2JQ8
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![BU of 2jq8 by Molmil](/molmil-images/mine/2jq8) | Solution structure of the Somatomedin B domain from vitronectin produced in Pichia pastoris | Descriptor: | Vitronectin | Authors: | Gaardsvoll, H, Hirschberg, D, Nielbo, S, Mayasundari, A, Peterson, C.B, Jansson, A, Jorgensen, T.J.D, Poulsen, F.M. | Deposit date: | 2007-05-30 | Release date: | 2007-09-11 | Last modified: | 2023-12-20 | Method: | SOLUTION NMR | Cite: | Solution structure of recombinant somatomedin B domain from vitronectin produced in Pichia pastoris Protein Sci., 16, 2007
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1S4G
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![BU of 1s4g by Molmil](/molmil-images/mine/1s4g) | Somatomedin-B Domain of human plasma vitronectin. | Descriptor: | HYDROXIDE ION, Vitronectin | Authors: | Mayasundari, A, Whittemore, N.A, Serpersu, E.H, Peterson, C.B. | Deposit date: | 2004-01-16 | Release date: | 2004-06-08 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | The solution structure of the N-terminal domain of human vitronectin: proximal sites that regulate fibrinolysis and cell migration J.Biol.Chem., 279, 2004
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1SSU
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![BU of 1ssu by Molmil](/molmil-images/mine/1ssu) | Structural and biochemical evidence for disulfide bond heterogeneity in active forms of the somatomedin B domain of human vitronectin | Descriptor: | Vitronectin | Authors: | 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. | Deposit date: | 2004-03-24 | Release date: | 2004-07-27 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | Disulfide bonding arrangements in active forms of the somatomedin B domain of human vitronectin. Biochemistry, 43, 2004
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2YS0
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![BU of 2ys0 by Molmil](/molmil-images/mine/2ys0) | Solution structure of the Somatomedin B domain of human Ectonucleotide pyrophosphatase/phosphodiesterase family member | Descriptor: | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | Authors: | Abe, H, Sasagawa, A, Tochio, N, Tomizawa, T, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-04-03 | Release date: | 2007-10-09 | Last modified: | 2022-03-16 | Method: | SOLUTION NMR | Cite: | Solution structure of the Somatomedin B domain of human Ectonucleotide pyrophosphatase/phosphodiesterase family member To be Published
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6G4G
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![BU of 6g4g by Molmil](/molmil-images/mine/6g4g) | Full length ectodomain of ectonucleotide phosphodiesterase/pyrophosphatase-3 (NPP3) including the SMB domains but with a partially disordered active site structure | Descriptor: | 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, ... | Authors: | Dohler, C, Zebisch, M, Strater, N. | Deposit date: | 2018-03-27 | Release date: | 2018-11-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | 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
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7CBA
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![BU of 7cba by Molmil](/molmil-images/mine/7cba) | |
7MFH
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![BU of 7mfh by Molmil](/molmil-images/mine/7mfh) | Crystal structure of BIO-32546 bound mouse Autotaxin | Descriptor: | (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, ... | Authors: | Chodaparambil, J.V. | Deposit date: | 2021-04-09 | Release date: | 2022-04-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of Potent Selective Nonzinc Binding Autotaxin Inhibitor BIO-32546. Acs Med.Chem.Lett., 12, 2021
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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 | Descriptor: | CALCIUM ION, GLYCEROL, IODIDE ION, ... | Authors: | Salgado-Polo, F, Clark, J.M, Macdonald, S.J.F, Barrett, T.N, Perrakis, A, Jamieson, A. | Deposit date: | 2022-02-23 | Release date: | 2022-05-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-Based Design of a Novel Class of Autotaxin Inhibitors Based on Endogenous Allosteric Modulators. J.Med.Chem., 65, 2022
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6LEH
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![BU of 6leh by Molmil](/molmil-images/mine/6leh) | Crystal structure of Autotaxin in complex with an inhibitor | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Nishimasu, H, Osamu, N. | Deposit date: | 2019-11-25 | Release date: | 2020-03-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification of PotentIn VivoAutotaxin Inhibitors that Bind to Both Hydrophobic Pockets and Channels in the Catalytic Domain. J.Med.Chem., 63, 2020
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5HRT
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![BU of 5hrt by Molmil](/molmil-images/mine/5hrt) | Crystal structure of mouse autotaxin in complex with a DNA aptamer | Descriptor: | CALCIUM ION, CHLORIDE ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ... | Authors: | Kato, K, Nishimasu, H, Morita, J, Ishitani, R, Nureki, O. | Deposit date: | 2016-01-24 | Release date: | 2016-04-06 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.997 Å) | Cite: | Structural basis for specific inhibition of Autotaxin by a DNA aptamer Nat.Struct.Mol.Biol., 23, 2016
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7Z3K
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![BU of 7z3k by Molmil](/molmil-images/mine/7z3k) | Autotaxin in complex with orthosteric site-binder CpdA | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7alpha-hydroxycholesterol, CALCIUM ION, ... | Authors: | Salgado-Polo, F, Ford, P, Heckmann, B, Perrakis, A. | Deposit date: | 2022-03-02 | Release date: | 2023-01-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Autotaxin facilitates selective LPA receptor signaling. Cell Chem Biol, 30, 2023
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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) | Descriptor: | 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, ... | Authors: | Salgado-Polo, F, Ford, P, Heckmann, B, Perrakis, A. | Deposit date: | 2022-03-02 | Release date: | 2023-01-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Autotaxin facilitates selective LPA receptor signaling. Cell Chem Biol, 30, 2023
