Lepidopteran Insect, Plodia interpunctella | | Descriptor: | Beta-1,3-glucan-binding protein | | Authors: | Dai, H, Hiromasa, Y, Fabrick, J, Vandervelde, D, Kanost, M, Krishnamoorthi, R. | | Deposit date: | 2009-03-29 | | Release date: | 2010-03-16 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | An initial event in the insect innate immune response: structural and biological studies of interactions between beta-1,3-glucan and the N-terminal domain of beta-1,3-glucan recognition protein
Biochemistry, 52, 2013
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1W16
 | | rat synaptotagmin 4 C2B domain in the absence of calcium | | Descriptor: | CHLORIDE ION, SODIUM ION, SYNAPTOTAGMIN IV | | Authors: | Dai, H, Shin, O.-H, Machius, M, Tomchick, D.R, Sudhof, T.C, Rizo, J. | | Deposit date: | 2004-06-16 | | Release date: | 2004-08-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Basis for the Evolutionary Inactivation of Ca2+ Binding to Synaptotagmin 4
Nat.Struct.Mol.Biol., 11, 2004
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1W15
 | | rat synaptotagmin 4 C2B domain in the presence of calcium | | Descriptor: | CALCIUM ION, CHLORIDE ION, SODIUM ION, ... | | Authors: | Dai, H, Shin, O.-H, Machius, M, Tomchick, D.R, Sudhof, T.C, Rizo, J. | | Deposit date: | 2004-06-16 | | Release date: | 2004-08-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Structural Basis for the Evolutionary Inactivation of Ca2+ Binding to Synaptotagmin 4
Nat.Struct.Mol.Biol., 11, 2004
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2BWQ
 | | Crystal Structure of the RIM2 C2A-domain at 1.4 angstrom Resolution | | Descriptor: | REGULATING SYNAPTIC MEMBRANE EXOCYTOSIS PROTEIN 2, SULFATE ION | | Authors: | Dai, H, Tomchick, D.R, Garcia, J, Sudhof, T.C, Machius, M, Rizo, J. | | Deposit date: | 2005-07-15 | | Release date: | 2005-10-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Crystal Structure of the Rim2 C(2)A-Domain at 1.4 A Resolution.
Biochemistry, 44, 2005
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2JR8
 | | Solution structure of Manduca sexta moricin | | Descriptor: | Antimicrobial peptide moricin | | Authors: | Gong, Y, Dai, H, Rayaprolu, S, Huang, R, Prakash, O, Jiang, H. | | Deposit date: | 2007-06-21 | | Release date: | 2008-03-25 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | Solution structure, antibacterial activity, and expression profile of Manduca sexta moricin.
J.Pept.Sci., 14, 2008
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4JT8
 | | Crystal Structure of human SIRT3 with ELT inhibitor 28 [4-(4-{2-[(2,2-dimethylpropanoyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide[ | | Descriptor: | 4-(4-{2-[(2,2-dimethylpropanoyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide, NAD-dependent protein deacetylase sirtuin-3, mitochondrial, ... | | Authors: | Dai, H. | | Deposit date: | 2013-03-22 | | Release date: | 2013-04-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Discovery of Thieno[3,2-d]pyrimidine-6-carboxamides as Potent Inhibitors of SIRT1, SIRT2, and SIRT3.
J.Med.Chem., 56, 2013
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4JT9
 | | Crystal Structure of human SIRT3 with ELT inhibitor 3 [14-(4-{2-[(methylsulfonyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide] | | Descriptor: | 4-(4-{2-[(methylsulfonyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide, GLYCEROL, NAD-dependent protein deacetylase sirtuin-3, ... | | Authors: | Dai, H. | | Deposit date: | 2013-03-22 | | Release date: | 2013-04-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Discovery of Thieno[3,2-d]pyrimidine-6-carboxamides as Potent Inhibitors of SIRT1, SIRT2, and SIRT3.
