3NKQ
 
 | | Crystal structure of mouse autotaxin in complex with 18:3-LPA | | 分子名称: | (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E,12Z,15Z)-octadeca-9,12,15-trienoate, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Nishimasu, H, Ishitani, R, Mihara, E, Takagi, J, Aoki, J, Nureki, O. | | 登録日 | 2010-06-20 | | 公開日 | 2011-01-19 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Crystal structure of autotaxin and insight into GPCR activation by lipid mediators
Nat.Struct.Mol.Biol., 18, 2011
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6WET
 | | Crystal structures of human E-NPP 1: apo | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Peat, T.S, Dennis, M, Newman, J. | | 登録日 | 2020-04-02 | | 公開日 | 2020-09-09 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Crystal structures of human ENPP1 in apo and bound forms.
Acta Crystallogr D Struct Biol, 76, 2020
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6WEV
 | | Crystal structures of human E-NPP 1: bound to N-{[1-(6,7-dimethoxy-5,8-dihydroquinazolin-4-yl)piperidin-4-yl]methyl}sulfuric diamide | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Peat, T.S, Dennis, M, Newman, J. | | 登録日 | 2020-04-03 | | 公開日 | 2020-09-09 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Crystal structures of human ENPP1 in apo and bound forms.
Acta Crystallogr D Struct Biol, 76, 2020
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6XKD
 | | Structure of ligand-bound mouse cGAMP hydrolase ENPP1 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Fernandez, D, Li, L. | | 登録日 | 2020-06-26 | | 公開日 | 2021-06-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Structure-Aided Development of Small-Molecule Inhibitors of ENPP1, the Extracellular Phosphodiesterase of the Immunotransmitter cGAMP.
Cell Chem Biol, 27, 2020
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6Y5M
 | | Crystal structure of mouse Autotaxin in complex with compound 1a | | 分子名称: | (~{E})-3-[4-chloranyl-2-[(5-methyl-1,2,3,4-tetrazol-2-yl)methyl]phenyl]-1-[(2~{R})-4-[(4-fluorophenyl)methyl]-2-methyl-piperazin-1-yl]prop-2-en-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | 著者 | Faller, M, Zink, F. | | 登録日 | 2020-02-25 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.011 Å) | | 主引用文献 | Development of autotaxin inhibitors: A series of tetrazole cinnamides.
Bioorg.Med.Chem.Lett., 31, 2021
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6WEU
 | | Crystal structures of human E-NPP 1: bound to adenosine-5'-thio-monophosphate | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Peat, T.S, Dennis, M, Newman, J. | | 登録日 | 2020-04-03 | | 公開日 | 2020-09-09 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Crystal structures of human ENPP1 in apo and bound forms.
Acta Crystallogr D Struct Biol, 76, 2020
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6WFJ
 | | Crystal structures of human E-NPP 1: apo | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Peat, T.S, Dennis, M, Newman, J. | | 登録日 | 2020-04-03 | | 公開日 | 2020-09-09 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystal structures of human ENPP1 in apo and bound forms.
Acta Crystallogr D Struct Biol, 76, 2020
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5S9L
 | | 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
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5S9M
 | | 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
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5S9N
 | | 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
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5GZ4
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5GZ5
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5HRT
 | | Crystal structure of mouse autotaxin in complex with a DNA aptamer | | 分子名称: | CALCIUM ION, CHLORIDE ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ... | | 著者 | Kato, K, Nishimasu, H, Morita, J, Ishitani, R, Nureki, O. | | 登録日 | 2016-01-24 | | 公開日 | 2016-04-06 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (1.997 Å) | | 主引用文献 | Structural basis for specific inhibition of Autotaxin by a DNA aptamer
Nat.Struct.Mol.Biol., 23, 2016
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5IJS
 | | Crystal structure of autotaxin with orthovanadate bound as a trigonal bipyramidal intermediate analog | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7alpha-hydroxycholesterol, CALCIUM ION, ... | | 著者 | Hausmann, J, Joosten, R.P, Perrakis, A. | | 登録日 | 2016-03-02 | | 公開日 | 2016-06-15 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural snapshots of the catalytic cycle of the phosphodiesterase Autotaxin.