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6XKD
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![BU of 6xkd by Molmil](/molmil-images/mine/6xkd) | Structure of ligand-bound mouse cGAMP hydrolase ENPP1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... | Authors: | Fernandez, D, Li, L. | Deposit date: | 2020-06-26 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | 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
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![BU of 6y5m by Molmil](/molmil-images/mine/6y5m) | Crystal structure of mouse Autotaxin in complex with compound 1a | Descriptor: | (~{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, ... | Authors: | Faller, M, Zink, F. | Deposit date: | 2020-02-25 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.011 Å) | Cite: | Development of autotaxin inhibitors: A series of tetrazole cinnamides. Bioorg.Med.Chem.Lett., 31, 2021
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5IJQ
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![BU of 5ijq by Molmil](/molmil-images/mine/5ijq) | Crystal structure of autotaxin (ENPP2) re-refined | Descriptor: | 7alpha-hydroxycholesterol, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ... | Authors: | Hausmann, J, Joosten, R.P, Perrakis, A. | Deposit date: | 2016-03-02 | Release date: | 2016-06-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural snapshots of the catalytic cycle of the phosphodiesterase Autotaxin. J.Struct.Biol., 195, 2016
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5GZ4
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![BU of 5gz4 by Molmil](/molmil-images/mine/5gz4) | |
5GZ5
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![BU of 5gz5 by Molmil](/molmil-images/mine/5gz5) | |
5OLB
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![BU of 5olb by Molmil](/molmil-images/mine/5olb) | crystal structure of autotaxin in complex with PF-8380 | Descriptor: | (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, ... | Authors: | Hoerer, S, Lammens, A. | Deposit date: | 2017-07-27 | Release date: | 2018-01-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Discovery of BI-2545: A Novel Autotaxin Inhibitor That Significantly Reduces LPA Levels in Vivo. ACS Med Chem Lett, 8, 2017
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6C02
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![BU of 6c02 by Molmil](/molmil-images/mine/6c02) | Human ectonucleotide pyrophosphatase / phosphodiesterase 3 (ENPP3, NPP3, CD203c), inactive (T205A), N594S, with alpha,beta-methylene-ATP (AMPCPP) | Descriptor: | 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, ... | Authors: | Gorelik, A, Randriamihaja, A, Illes, K, Nagar, B. | Deposit date: | 2017-12-27 | Release date: | 2018-05-02 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.942 Å) | Cite: | Structural basis for nucleotide recognition by the ectoenzyme CD203c. FEBS J., 285, 2018
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5OHI
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![BU of 5ohi by Molmil](/molmil-images/mine/5ohi) | Crystal structure of autotaxin in complex with BI-2545 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3,6,9,12,15-PENTAOXAHEPTADECANE, CALCIUM ION, ... | Authors: | Hoerer, S. | Deposit date: | 2017-07-17 | Release date: | 2018-01-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Discovery of BI-2545: A Novel Autotaxin Inhibitor That Significantly Reduces LPA Levels in Vivo. ACS Med Chem Lett, 8, 2017
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6C01
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![BU of 6c01 by Molmil](/molmil-images/mine/6c01) | Human ectonucleotide pyrophosphatase / phosphodiesterase 3 (ENPP3, NPP3, CD203c) | Descriptor: | 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, ... | Authors: | Gorelik, A, Randriamihaja, A, Illes, K, Nagar, B. | Deposit date: | 2017-12-27 | Release date: | 2018-05-02 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for nucleotide recognition by the ectoenzyme CD203c. FEBS J., 285, 2018
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5S9L
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![BU of 5s9l by Molmil](/molmil-images/mine/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% | Descriptor: | (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, ... | Authors: | Stihle, M, Hunziker, D, Benz, J, Mattei, P, Rudolph, M.G. | Deposit date: | 2021-03-31 | Release date: | 2022-04-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of a rat Autotaxin complex To be published
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5S9M
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![BU of 5s9m by Molmil](/molmil-images/mine/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% | Descriptor: | (3,5-dichlorophenyl)methyl (3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepine-6(1H)-carboxylate, ACETATE ION, CALCIUM ION, ... | Authors: | Stihle, M, Hunziker, D, Benz, J, Mattei, P, Rudolph, M.G. | Deposit date: | 2021-03-31 | Release date: | 2022-04-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of a rat Autotaxin complex To be published
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5S9N
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![BU of 5s9n by Molmil](/molmil-images/mine/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% | Descriptor: | CALCIUM ION, CHLORIDE ION, Isoform 2 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ... | Authors: | Stihle, M, Hunziker, D, Benz, J, Mattei, P, Rudolph, M.G. | Deposit date: | 2021-03-31 | Release date: | 2022-04-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of a rat Autotaxin complex To be published
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2XRG
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![BU of 2xrg by Molmil](/molmil-images/mine/2xrg) | Crystal structure of Autotaxin (ENPP2) in complex with the HA155 boronic acid inhibitor | Descriptor: | CALCIUM ION, ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE FAMILY MEMBER 2, IODIDE ION, ... | Authors: | Hausmann, J, Albers, H.M.H.G, Perrakis, A. | Deposit date: | 2010-09-14 | Release date: | 2011-01-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural Basis of Substrate Discrimination and Integrin Binding by Autotaxin. Nat.Struct.Mol.Biol., 18, 2011
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