J.Med.Chem., 56, 2013
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4JSR
 | | Crystal Structure of human SIRT3 with ELT inhibitor 11c [N-{2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl}-N'-ethylthiophene-2,5-dicarboxamide] | | Descriptor: | N-{2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl}-N'-ethylthiophene-2,5-dicarboxamide, NAD-dependent protein deacetylase sirtuin-3, mitochondrial, ... | | Authors: | Dai, H. | | Deposit date: | 2013-03-22 | | Release date: | 2013-04-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of Thieno[3,2-d]pyrimidine-6-carboxamides as Potent Inhibitors of SIRT1, SIRT2, and SIRT3.
J.Med.Chem., 56, 2013
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4FVT
 | | Human SIRT3 bound to Ac-ACS peptide and Carba-NAD | | Descriptor: | Acetylated ACS2 peptide, CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Dai, H. | | Deposit date: | 2012-06-29 | | Release date: | 2012-08-15 | | Last modified: | 2012-09-19 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Synthesis of Carba-NAD and the Structures of Its Ternary Complexes with SIRT3 and SIRT5.
J.Org.Chem., 77, 2012
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4G1C
 | | Human SIRT5 bound to Succ-IDH2 and Carba-NAD | | Descriptor: | CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, NAD-dependent protein deacylase sirtuin-5, mitochondrial, ... | | Authors: | Dai, H. | | Deposit date: | 2012-07-10 | | Release date: | 2012-08-15 | | Last modified: | 2012-09-19 | | Method: | X-RAY DIFFRACTION (1.944 Å) | | Cite: | Synthesis of Carba-NAD and the Structures of Its Ternary Complexes with SIRT3 and SIRT5.
J.Org.Chem., 77, 2012
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2Q3X
 | | The RIM1alpha C2B domain | | Descriptor: | CHLORIDE ION, Regulating synaptic membrane exocytosis protein 1, SODIUM ION, ... | | Authors: | Guan, R, Dai, H, Tomchick, D.R, Machius, M, Sudhof, T.C, Rizo, J. | | Deposit date: | 2007-05-30 | | Release date: | 2007-08-28 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Crystal Structure of the RIM1alpha C(2)B Domain at 1.7 A Resolution.
Biochemistry, 46, 2007
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3GLR
 | | Crystal Structure of human SIRT3 with acetyl-lysine AceCS2 peptide | | Descriptor: | Acetyl-coenzyme A synthetase 2-like, mitochondrial, BICARBONATE ION, ... | | Authors: | Jin, L, Wei, W, Jiang, Y, Peng, H, Cai, J, Mao, C, Dai, H, Bemis, J.E, Jirousek, M.R, Milne, J.C, Westphal, C.H, Perni, R.B. | | Deposit date: | 2009-03-12 | | Release date: | 2009-06-16 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structures of Human SIRT3 Displaying Substrate-induced Conformational Changes.
J.Biol.Chem., 284, 2009
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3GLT
 | | Crystal Structure of Human SIRT3 with ADPR bound to the AceCS2 peptide containing a thioacetyl lysine | | Descriptor: | Acetyl-coenzyme A synthetase 2-like, mitochondrial, CARBONATE ION, ... | | Authors: | Jin, L, Wei, W, Jiang, Y, Peng, H, Cai, J, Mao, C, Dai, H, Bemis, J.E, Jirousek, M.R, Milne, J.C, Westphal, C.H, Perni, R.B. | | Deposit date: | 2009-03-12 | | Release date: | 2009-06-16 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structures of Human SIRT3 Displaying Substrate-induced Conformational Changes.
J.Biol.Chem., 284, 2009
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3GLU
 | | Crystal Structure of Human SIRT3 with AceCS2 peptide | | Descriptor: | Acetyl-coenzyme A synthetase 2-like, mitochondrial, NAD-dependent deacetylase sirtuin-3, ... | | Authors: | Jin, L, Wei, W, Jiang, Y, Peng, H, Cai, J, Mao, C, Dai, H, Bemis, J.E, Jirousek, M.R, Milne, J.C, Westphal, C.H, Perni, R.B. | | Deposit date: | 2009-03-12 | | Release date: | 2009-06-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structures of Human SIRT3 Displaying Substrate-induced Conformational Changes.
