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7WEW
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BU of 7wew by Molmil
Structure of adenylation domain of epsilon-poly-L-lysine synthase
Descriptor: ADENOSINE-5'-[LYSYL-PHOSPHATE], Epsilon-poly-L-lysine synthase, GLYCEROL, ...
Authors:Okamoto, T, Yamanaka, K, Hamano, Y, Nagano, S, Hino, T.
Deposit date:2021-12-24
Release date:2022-02-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the adenylation domain from an epsilon-poly-l-lysine synthetase provides molecular mechanism for substrate specificity
Biochem.Biophys.Res.Commun., 596, 2022
3VYJ
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BU of 3vyj by Molmil
Crystal structure of C-type lectin domain of murine dendritic cell inhibitory receptor 2 (apo form)
Descriptor: C-type lectin domain family 4, member a4, SULFATE ION
Authors:Nagae, M, Yamanaka, K, Hanashima, S, Ikeda, A, Satoh, T, Matsumoto, N, Yamamoto, K, Yamaguchi, Y.
Deposit date:2012-09-26
Release date:2013-10-02
Last modified:2013-12-11
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Recognition of Bisecting N-Acetylglucosamine: STRUCTURAL BASIS FOR ASYMMETRIC INTERACTION WITH THE MOUSE LECTIN DENDRITIC CELL INHIBITORY RECEPTOR 2
J.Biol.Chem., 288, 2013
3VYK
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BU of 3vyk by Molmil
Crystal structure of C-type lectin domain of murine dendritic cell inhibitory receptor 2 in complex with N-glycan
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)][2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]methyl alpha-D-mannopyranoside, C-type lectin domain family 4, ...
Authors:Nagae, M, Yamanaka, K, Hanashima, S, Ikeda, A, Satoh, T, Matsumoto, N, Yamamoto, K, Yamaguchi, Y.
Deposit date:2012-09-26
Release date:2013-10-02
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Recognition of Bisecting N-Acetylglucosamine: STRUCTURAL BASIS FOR ASYMMETRIC INTERACTION WITH THE MOUSE LECTIN DENDRITIC CELL INHIBITORY RECEPTOR 2
J.Biol.Chem., 288, 2013
8HUB
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BU of 8hub by Molmil
AMP deaminase 2 in complex with an inhibitor
Descriptor: 3,3-dimethyl-4-(phenylmethyl)-2~{H}-quinoxaline-1-carboxamide, AMP deaminase 2, ZINC ION
Authors:Adachi, T, Doi, S.
Deposit date:2022-12-23
Release date:2023-01-18
Last modified:2023-02-15
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:The discovery of 3,3-dimethyl-1,2,3,4-tetrahydroquinoxaline-1-carboxamides as AMPD2 inhibitors with a novel mechanism of action.
Bioorg.Med.Chem.Lett., 80, 2023
8HU6
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BU of 8hu6 by Molmil
AMP deaminase 2 in complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, AMP deaminase 2, SULFATE ION, ...
Authors:Adachi, T, Doi, S.
Deposit date:2022-12-22
Release date:2023-01-18
Last modified:2023-02-15
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:The discovery of 3,3-dimethyl-1,2,3,4-tetrahydroquinoxaline-1-carboxamides as AMPD2 inhibitors with a novel mechanism of action.
Bioorg.Med.Chem.Lett., 80, 2023
8JBY
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BU of 8jby by Molmil
Vascular endothelial protein tyrosine phosphatase in complex with Cpd-2
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-(hydroxymethyl)-5-(1-methylindol-3-yl)-1,2-oxazole-3-carboxylic acid, ...
Authors:Orita, T, Furuzono, T, Doi, S, Adachi, T.
Deposit date:2023-05-10
Release date:2024-02-28
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Fragment-Based Discovery of Novel VE-PTP Inhibitors Using Orthogonal Biophysical Techniques.
Biochemistry, 62, 2023
8JBN
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BU of 8jbn by Molmil
Vascular endothelial protein tyrosine phosphatase in complex with Cpd-1
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-(1~{H}-indol-3-yl)-1,2-oxazole-3-carboxylic acid, ...
Authors:Orita, T, Furuzono, T, Doi, S, Adachi, T.
Deposit date:2023-05-09
Release date:2024-02-28
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Fragment-Based Discovery of Novel VE-PTP Inhibitors Using Orthogonal Biophysical Techniques.
