7ALM
 
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7AIA
 | | Complex of human GDAP1 with hexadecanedioic acid | | Descriptor: | ETHANOL, GLYCEROL, Ganglioside-induced differentiation-associated protein 1, ... | | Authors: | Nguyen, G.T.T, Sutinen, A, Kursula, P. | | Deposit date: | 2020-09-26 | | Release date: | 2021-02-24 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of the Complete Dimeric Human GDAP1 Core Domain Provides Insights into Ligand Binding and Clustering of Disease Mutations.
Front Mol Biosci, 7, 2020
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4C7B
 | | Complex of human Sirt3 with Bromo-Resveratrol and Fluor-De-Lys peptide | | Descriptor: | 5-[(E)-2-(4-bromophenyl)ethenyl]benzene-1,3-diol, GLYCEROL, ISOPROPYL ALCOHOL, ... | | Authors: | Nguyen, G.T.T, Gertz, M, Weyand, M, Steegborn, C. | | Deposit date: | 2013-09-20 | | Release date: | 2013-11-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structures of Sirt3 Complexes with 4'-Bromo-Resveratrol Reveal Binding Sites and Inhibition Mechanism.
Chem.Biol., 20, 2013
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4BN4
 | | Structure of human SIRT3 in complex with ADP-ribose | | Descriptor: | 2-[2-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanoic acid, NAD-DEPENDENT PROTEIN DEACETYLASE SIRTUIN-3, MITOCHONDRIAL, ... | | Authors: | Nguyen, G.T.T, Schaefer, S, Gertz, M, Weyand, M, Steegborn, C. | | Deposit date: | 2013-05-13 | | Release date: | 2013-06-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structures of Human Sirtuin 3 Complexes with Adp-Ribose and with Carba-Nad+ and Srt1720: Binding Details and Inhibition Mechanism
Acta Crystallogr.,Sect.D, 69, 2013
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4BN5
 | | Structure of human SIRT3 in complex with SRT1720 inhibitor | | Descriptor: | CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, GLYCEROL, N-{2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl}quinoxaline-2-carboxamide, ... | | Authors: | Nguyen, G.T.T, Schaefer, S, Gertz, M, Weyand, M, Steegborn, C. | | Deposit date: | 2013-05-13 | | Release date: | 2013-06-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Structures of Human Sirtuin 3 Complexes with Adp-Ribose and with Carba-Nad+ and Srt1720: Binding Details and Inhibition Mechanism
Acta Crystallogr.,Sect.D, 69, 2013
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4C78
 | | Complex of human Sirt3 with Bromo-Resveratrol and ACS2 peptide | | Descriptor: | 5-[(E)-2-(4-bromophenyl)ethenyl]benzene-1,3-diol, ACETYL-COENZYME A SYNTHETASE 2-LIKE, MITOCHONDRIAL, ... | | Authors: | Nguyen, G.T.T, Gertz, M, Weyand, M, Steegborn, C. | | Deposit date: | 2013-09-19 | | Release date: | 2013-11-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structures of Sirt3 Complexes with 4'-Bromo-Resveratrol Reveal Binding Sites and Inhibition Mechanism.
Chem.Biol., 20, 2013
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7B2G
 | | Crystal structure of R120Q GDAP1 mutant | | Descriptor: | GLYCEROL, Ganglioside-induced differentiation-associated protein 1 | | Authors: | Nguyen, G.T.T, Sutinen, A, Kursula, P. | | Deposit date: | 2020-11-26 | | Release date: | 2021-12-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Conserved intramolecular networks in GDAP1 are closely connected to CMT-linked mutations and protein stability.
Plos One, 18, 2023
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3QBQ
 | | Crystal structure of extracellular domains of mouse RANK-RANKL complex | | Descriptor: | Tumor necrosis factor ligand superfamily member 11, Tumor necrosis factor receptor superfamily member 11A | | Authors: | Ta, H.M, Nguyen, G.T.T, Jin, H.M, Choi, J.K, Park, H, Kim, N.S, Hwang, H.Y, Kim, K.K. | | Deposit date: | 2011-01-13 | | Release date: | 2011-03-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-based development of a receptor activator of nuclear factor-kappaB ligand (RANKL) inhibitor peptide and molecular basis for osteopetrosis
Proc.Natl.Acad.Sci.USA, 107, 2010
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4HD8
 | | Crystal structure of human Sirt3 in complex with Fluor-de-Lys peptide and piceatannol | | Descriptor: | Fluor-de-Lys peptide, ISOPROPYL ALCOHOL, NAD-dependent protein deacetylase sirtuin-3, ... | | Authors: | Nguyen, G.T.T, Gertz, M, Steegborn, C. | | Deposit date: | 2012-10-02 | | Release date: | 2012-12-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A molecular mechanism for direct sirtuin activation by resveratrol.