J.Struct.Biol., 195, 2016
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5INH
 | | Crystal structure of Autotaxin/ENPP2 with a covalent fragment | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | | 著者 | Klein, M.G, Tjhen, R. | | 登録日 | 2016-03-07 | | 公開日 | 2017-03-15 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Repurposing Suzuki Coupling Reagents as a Directed Fragment Library Targeting Serine Hydrolases and Related Enzymes.
J. Med. Chem., 60, 2017
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5IJQ
 | | Crystal structure of autotaxin (ENPP2) re-refined | | 分子名称: | 7alpha-hydroxycholesterol, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ... | | 著者 | Hausmann, J, Joosten, R.P, Perrakis, A. | | 登録日 | 2016-03-02 | | 公開日 | 2016-06-15 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Structural snapshots of the catalytic cycle of the phosphodiesterase Autotaxin.
J.Struct.Biol., 195, 2016
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5L0K
 | | Crystal Structure of Autotaxin and Compound 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, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Durbin, J.D. | | 登録日 | 2016-07-27 | | 公開日 | 2016-08-10 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | | 主引用文献 | Novel Autotaxin Inhibitors for the Treatment of Osteoarthritis Pain: Lead Optimization via Structure-Based Drug Design.
Acs Med.Chem.Lett., 7, 2016
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5KXA
 | | Selective Inhibition of Autotaxin is Effective in Mouse Models of Liver Fibrosis | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[6-chloranyl-2-cyclopropyl-1-(1-ethylpyrazol-4-yl)-7-fluoranyl-indol-3-yl]sulfanyl-2-fluoranyl-benzoic acid, CALCIUM ION, ... | | 著者 | Stein, A.J, Bain, G, Hutchinson, J.H, Evans, J.F. | | 登録日 | 2016-07-20 | | 公開日 | 2016-11-09 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | | 主引用文献 | Selective Inhibition of Autotaxin Is Efficacious in Mouse Models of Liver Fibrosis.
J. Pharmacol. Exp. Ther., 360, 2017
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5L0B
 | | Crystal Structure of Autotaxin and Compound 1 | | 分子名称: | 1-{2-[(2,3-dihydro-1H-inden-2-yl)amino]-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl}ethan-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | 著者 | Durbin, J.D. | | 登録日 | 2016-07-27 | | 公開日 | 2016-08-10 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | Novel Autotaxin Inhibitors for the Treatment of Osteoarthritis Pain: Lead Optimization via Structure-Based Drug Design.
Acs Med.Chem.Lett., 7, 2016
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5L0E
 | | Crystal Structure of Autotaxin and Compound 1 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-(3-{2-[(2,3-dihydro-1H-inden-2-yl)amino]-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl}propanoyl)-1,3-benzoxazol-2(3H)-one, CHLORIDE ION, ... | | 著者 | Durbin, J.D. | | 登録日 | 2016-07-27 | | 公開日 | 2016-08-10 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (3.06 Å) | | 主引用文献 | Novel Autotaxin Inhibitors for the Treatment of Osteoarthritis Pain: Lead Optimization via Structure-Based Drug Design.
Acs Med.Chem.Lett., 7, 2016
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5LIA
 | | Crystal structure of murine autotaxin in complex with a small molecule inhibitor | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Turnbull, A.P, Shah, P, Cheasty, A, Raynham, T, Pang, L, Owen, P. | | 登録日 | 2016-07-14 | | 公開日 | 2016-11-09 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Discovery of potent inhibitors of the lysophospholipase autotaxin.
Bioorg. Med. Chem. Lett., 26, 2016
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5LQQ
 | | Structure of Autotaxin (ENPP2) with LM350 | | 分子名称: | 3-(6-chloranyl-2-methyl-1-phenyl-indol-3-yl)sulfanylbenzoic acid, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ... | | 著者 | Keune, W.J, Heidebrecht, T, Castelmur, E, Joosten, R.P, Perrakis, A. | | 登録日 | 2016-08-17 | | 公開日 | 2016-12-28 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structure-Activity Relationships of Small Molecule Autotaxin Inhibitors with a Discrete Binding Mode.
J. Med. Chem., 60, 2017
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5M0M
 | | 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
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5M0S
 | | 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
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5M0D
 | | 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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