J.Biol.Chem., 284, 2009
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3GLS
 | | Crystal Structure of Human SIRT3 | | Descriptor: | NAD-dependent deacetylase sirtuin-3, mitochondrial, SULFATE ION, ... | | Authors: | Jin, L, Wei, W, Jiang, Y, Peng, H, Cai, J, Mao, C, Dai, H, Bemis, J.E, Jirousek, M.R, Milne, J.C, Westphal, C.H, Perni, R.B. | | Deposit date: | 2009-03-12 | | Release date: | 2009-06-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal Structures of Human SIRT3 Displaying Substrate-induced Conformational Changes.
J.Biol.Chem., 284, 2009
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2HFR
 | | solution structure of antimicrobial peptide Fowlicidin 3 | | Descriptor: | Fowlicidin-3 | | Authors: | Bommineni, Y.R, Dai, H, Gong, Y, Prakash, O, Zhang, G. | | Deposit date: | 2006-06-26 | | Release date: | 2007-04-17 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Fowlicidin-3 is an alpha-helical cationic host defense peptide with potent antibacterial and lipopolysaccharide-neutralizing activities.
Febs J., 274, 2007
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1U4A
 | | Solution structure of human SUMO-3 C47S | | Descriptor: | Ubiquitin-like protein SMT3A | | Authors: | Ding, H, Xu, Y, Dai, H, Tang, Y, Wu, J, Shi, Y. | | Deposit date: | 2004-07-23 | | Release date: | 2005-03-08 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of Human SUMO-3 C47S and Its Binding Surface for Ubc9
Biochemistry, 44, 2005
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2DK9
 | | Solution structure of Calponin Homology domain of Human MICAL-1 | | Descriptor: | NEDD9-interacting protein with calponin homology and LIM domains | | Authors: | Sun, H, Dai, H, Zhang, J, Xiong, S, Wu, J, Shi, Y. | | Deposit date: | 2006-04-07 | | Release date: | 2006-09-19 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of calponin homology domain of Human MICAL-1
J.Biomol.Nmr, 36, 2006
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2CJS
 | | Structural Basis for a Munc13-1 Homodimer - Munc13-1 - RIM Heterodimer Switch: C2-domains as Versatile Protein-Protein Interaction Modules | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, REGULATING SYNAPTIC MEMBRANE EXOCYTOSIS PROTEIN 2, ... | | Authors: | Lu, J, Machius, M, Dulubova, I, Dai, H, Sudhof, T.C, Tomchick, D.R, Rizo, J. | | Deposit date: | 2006-04-06 | | Release date: | 2006-06-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Structural Basis for a Munc13-1 Homodimer to Munc13-1/Rim Heterodimer Switch.
Plos Biol., 4, 2006
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2AMN
 | | Solution structure of Fowlicidin-1, a novel Cathelicidin antimicrobial peptide from chicken | | Descriptor: | cathelicidin | | Authors: | Xiao, Y, Dai, H, Bommineni, Y.R, Prakash, O, Zhang, G. | | Deposit date: | 2005-08-09 | | Release date: | 2006-07-18 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | Structure-activity relationships of fowlicidin-1, a cathelicidin antimicrobial peptide in chicken.
Febs J., 273, 2006
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2CJT
 | | Structural Basis for a Munc13-1 Homodimer - Munc13-1 - RIM Heterodimer Switch: C2-domains as Versatile Protein-Protein Interaction Modules | | Descriptor: | 1,2-ETHANEDIOL, FORMIC ACID, UNC-13 HOMOLOG A | | Authors: | Lu, J, Machius, M, Dulubova, I, Dai, H, Sudhof, T.C, Tomchick, D.R, Rizo, J. | | Deposit date: | 2006-04-06 | | Release date: | 2006-06-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Structural Basis for a Munc13-1 Dimeric to Munc13-1/Rim Heterodimer Switch
Plos Biol., 4, 2006
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