Plos One, 7, 2012
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4BVG
 | | CRYSTAL STRUCTURE OF HUMAN SIRT3 IN COMPLEX WITH NATIVE ALKYLIMIDATE FORMED FROM ACETYL-LYSINE ACS2-PEPTIDE CRYSTALLIZED IN PRESENCE OF THE INHIBITOR EX-527 | | Descriptor: | (2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]OXY}METHYL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL ACETATE, 1,2-ETHANEDIOL, ACETYL-COENZYME A SYNTHETASE 2-LIKE, ... | | Authors: | Nguyen, G.T.T, Gertz, M, Weyand, M, Steegborn, C. | | Deposit date: | 2013-06-25 | | Release date: | 2013-07-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Ex-527 inhibits Sirtuins by exploiting their unique NAD+-dependent deacetylation mechanism.
Proc. Natl. Acad. Sci. U.S.A., 110, 2013
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7YWD
 | | Human GDAP1 core domain, trigonal crystal form | | Descriptor: | Ganglioside-induced differentiation-associated protein 1 | | Authors: | Raasakka, A, Kursula, P. | | Deposit date: | 2022-02-13 | | Release date: | 2022-06-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural insights into Charcot-Marie-Tooth disease-linked mutations in human GDAP1.
Febs Open Bio, 12, 2022
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8A4J
 | | Human GDAP1, A247V mutant | | Descriptor: | Ganglioside-induced differentiation-associated protein 1 | | Authors: | Sutinen, A, Kursula, P. | | Deposit date: | 2022-06-12 | | Release date: | 2023-04-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Conserved intramolecular networks in GDAP1 are closely connected to CMT-linked mutations and protein stability.
Plos One, 18, 2023
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8A4K
 | | Human GDAP1, R282H mutant | | Descriptor: | Ganglioside-induced differentiation-associated protein 1 | | Authors: | Sutinen, A, Kursula, P. | | Deposit date: | 2022-06-12 | | Release date: | 2023-04-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Conserved intramolecular networks in GDAP1 are closely connected to CMT-linked mutations and protein stability.
Plos One, 18, 2023
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7Q6K
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7Q6J
 | | Crystal structure of the human GDAP1 CMT2 mutant-H123R | | Descriptor: | DI(HYDROXYETHYL)ETHER, Ganglioside-induced differentiation-associated protein 1 | | Authors: | Sutinen, A, Kursula, P. | | Deposit date: | 2021-11-08 | | Release date: | 2022-06-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural insights into Charcot-Marie-Tooth disease-linked mutations in human GDAP1.
