2YS0
| Solution structure of the Somatomedin B domain of human Ectonucleotide pyrophosphatase/phosphodiesterase family member | 分子名称: | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 著者 | Abe, H, Sasagawa, A, Tochio, N, Tomizawa, T, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | 登録日 | 2007-04-03 | 公開日 | 2007-10-09 | 最終更新日 | 2022-03-16 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of the Somatomedin B domain of human Ectonucleotide pyrophosphatase/phosphodiesterase family member To be Published
|
|
2JQ8
| Solution structure of the Somatomedin B domain from vitronectin produced in Pichia pastoris | 分子名称: | Vitronectin | 著者 | Gaardsvoll, H, Hirschberg, D, Nielbo, S, Mayasundari, A, Peterson, C.B, Jansson, A, Jorgensen, T.J.D, Poulsen, F.M. | 登録日 | 2007-05-30 | 公開日 | 2007-09-11 | 最終更新日 | 2023-12-20 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of recombinant somatomedin B domain from vitronectin produced in Pichia pastoris Protein Sci., 16, 2007
|
|
1S4G
| Somatomedin-B Domain of human plasma vitronectin. | 分子名称: | HYDROXIDE ION, Vitronectin | 著者 | Mayasundari, A, Whittemore, N.A, Serpersu, E.H, Peterson, C.B. | 登録日 | 2004-01-16 | 公開日 | 2004-06-08 | 最終更新日 | 2022-03-02 | 実験手法 | SOLUTION NMR | 主引用文献 | The solution structure of the N-terminal domain of human vitronectin: proximal sites that regulate fibrinolysis and cell migration J.Biol.Chem., 279, 2004
|
|
1SSU
| Structural and biochemical evidence for disulfide bond heterogeneity in active forms of the somatomedin B domain of human vitronectin | 分子名称: | Vitronectin | 著者 | Kamikubo, Y, De Guzman, R, Kroon, G, Curriden, S, Neels, J.G, Churchill, M.J, Dawson, P, Oldziej, S, Jagielska, A, Scheraga, H.A, Loskutoff, D.J, Dyson, H.J. | 登録日 | 2004-03-24 | 公開日 | 2004-07-27 | 最終更新日 | 2022-03-02 | 実験手法 | SOLUTION NMR | 主引用文献 | Disulfide bonding arrangements in active forms of the somatomedin B domain of human vitronectin. Biochemistry, 43, 2004
|
|
5M7M
| 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
|
|
6G4G
| Full length ectodomain of ectonucleotide phosphodiesterase/pyrophosphatase-3 (NPP3) including the SMB domains but with a partially disordered active site structure | 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 | Dohler, C, Zebisch, M, Strater, N. | 登録日 | 2018-03-27 | 公開日 | 2018-11-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Crystallization of ectonucleotide phosphodiesterase/pyrophosphatase-3 and orientation of the SMB domains in the full-length ectodomain. Acta Crystallogr F Struct Biol Commun, 74, 2018
|
|
7CBA
| |
6LEH
| |
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
|
|
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
|
|
7Z3K
| Autotaxin in complex with orthosteric site-binder CpdA | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7alpha-hydroxycholesterol, 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 Å) | 主引用文献 | Autotaxin facilitates selective LPA receptor signaling. Cell Chem Biol, 30, 2023
|
|
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
|
|
2XRG
| Crystal structure of Autotaxin (ENPP2) in complex with the HA155 boronic acid inhibitor | 分子名称: | CALCIUM ION, ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE FAMILY MEMBER 2, IODIDE ION, ... | 著者 | Hausmann, J, Albers, H.M.H.G, Perrakis, A. | 登録日 | 2010-09-14 | 公開日 | 2011-01-19 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Structural Basis of Substrate Discrimination and Integrin Binding by Autotaxin. Nat.Struct.Mol.Biol., 18, 2011
|
|
2XR9
| Crystal structure of Autotaxin (ENPP2) | 分子名称: | CALCIUM ION, ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE FAMILY MEMBER 2, IODIDE ION, ... | 著者 | Kamtekar, S, Hausmann, J, Day, J.E, Christodoulou, E, Perrakis, A. | 登録日 | 2010-09-13 | 公開日 | 2011-01-19 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Structural basis of substrate discrimination and integrin binding by autotaxin. Nat. Struct. Mol. Biol., 18, 2011
|
|
6C02
| Human ectonucleotide pyrophosphatase / phosphodiesterase 3 (ENPP3, NPP3, CD203c), inactive (T205A), N594S, with alpha,beta-methylene-ATP (AMPCPP) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | 著者 | Gorelik, A, Randriamihaja, A, Illes, K, Nagar, B. | 登録日 | 2017-12-27 | 公開日 | 2018-05-02 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.942 Å) | 主引用文献 | Structural basis for nucleotide recognition by the ectoenzyme CD203c. FEBS J., 285, 2018
|
|
4GTX
| Crystal structure of mouse Enpp1 in complex with TMP | 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 | Kato, K, Nishimasu, H, Ishitani, R, Nureki, O. | 登録日 | 2012-08-29 | 公開日 | 2012-11-07 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (3.201 Å) | 主引用文献 | Crystal structure of Enpp1, an extracellular glycoprotein involved in bone mineralization and insulin signaling. Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
6C01
| Human ectonucleotide pyrophosphatase / phosphodiesterase 3 (ENPP3, NPP3, CD203c) | 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Gorelik, A, Randriamihaja, A, Illes, K, Nagar, B. | 登録日 | 2017-12-27 | 公開日 | 2018-05-02 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural basis for nucleotide recognition by the ectoenzyme CD203c. FEBS J., 285, 2018
|
|
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
|
|
5DLV
| Crystal structure of Autotaxin (ENPP2) with tauroursodeoxycholic acid (TUDCA) | 分子名称: | 2-{[(3alpha,5beta,7alpha,8alpha,14beta,17alpha)-3,7-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ... | 著者 | Keune, W.J, Heidebrecht, T, von Castelmur, E, Joosten, R.P, Perrakis, A. | 登録日 | 2015-09-07 | 公開日 | 2016-04-13 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Steroid binding to Autotaxin links bile salts and lysophosphatidic acid signalling. Nat Commun, 7, 2016
|
|
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
|
|
7P4O
| Crystal structure of Autotaxin and 9(R)-delta6a,10a-THC | 分子名称: | (9~{R},10~{a}~{S})-6,6,9-trimethyl-3-pentyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7alpha-hydroxycholesterol, ... | 著者 | Eymery, M.C, McCarthy, A.A, Hausmann, J. | 登録日 | 2021-07-12 | 公開日 | 2022-12-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Linking medicinal cannabis to autotaxin-lysophosphatidic acid signaling. Life Sci Alliance, 6, 2023
|
|
7P4J
| Crystal structure of Autotaxin and tetrahydrocannabinol | 分子名称: | (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7alpha-hydroxycholesterol, ... | 著者 | Eymery, M.C, McCarthy, A.A, Hausmann, J. | 登録日 | 2021-07-11 | 公開日 | 2022-12-28 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Linking medicinal cannabis to autotaxin-lysophosphatidic acid signaling. Life Sci Alliance, 6, 2023
|
|
5OHI
| 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
|
|
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
|
|
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
|
|