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6M3U
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BU of 6m3u by Molmil
Crystal structure of the mouse endonuclease EndoG(H138A/C100A), space group C2
分子名称: Endonuclease G, mitochondrial
著者Park, K.H, Woo, E.J.
登録日2020-03-04
公開日2021-10-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Crystal structure of the mouse endonuclease EndoG(H138A/C100A), space group C2
To Be Published
6M3T
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BU of 6m3t by Molmil
Crystal structure of the mouse endonuclease EndoG(H138A/C110A), space group P41212
分子名称: Endonuclease G, mitochondrial, MAGNESIUM ION
著者Park, K.H, Woo, E.J.
登録日2020-03-04
公開日2020-08-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Crystal structure of the mouse endonuclease G.
Biochem.Biophys.Res.Commun., 526, 2020
6M3F
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BU of 6m3f by Molmil
Crystal structure of the mouse endonuclease EndoG(H138A/C110A), space group P212121
分子名称: Endonuclease G, mitochondrial, MAGNESIUM ION
著者Park, K.H, Woo, E.J.
登録日2020-03-03
公開日2020-08-12
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Crystal structure of the mouse endonuclease G.
Biochem.Biophys.Res.Commun., 526, 2020
6LYF
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BU of 6lyf by Molmil
Crystal structure of the mouse endonuclease EndoG(H138A/Se-Met)
分子名称: Endonuclease G, mitochondrial, MAGNESIUM ION
著者Park, K.H, Woo, E.J.
登録日2020-02-14
公開日2020-08-12
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of the mouse endonuclease G.
Biochem.Biophys.Res.Commun., 526, 2020
6LEH
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BU of 6leh by Molmil
Crystal structure of Autotaxin in complex with an inhibitor
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
著者Nishimasu, H, Osamu, N.
登録日2019-11-25
公開日2020-03-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification of PotentIn VivoAutotaxin Inhibitors that Bind to Both Hydrophobic Pockets and Channels in the Catalytic Domain.
J.Med.Chem., 63, 2020
6IID
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BU of 6iid by Molmil
Human EXOG-H140A in complex with RNA-DNA chimeric duplex
分子名称: DNA (5'-D(*CP*GP*TP*GP*AP*CP*AP*TP*CP*CP*CP*G)-3'), DNA/RNA (5'-R(P*CP*GP*GP*GP*A)-D(P*T)-R(P*G)-D(P*T)-R(P*CP*AP*CP*G)-3'), MAGNESIUM ION, ...
著者Wu, C.C, Lin, J.L.J, Yuan, H.S.
登録日2018-10-04
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.986 Å)
主引用文献A unique exonuclease ExoG cleaves between RNA and DNA in mitochondrial DNA replication.
Nucleic Acids Res., 47, 2019
6AEL
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BU of 6ael by Molmil
Crystal structure of ENPP1 in complex with 3'3'-cGAMP
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, ...
著者Kato, K, Nishimasu, H, Hirano, S, Hirano, H, Ishitani, R, Nureki, O.
登録日2018-08-05
公開日2019-03-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural insights into cGAMP degradation by Ecto-nucleotide pyrophosphatase phosphodiesterase 1.
Nat Commun, 9, 2018
6AEK
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BU of 6aek by Molmil
Crystal structure of ENPP1 in complex with pApG
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE MONOPHOSPHATE, ...
著者Kato, K, Nishimasu, H, Hirano, S, Hirano, H, Ishitani, R, Nureki, O.
登録日2018-08-05
公開日2019-03-06
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural insights into cGAMP degradation by Ecto-nucleotide pyrophosphatase phosphodiesterase 1.
Nat Commun, 9, 2018
5ZKJ
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BU of 5zkj by Molmil
Human EXOG-H140A in complex with RNA/DNA hybrid duplex
分子名称: CHLORIDE ION, DNA (5'-D(*CP*GP*TP*GP*AP*CP*AP*TP*CP*CP*CP*G)-3'), MAGNESIUM ION, ...
著者Wu, C.C, Lin, J.L.J, Yuan, H.S.
登録日2018-03-24
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.798 Å)
主引用文献A unique exonuclease ExoG cleaves between RNA and DNA in mitochondrial DNA replication.