Febs Open Bio, 12, 2022
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4BV3
 | | CRYSTAL STRUCTURE OF SIRT3 IN COMPLEX WITH THE INHIBITOR EX-527 AND NAD | | Descriptor: | (1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1- carboxamide, ADENOSINE-5-DIPHOSPHORIBOSE, CHLORIDE ION, ... | | Authors: | Gertz, M, Nguyen, N.T.T, Weyand, M, Steegborn, C. | | Deposit date: | 2013-06-24 | | Release date: | 2013-07-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Ex-527 Inhibits Sirtuins by Exploiting Their Unique Nad+-Dependent Deacetylation Mechanism
Proc.Natl.Acad.Sci.USA, 110, 2013
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4BVB
 | | CRYSTAL STRUCTURE OF HUMAN SIRT3 IN COMPLEX WITH THE INHIBITOR EX-527 AND ADP-RIBOSE | | Descriptor: | (1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1- carboxamide, NAD-DEPENDENT PROTEIN DEACETYLASE SIRTUIN-3, MITOCHONDRIAL, ... | | Authors: | Gertz, M, Weyand, M, Steegborn, C. | | Deposit date: | 2013-06-25 | | Release date: | 2013-07-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Ex-527 Inhibits Sirtuins by Exploiting Their Unique Nad+-Dependent Deacetylation Mechanism
Proc.Natl.Acad.Sci.USA, 110, 2013
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4BVH
 | | CRYSTAL STRUCTURE OF HUMAN SIRT3 IN COMPLEX WITH THE INHIBITOR EX-527 AND 2'-O-ACETYL-ADP-RIBOSE | | Descriptor: | (1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1- carboxamide, 1,2-ETHANEDIOL, 2'-O-ACETYL ADENOSINE-5-DIPHOSPHORIBOSE, ... | | Authors: | Gertz, M, Weyand, M, Steegborn, C. | | Deposit date: | 2013-06-25 | | Release date: | 2013-07-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Ex-527 Inhibits Sirtuins by Exploiting Their Unique Nad+-Dependent Deacetylation Mechanism
Proc.Natl.Acad.Sci.USA, 110, 2013
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4BVF
 | | CRYSTAL STRUCTURE OF HUMAN SIRT3 IN COMPLEX WITH THIOALKYLIMIDATE FORMED FROM THIO-ACETYL-LYSINE ACS2-PEPTIDE CRYSTALLIZED IN PRESENCE OF THE INHIBITOR EX-527 | | Descriptor: | 1,2-ETHANEDIOL, ACETYL-COENZYME A SYNTHETASE 2-LIKE, MITOCHONDRIAL, ... | | Authors: | Gertz, M, Weyand, M, Steegborn, C. | | Deposit date: | 2013-06-25 | | Release date: | 2013-07-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Ex-527 Inhibits Sirtuins by Exploiting Their Unique Nad+-Dependent Deacetylation Mechanism
Proc.Natl.Acad.Sci.USA, 110, 2013
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4BUZ
 | | SIR2 COMPLEX STRUCTURE MIXTURE OF EX-527 INHIBITOR AND REACTION PRODUCTS OR OF REACTION SUBSTRATES P53 PEPTIDE AND NAD | | Descriptor: | (1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1- carboxamide, 1,2-ETHANEDIOL, 2'-O-ACETYL ADENOSINE-5-DIPHOSPHORIBOSE, ... | | Authors: | Weyand, M, Lakshminarasimhan, M, Gertz, M, Steegborn, C. | | Deposit date: | 2013-06-24 | | Release date: | 2013-07-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Ex-527 Inhibits Sirtuins by Exploiting Their Unique Nad+-Dependent Deacetylation Mechanism
Proc.Natl.Acad.Sci.USA, 110, 2013
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4BVE
 | | CRYSTAL STRUCTURE OF HUMAN SIRT3 IN COMPLEX WITH THIOALKYLIMIDATE FORMED FROM THIO-ACETYL-LYSINE ACS2-PEPTIDE | | Descriptor: | 1,2-ETHANEDIOL, ACETYL-COENZYME A SYNTHETASE 2-LIKE, MITOCHONDRIAL, ... | | Authors: | Gertz, M, Weyand, M, Steegborn, C. | | Deposit date: | 2013-06-25 | | Release date: | 2013-07-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Ex-527 Inhibits Sirtuins by Exploiting Their Unique Nad+-Dependent Deacetylation Mechanism
Proc.Natl.Acad.Sci.USA, 110, 2013
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4BV2
 | | CRYSTAL STRUCTURE OF SIR2 IN COMPLEX WITH THE INHIBITOR EX-527, 2'-O-ACETYL-ADP-RIBOSE AND DEACETYLATED P53-PEPTIDE | | Descriptor: | (1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1- carboxamide, 2'-O-ACETYL ADENOSINE-5-DIPHOSPHORIBOSE, CELLULAR TUMOR ANTIGEN P53, ... | | Authors: | Gertz, M, Weyand, M, Steegborn, C. | | Deposit date: | 2013-06-24 | | Release date: | 2013-07-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Ex-527 Inhibits Sirtuins by Exploiting Their Unique Nad+-Dependent Deacetylation Mechanism
Proc.Natl.Acad.Sci.USA, 110, 2013
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