Biochemistry, 62, 2023
7T8H
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BU of 7t8h by Molmil
G93A mutant of human SOD1 bound with MR6-26-2 in P21 space group
Descriptor: ACETATE ION, SULFATE ION, Superoxide dismutase [Cu-Zn], ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2021-12-16
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Disease Onset and its course are delayed by on-target Cellular SOD1 Engagement of Organo-selenium drug compounds for Amyotrophic Lateral Sclerosis
To Be Published
7T8F
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BU of 7t8f by Molmil
G93A mutant of human SOD1 bound with Ebselen in P21 space group
Descriptor: ACETATE ION, N-phenyl-2-selanylbenzamide, Superoxide dismutase [Cu-Zn], ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2021-12-16
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Disease Onset and its course are delayed by on-target Cellular SOD1 Engagement of Organo-selenium drug compounds for Amyotrophic Lateral Sclerosis
To Be Published
7T8G
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BU of 7t8g by Molmil
G93A mutant of human SOD1 bound with MR6-8-2 in P21 space group
Descriptor: ACETATE ION, SELENIUM ATOM, SULFATE ION, ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2021-12-16
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Disease Onset and its course are delayed by on-target Cellular SOD1 Engagement of Organo-selenium drug compounds for Amyotrophic Lateral Sclerosis
To Be Published
7T8E
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BU of 7t8e by Molmil
G93A mutant of human SOD1 in P21 space group
Descriptor: ACETATE ION, SULFATE ION, Superoxide dismutase [Cu-Zn], ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2021-12-16
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Disease Onset and its course are delayed by on-target Cellular SOD1 Engagement of Organo-selenium drug compounds for Amyotrophic Lateral Sclerosis
To Be Published
6Z4K
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BU of 6z4k by Molmil
A4V mutant of human SOD1 bound with benzyl benzoisoselenazolone derivative 6 in P21 space group
Descriptor: CHLORIDE ION, Superoxide dismutase [Cu-Zn], ZINC ION, ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2020-05-25
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
6Z4J
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BU of 6z4j by Molmil
A4V mutant of human SOD1 bound with benzyl benzoisoselenazolone derivative 5 in P21 space group
Descriptor: CHLORIDE ION, Superoxide dismutase [Cu-Zn], ZINC ION, ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2020-05-25
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
6Z4M
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BU of 6z4m by Molmil
A4V mutant of human SOD1 bound with 2-(pyridin-3-ylmethyl)benzoisoselenazolone derivative 10 in P21 space group
Descriptor: CHLORIDE ION, SULFATE ION, Superoxide dismutase [Cu-Zn], ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2020-05-25
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
6Z4H
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BU of 6z4h by Molmil
A4V mutant of human SOD1 bound with benzyl benzoisoselenazolone derivative 2 in P21 space group
Descriptor: SULFATE ION, Superoxide dismutase [Cu-Zn], ZINC ION, ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2020-05-25
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
6Z4L
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BU of 6z4l by Molmil
A4V mutant of human SOD1 bound with 2-(pyridin-3-ylmethyl)benzoisoselenazolone derivative 9 in P21 space group
Descriptor: SULFATE ION, Superoxide dismutase [Cu-Zn], ZINC ION, ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2020-05-25
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
6Z4G
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BU of 6z4g by Molmil
A4V mutant of human SOD1 bound with ebselen in P21 space group
Descriptor: ACETATE ION, CHLORIDE ION, N-phenyl-2-selanylbenzamide, ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2020-05-25
Release date:2020-09-16
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
6Z3V
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BU of 6z3v by Molmil
A4V mutant of human SOD1 bound with N-aryl benzoisoselenazolone derivative 13 in P21 space group
Descriptor: 5-fluoranyl-~{N}-(3-morpholin-4-ylcarbonylphenyl)-2-selanyl-benzamide, SULFATE ION, Superoxide dismutase [Cu-Zn], ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2020-05-22
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
6Z4I
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BU of 6z4i by Molmil
A4V mutant of human SOD1 bound with benzyl benzoisoselenazolone derivative 3 in P21 space group
Descriptor: ACETATE ION, SULFATE ION, Superoxide dismutase [Cu-Zn], ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2020-05-25
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
6Z4O
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BU of 6z4o by Molmil
A4V mutant of human SOD1 bound with benzyl benzoisoselenazolone derivative 1 in P21 space group
Descriptor: SULFATE ION, Superoxide dismutase [Cu-Zn], ZINC ION, ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2020-05-25
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
7WWY
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BU of 7wwy by Molmil
M117L variant of Cu/Zn-superoxide dismutase from dog (Canis familiaris)
Descriptor: COPPER (II) ION, Superoxide dismutase [Cu-Zn], ZINC ION
Authors:Narikiyo, S, Furukawa, Y, Akutsu, M.
Deposit date:2022-02-14
Release date:2023-02-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Intrinsic structural vulnerability in the hydrophobic core induces species-specific aggregation of canine SOD1 with degenerative myelopathy-linked E40K mutation.
J.Biol.Chem., 299, 2023
7WX0
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BU of 7wx0 by Molmil
E40K variant of Cu/Zn-superoxide dismutase from dog (Canis familiaris)
Descriptor: COPPER (II) ION, Superoxide dismutase [Cu-Zn], ZINC ION
Authors:Narikiyo, S, Furukawa, Y, Akutsu, M.
Deposit date:2022-02-14
Release date:2023-02-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Intrinsic structural vulnerability in the hydrophobic core induces species-specific aggregation of canine SOD1 with degenerative myelopathy-linked E40K mutation.
J.Biol.Chem., 299, 2023
7WWT
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BU of 7wwt by Molmil
Cu/Zn-superoxide dismutase from dog (Canis familiaris)
Descriptor: COPPER (II) ION, Superoxide dismutase [Cu-Zn], ZINC ION
Authors:Narikiyo, S, Furukawa, Y, Akutsu, M.
Deposit date:2022-02-14
Release date:2023-02-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Intrinsic structural vulnerability in the hydrophobic core induces species-specific aggregation of canine SOD1 with degenerative myelopathy-linked E40K mutation.
J.Biol.Chem., 299, 2023
7WX1
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BU of 7wx1 by Molmil
E40K/M117L variant of Cu/Zn-superoxide dismutase from dog (Canis familiaris)
Descriptor: COPPER (II) ION, Superoxide dismutase [Cu-Zn], ZINC ION
Authors:Narikiyo, S, Furukawa, Y, Akutsu, M.
Deposit date:2022-02-14
Release date:2023-02-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Intrinsic structural vulnerability in the hydrophobic core induces species-specific aggregation of canine SOD1 with degenerative myelopathy-linked E40K mutation.
J.Biol.Chem., 299, 2023
7EBG
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BU of 7ebg by Molmil
Crystal structure of human pyruvate dehydrogenase kinase 4 in complex with compound 7
Descriptor: 3,3-dimethyl-7-(methylamino)-1H-indol-2-one, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Orita, T, Doi, S, Iwanaga, T, Adachi, T.
Deposit date:2021-03-09
Release date:2021-08-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases.
Bioorg.Med.Chem., 44, 2021

 

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