Nucleic Acids Res., 47, 2019
5ZKI
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BU of 5zki by Molmil
Human EXOG-H140A in complex with duplex DNA
分子名称: CHLORIDE ION, DNA (5'-D(*CP*GP*GP*GP*AP*TP*AP*TP*CP*CP*CP*G)-3'), MAGNESIUM ION, ...
著者Wu, C.C, Lin, J.L.J, Yuan, H.S.
登録日2018-03-24
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.321 Å)
主引用文献A unique exonuclease ExoG cleaves between RNA and DNA in mitochondrial DNA replication.
Nucleic Acids Res., 47, 2019
5T5C
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BU of 5t5c by Molmil
A Novel domain in human EXOG converts apoptotic endonuclease to DNA-repair enzyme
分子名称: DNA (5'-D(P*CP*TP*GP*AP*CP*GP*TP*GP*C)-3'), DNA (5'-D(P*GP*CP*AP*CP*GP*TP*CP*AP*G)-3'), MAGNESIUM ION, ...
著者Szymanski, M.R, Yin, W.Y.
登録日2016-08-30
公開日2017-05-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.851 Å)
主引用文献A domain in human EXOG converts apoptotic endonuclease to DNA-repair exonuclease.
Nat Commun, 8, 2017
5T4I
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BU of 5t4i by Molmil
A Novel domain in human EXOG converts apoptotic endonuclease to DNA-repair enzyme
分子名称: DNA (5'-D(*GP*CP*AP*CP*GP*TP*CP*AP*G)-3'), DNA (5'-D(P*CP*TP*GP*AP*CP*GP*TP*GP*C)-3'), MANGANESE (II) ION, ...
著者Szymanski, M.R, Yin, W.Y.
登録日2016-08-29
公開日2017-05-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.389 Å)
主引用文献A domain in human EXOG converts apoptotic endonuclease to DNA-repair exonuclease.
Nat Commun, 8, 2017
5T40
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BU of 5t40 by Molmil
A Novel domain in human EXOG converts apoptotic endonuclease to DNA-repair enzyme
分子名称: MAGNESIUM ION, Nuclease EXOG, mitochondrial, ...
著者Szymanski, M.R, Yin, W.Y.
登録日2016-08-27
公開日2017-05-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献A domain in human EXOG converts apoptotic endonuclease to DNA-repair exonuclease.
Nat Commun, 8, 2017
5T3V
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BU of 5t3v by Molmil
A Novel domain in human EXOG converts apoptotic endonuclease to DNA-repair enzyme
分子名称: MANGANESE (II) ION, Nuclease EXOG, mitochondrial, ...
著者Szymanski, M.R, Yin, W.Y.
登録日2016-08-26
公開日2017-05-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A domain in human EXOG converts apoptotic endonuclease to DNA-repair exonuclease.
Nat Commun, 8, 2017
5S9N
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BU of 5s9n by Molmil
AUTOTAXIN, [4-(trifluoromethoxy)phenyl]methyl (3aS,6aS)-2-(1H-benzotriazole-5-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate, 1.80A, P212121, Rfree=23.3%
分子名称: CALCIUM ION, CHLORIDE ION, Isoform 2 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ...
著者Stihle, M, Hunziker, D, Benz, J, Mattei, P, Rudolph, M.G.
登録日2021-03-31
公開日2022-04-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of a rat Autotaxin complex
To be published
5S9M
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AUTOTAXIN, (3,5-dichlorophenyl)methyl (3aS,8aR)-2-(1H-benzotriazole-5-carbonyl)-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepine-6-carboxylate, 1.80A, P212121, Rfree=21.1%
分子名称: (3,5-dichlorophenyl)methyl (3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepine-6(1H)-carboxylate, ACETATE ION, CALCIUM ION, ...
著者Stihle, M, Hunziker, D, Benz, J, Mattei, P, Rudolph, M.G.
登録日2021-03-31
公開日2022-04-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of a rat Autotaxin complex
To be published
5S9L
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BU of 5s9l by Molmil
AUTOTAXIN, 4-[3-Oxo-3-(2-oxo-2,3-dihydro-benzooxazol-6-yl)-propyl]-piperazine-1-carboxylic acid 3,5-dichloro-benzyl ester, 1.90A, P212121, Rfree=19.1%
分子名称: (3,5-dichlorophenyl)methyl 4-[3-oxo-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate, ACETATE ION, CALCIUM ION, ...
