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4ZZH
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BU of 4zzh by Molmil
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
4ZZI
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BU of 4zzi by Molmil
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
4ZZJ
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BU of 4zzj by Molmil
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
1TMW
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BU of 1tmw by Molmil
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:2021-11-10
Method:SOLUTION NMR
Cite:Study on Solution Structure and Its binding function to F-actin
To be Published
2BWQ
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BU of 2bwq by Molmil
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
1W15
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BU of 1w15 by Molmil
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
1W16
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BU of 1w16 by Molmil
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
2KHA
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BU of 2kha by Molmil
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:2021-10-13
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
2JR8
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BU of 2jr8 by Molmil
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:2023-06-14
Method:SOLUTION NMR
Cite:Solution structure, antibacterial activity, and expression profile of Manduca sexta moricin.
J.Pept.Sci., 14, 2008
4FVT
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BU of 4fvt by Molmil
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
4G1C
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BU of 4g1c by Molmil
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
4JSR
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BU of 4jsr by Molmil
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
4JT9
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BU of 4jt9 by Molmil
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
4JT8
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BU of 4jt8 by Molmil
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
3GLR
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BU of 3glr by Molmil
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:2019-07-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structures of Human SIRT3 Displaying Substrate-induced Conformational Changes.
J.Biol.Chem., 284, 2009
3GLT
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BU of 3glt by Molmil
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:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structures of Human SIRT3 Displaying Substrate-induced Conformational Changes.
J.Biol.Chem., 284, 2009
3GLU
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BU of 3glu by Molmil
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
3GLS
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BU of 3gls by Molmil
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
2DK9
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BU of 2dk9 by Molmil
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:2022-03-09
Method:SOLUTION NMR
Cite:Solution structure of calponin homology domain of Human MICAL-1
J.Biomol.Nmr, 36, 2006
1U4A
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BU of 1u4a by Molmil
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:2021-11-10
Method:SOLUTION NMR
Cite:Solution Structure of Human SUMO-3 C47S and Its Binding Surface for Ubc9
Biochemistry, 44, 2005
2HFR
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BU of 2hfr by Molmil
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:2022-03-09
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
2AMN
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BU of 2amn by Molmil
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:2023-06-14
Method:SOLUTION NMR
Cite:Structure-activity relationships of fowlicidin-1, a cathelicidin antimicrobial peptide in chicken.
Febs J., 273, 2006
2CJS
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BU of 2cjs by Molmil
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:2019-01-30
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
2CJT
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BU of 2cjt by Molmil
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:2019-01-30
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
2Q3X
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BU of 2q3x by Molmil
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:2011-07-13
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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