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8A4J
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BU of 8a4j by Molmil
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
8A4K
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BU of 8a4k by Molmil
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
4BV3
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BU of 4bv3 by Molmil
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
4BVB
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BU of 4bvb by Molmil
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
7YWD
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BU of 7ywd by Molmil
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
7Q6K
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BU of 7q6k by Molmil
Crystal structure of the human GDAP1 CMT2 mutant-R120W
Descriptor: 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 (3.41 Å)
Cite:Structural insights into Charcot-Marie-Tooth disease-linked mutations in human GDAP1.
Febs Open Bio, 12, 2022
7Q6J
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BU of 7q6j by Molmil
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
8TAY
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BU of 8tay by Molmil
The crystal structure of T252E CYP199A4 bound to 4-(thiophen-3-yl)benzoic acid
Descriptor: 4-(thiophen-3-yl)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M.N, Bell, S.G.
Deposit date:2023-06-28
Release date:2023-10-25
Method:X-RAY DIFFRACTION (2.021 Å)
Cite:Characterisation of the heme aqua-ligand coordination environment in an engineered peroxygenase cytochrome P450 variant.
J.Inorg.Biochem., 249, 2023
8TAW
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BU of 8taw by Molmil
The crystal structure of T252E CYP199A4 bound to 4-(pyridin-2-yl)benzoic acid
Descriptor: 4-(pyridin-2-yl)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M.N, Bell, S.G.
Deposit date:2023-06-28
Release date:2023-10-25
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Characterisation of the heme aqua-ligand coordination environment in an engineered peroxygenase cytochrome P450 variant.
J.Inorg.Biochem., 249, 2023
8TNK
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BU of 8tnk by Molmil
The crystal structure of the T252E mutant of CYP199A4 bound to 4-benzylbenzoic acid
Descriptor: 4-benzylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M.N, Bell, S.G.
Deposit date:2023-08-02
Release date:2023-10-25
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Characterisation of the heme aqua-ligand coordination environment in an engineered peroxygenase cytochrome P450 variant.
J.Inorg.Biochem., 249, 2023
4BV2
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BU of 4bv2 by Molmil
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
4BVH
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BU of 4bvh by Molmil
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
4BUZ
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BU of 4buz by Molmil
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
4BVF
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BU of 4bvf by Molmil
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
4BVE
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BU of 4bve by Molmil
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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