著者Stihle, M, Hunziker, D, Benz, J, Mattei, P, Rudolph, M.G.
登録日2021-03-31
公開日2022-04-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of a rat Autotaxin complex
To be published
5OLB
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BU of 5olb by Molmil
crystal structure of autotaxin in complex with PF-8380
分子名称: (3,5-dichlorophenyl)methyl 4-[3-oxo-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Hoerer, S, Lammens, A.
登録日2017-07-27
公開日2018-01-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Discovery of BI-2545: A Novel Autotaxin Inhibitor That Significantly Reduces LPA Levels in Vivo.
ACS Med Chem Lett, 8, 2017
5OHI
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BU of 5ohi by Molmil
Crystal structure of autotaxin in complex with BI-2545
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3,6,9,12,15-PENTAOXAHEPTADECANE, CALCIUM ION, ...
著者Hoerer, S.
登録日2017-07-17
公開日2018-01-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Discovery of BI-2545: A Novel Autotaxin Inhibitor That Significantly Reduces LPA Levels in Vivo.
ACS Med Chem Lett, 8, 2017
5MHP
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BU of 5mhp by Molmil
Novel Imidazo[1,2-a]pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity
分子名称: 2-[[2-ethyl-8-methyl-6-[4-[2-(3-oxidanylazetidin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methyl-amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Fleury, D, Mueller, I, Lamers, M, Triballeau, N, Mollat, P, Vercheval, L.
登録日2016-11-25
公開日2017-08-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Discovery of 2-[[2-Ethyl-6-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]methylamino]-4-(4-fluorophenyl)thiazole-5-carbonitrile (GLPG1690), a First-in-Class Autotaxin Inhibitor Undergoing Clinical Evaluation for the Treatment of Idiopathic Pulmonary Fibrosis.
J. Med. Chem., 60, 2017
5M7M
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BU of 5m7m by Molmil
Novel Imidazo[1,2-a]pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity
分子名称: CHLORIDE ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, IODIDE ION, ...
著者Wolhkoning, A, Fleury, D, Leonard, P, Triballeau, N, Mollat, P, Vercheval, L.
登録日2016-10-28
公開日2017-08-30
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery, Structure-Activity Relationship, and Binding Mode of an Imidazo[1,2-a]pyridine Series of Autotaxin Inhibitors.
J. Med. Chem., 60, 2017
5M0S
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BU of 5m0s by Molmil
Structure-based evolution of a hybrid steroid series of Autotaxin inhibitors
分子名称: CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, GLYCEROL, ...
著者Keune, W.-J, Heidebrecht, T, Perrakis, A.
登録日2016-10-05
公開日2017-08-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Rational Design of Autotaxin Inhibitors by Structural Evolution of Endogenous Modulators.
J. Med. Chem., 60, 2017
5M0M
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BU of 5m0m by Molmil
Structure-based evolution of a hybrid steroid series of Autotaxin inhibitors
分子名称: (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ...
著者Keune, W.-J, Heidebrecht, T, Perrakis, A.
登録日2016-10-05
公開日2017-08-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Rational Design of Autotaxin Inhibitors by Structural Evolution of Endogenous Modulators.
J. Med. Chem., 60, 2017
5M0E
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BU of 5m0e by Molmil
Structure-based evolution of a hybrid steroid series of Autotaxin inhibitors
分子名称: 7alpha-hydroxycholesterol, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ...
著者Keune, W.-J, Heidebrecht, T, Perrakis, A.
登録日2016-10-04
公開日2017-08-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Rational Design of Autotaxin Inhibitors by Structural Evolution of Endogenous Modulators.
J. Med. Chem., 60, 2017
5M0D
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BU of 5m0d by Molmil
Structure-based evolution of a hybrid steroid series of Autotaxin inhibitors
分子名称: CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2,Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, GLYCEROL, ...
著者Keune, W.-J, Heidebrecht, T, Perrakis, A.
登録日2016-10-04
公開日2017-08-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Rational Design of Autotaxin Inhibitors by Structural Evolution of Endogenous Modulators.
J. Med. Chem., 60, 2017

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