5GZ5
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![BU of 5gz5 by Molmil](/molmil-images/mine/5gz5) | |
5M0M
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![BU of 5m0m by Molmil](/molmil-images/mine/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
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![BU of 5m0s by Molmil](/molmil-images/mine/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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7R6V
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![BU of 7r6v by Molmil](/molmil-images/mine/7r6v) | |
7P0K
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![BU of 7p0k by Molmil](/molmil-images/mine/7p0k) | Crystal structure of Autotaxin (ENPP2) with 18F-labeled positron emission tomography ligand | 分子名称: | 2-[[2-ethyl-6-[4-[2-[(3~{R})-3-fluoranylpyrrolidin-1-yl]-2-oxidanylidene-ethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methyl-amino]-4-(4-fluorophenyl)-2,3-dihydro-1,3-thiazole-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | 著者 | Salgado-Polo, F, Shao, T, Xiao, Z, Van, R, Chen, J, Rong, J, Haider, A, Shao, Y, Josephson, L, Perrakis, A, Liang, S.H. | 登録日 | 2021-06-29 | 公開日 | 2022-07-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Imaging Autotaxin In Vivo with 18 F-Labeled Positron Emission Tomography Ligands J Med Chem, 64, 2021
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3ISM
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![BU of 3ism by Molmil](/molmil-images/mine/3ism) | Crystal structure of the EndoG/EndoGI complex: Mechanism of EndoG inhibition | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CG4930, CG8862, ... | 著者 | Loll, B, Gebhardt, M, Wahle, E, Meinhart, A. | 登録日 | 2009-08-26 | 公開日 | 2009-09-08 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystal structure of the EndoG/EndoGI complex: mechanism of EndoG inhibition. Nucleic Acids Res., 37, 2009
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5IJS
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![BU of 5ijs by Molmil](/molmil-images/mine/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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5GKP
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![BU of 5gkp by Molmil](/molmil-images/mine/5gkp) | |
7MFH
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![BU of 7mfh by Molmil](/molmil-images/mine/7mfh) | Crystal structure of BIO-32546 bound mouse Autotaxin | 分子名称: | (1R,3S,5S)-8-{(1S)-1-[8-(trifluoromethyl)-7-{[(1s,4R)-4-(trifluoromethyl)cyclohexyl]oxy}naphthalen-2-yl]ethyl}-8-azabicyclo[3.2.1]octane-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Chodaparambil, J.V. | 登録日 | 2021-04-09 | 公開日 | 2022-04-13 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Discovery of Potent Selective Nonzinc Binding Autotaxin Inhibitor BIO-32546. Acs Med.Chem.Lett., 12, 2021
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2O3B
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![BU of 2o3b by Molmil](/molmil-images/mine/2o3b) | Crystal structure complex of Nuclease A (NucA) with intra-cellular inhibitor NuiA | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, NICKEL (II) ION, ... | 著者 | Ghosh, M, Meiss, G, Pingoud, A.M, London, R.E, Pedersen, L.C. | 登録日 | 2006-12-01 | 公開日 | 2006-12-19 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | The nuclease a-inhibitor complex is characterized by a novel metal ion bridge. J.Biol.Chem., 282, 2007
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6M3U
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![BU of 6m3u by Molmil](/molmil-images/mine/6m3u) | |
5ZKI
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![BU of 5zki by Molmil](/molmil-images/mine/5zki) | 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
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6NJU
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![BU of 6nju by Molmil](/molmil-images/mine/6nju) | Mouse endonuclease G mutant H97A bound to A-DNA | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DNA (5'-D(CCGGCGCCGG)-3'), ... | 著者 | Vander Zanden, C.M, Ho, E.N, Czarny, R.S, Robertson, A.B, Ho, P.S. | 登録日 | 2019-01-04 | 公開日 | 2020-01-08 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Structural adaptation of vertebrate endonuclease G for 5-hydroxymethylcytosine recognition and function. Nucleic Acids Res., 48, 2020
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6M3T
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![BU of 6m3t by Molmil](/molmil-images/mine/6m3t) | |
8C3P
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![BU of 8c3p by Molmil](/molmil-images/mine/8c3p) | |
5T4I
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![BU of 5t4i by Molmil](/molmil-images/mine/5t4i) | |
7Z0N
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![BU of 7z0n by Molmil](/molmil-images/mine/7z0n) | Structure-Based Design of a Novel Class of Autotaxin Inhibitors Based on Endogenous Allosteric Modulators | 分子名称: | CALCIUM ION, GLYCEROL, IODIDE ION, ... | 著者 | Salgado-Polo, F, Clark, J.M, Macdonald, S.J.F, Barrett, T.N, Perrakis, A, Jamieson, A. | 登録日 | 2022-02-23 | 公開日 | 2022-05-04 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structure-Based Design of a Novel Class of Autotaxin Inhibitors Based on Endogenous Allosteric Modulators. J.Med.Chem., 65, 2022
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7Z3L
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![BU of 7z3l by Molmil](/molmil-images/mine/7z3l) | Autotaxin in complex with hybrid compound ziritaxestat (GLPG1690) | 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 | Salgado-Polo, F, Ford, P, Heckmann, B, Perrakis, A. | 登録日 | 2022-03-02 | 公開日 | 2023-01-25 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Autotaxin facilitates selective LPA receptor signaling. Cell Chem Biol, 30, 2023
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5LQQ
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![BU of 5lqq by Molmil](/molmil-images/mine/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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5M0D
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![BU of 5m0d by Molmil](/molmil-images/mine/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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5L0B
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![BU of 5l0b by Molmil](/molmil-images/mine/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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5MHP
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![BU of 5mhp by Molmil](/molmil-images/mine/5mhp) | 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
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8C3O
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![BU of 8c3o by Molmil](/molmil-images/mine/8c3o) | Crystal structure of autotaxin gamma and compound MEY-003 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5,7-bis(oxidanyl)-2-(1-pentylindol-3-yl)chromen-4-one, 7alpha-hydroxycholesterol, ... | 著者 | Eymery, M.C, McCarthy, A.A. | 登録日 | 2022-12-27 | 公開日 | 2023-11-22 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | 主引用文献 | Discovery of potent chromone-based autotaxin inhibitors inspired by cannabinoids. Eur.J.Med.Chem., 263, 2023
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6WFJ
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![BU of 6wfj by Molmil](/molmil-images/mine/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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8C7R
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![BU of 8c7r by Molmil](/molmil-images/mine/8c7r) | Crystal structure of rat autotaxin and compound MEY-003 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5,7-bis(oxidanyl)-2-(1-pentylindol-3-yl)chromen-4-one, 7alpha-hydroxycholesterol, ... | 著者 | Eymery, M.C, McCarthy, A.A. | 登録日 | 2023-01-17 | 公開日 | 2023-11-22 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | 主引用文献 | Discovery of potent chromone-based autotaxin inhibitors inspired by cannabinoids. Eur.J.Med.Chem., 263, 2023
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