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PDB: 26 results

5DLT
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BU of 5dlt by Molmil
Crystal structure of Autotaxin (ENPP2) with 7-alpha-hydroxycholesterol
Descriptor: 7alpha-hydroxycholesterol, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ...
Authors:Hausmann, J, Joosten, R.P, Perrakis, A.
Deposit date:2015-09-07
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Steroid binding to Autotaxin links bile salts and lysophosphatidic acid signalling.
Nat Commun, 7, 2016
7P4O
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BU of 7p4o by Molmil
Crystal structure of Autotaxin and 9(R)-delta6a,10a-THC
Descriptor: (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, ...
Authors:Eymery, M.C, McCarthy, A.A, Hausmann, J.
Deposit date:2021-07-12
Release date:2022-12-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Linking medicinal cannabis to autotaxin-lysophosphatidic acid signaling.
Life Sci Alliance, 6, 2023
7P4J
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BU of 7p4j by Molmil
Crystal structure of Autotaxin and tetrahydrocannabinol
Descriptor: (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, ...
Authors:Eymery, M.C, McCarthy, A.A, Hausmann, J.
Deposit date:2021-07-11
Release date:2022-12-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Linking medicinal cannabis to autotaxin-lysophosphatidic acid signaling.
Life Sci Alliance, 6, 2023
5S9M
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BU of 5s9m by Molmil
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
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%
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
5DLW
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BU of 5dlw by Molmil
Crystal structure of Autotaxin (ENPP2) with tauroursodeoxycholic acid (TUDCA) and lysophosphatidic acid (LPA)
Descriptor: (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, 2-{[(3alpha,5beta,7alpha,8alpha,14beta,17alpha)-3,7-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid, CALCIUM ION, ...
Authors:Keune, W.J, Heidebrecht, T, Joosten, R.P, Perrakis, A.
Deposit date:2015-09-07
Release date:2016-04-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Steroid binding to Autotaxin links bile salts and lysophosphatidic acid signalling.
Nat Commun, 7, 2016
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%
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
5M0E
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BU of 5m0e by Molmil
Structure-based evolution of a hybrid steroid series of Autotaxin inhibitors
Descriptor: 7alpha-hydroxycholesterol, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ...
Authors:Keune, W.-J, Heidebrecht, T, Perrakis, A.
Deposit date:2016-10-04
Release date:2017-08-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Rational Design of Autotaxin Inhibitors by Structural Evolution of Endogenous Modulators.
J. Med. Chem., 60, 2017
8C4W
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BU of 8c4w by Molmil
Crystal structure of rat autotaxin and compound MEY-002
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5,7-bis(oxidanyl)-2-[1-(phenylmethyl)indol-3-yl]chromen-4-one, 7alpha-hydroxycholesterol, ...
Authors:Eymery, M.C, McCarthy, A.A.
Deposit date:2023-01-05
Release date:2023-11-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of potent chromone-based autotaxin inhibitors inspired by cannabinoids.
Eur.J.Med.Chem., 263, 2023
7Z3K
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BU of 7z3k by Molmil
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
5DLV
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BU of 5dlv by Molmil
Crystal structure of Autotaxin (ENPP2) with tauroursodeoxycholic acid (TUDCA)
Descriptor: 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, ...
Authors:Keune, W.J, Heidebrecht, T, von Castelmur, E, Joosten, R.P, Perrakis, A.
Deposit date:2015-09-07
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Steroid binding to Autotaxin links bile salts and lysophosphatidic acid signalling.
Nat Commun, 7, 2016
5IJQ
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BU of 5ijq by Molmil
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
2XR9
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BU of 2xr9 by Molmil
Crystal structure of Autotaxin (ENPP2)
Descriptor: CALCIUM ION, ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE FAMILY MEMBER 2, IODIDE ION, ...
Authors:Kamtekar, S, Hausmann, J, Day, J.E, Christodoulou, E, Perrakis, A.
Deposit date:2010-09-13
Release date:2011-01-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural basis of substrate discrimination and integrin binding by autotaxin.
Nat. Struct. Mol. Biol., 18, 2011
5M0M
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BU of 5m0m by Molmil
Structure-based evolution of a hybrid steroid series of Autotaxin inhibitors
Descriptor: (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ...
Authors:Keune, W.-J, Heidebrecht, T, Perrakis, A.
Deposit date:2016-10-05
Release date:2017-08-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Rational Design of Autotaxin Inhibitors by Structural Evolution of Endogenous Modulators.
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
Descriptor: CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, GLYCEROL, ...
Authors:Keune, W.-J, Heidebrecht, T, Perrakis, A.
Deposit date:2016-10-05
Release date:2017-08-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Rational Design of Autotaxin Inhibitors by Structural Evolution of Endogenous Modulators.
J. Med. Chem., 60, 2017
7P0K
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BU of 7p0k by Molmil
Crystal structure of Autotaxin (ENPP2) with 18F-labeled positron emission tomography ligand
Descriptor: 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, ...
Authors:Salgado-Polo, F, Shao, T, Xiao, Z, Van, R, Chen, J, Rong, J, Haider, A, Shao, Y, Josephson, L, Perrakis, A, Liang, S.H.
Deposit date:2021-06-29
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Imaging Autotaxin In Vivo with 18 F-Labeled Positron Emission Tomography Ligands
J Med Chem, 64, 2021
5IJS
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BU of 5ijs by Molmil
Crystal structure of autotaxin with orthovanadate bound as a trigonal bipyramidal intermediate analog
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7alpha-hydroxycholesterol, CALCIUM ION, ...
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 (2.2 Å)
Cite:Structural snapshots of the catalytic cycle of the phosphodiesterase Autotaxin.
J.Struct.Biol., 195, 2016
7Z0N
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BU of 7z0n by Molmil
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
7Z3L
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BU of 7z3l by Molmil
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
5LQQ
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BU of 5lqq by Molmil
Structure of Autotaxin (ENPP2) with LM350
Descriptor: 3-(6-chloranyl-2-methyl-1-phenyl-indol-3-yl)sulfanylbenzoic acid, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ...
Authors:Keune, W.J, Heidebrecht, T, Castelmur, E, Joosten, R.P, Perrakis, A.
Deposit date:2016-08-17
Release date:2016-12-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-Activity Relationships of Small Molecule Autotaxin Inhibitors with a Discrete Binding Mode.
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
Descriptor: CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2,Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, GLYCEROL, ...
Authors:Keune, W.-J, Heidebrecht, T, Perrakis, A.
Deposit date:2016-10-04
Release date:2017-08-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Rational Design of Autotaxin Inhibitors by Structural Evolution of Endogenous Modulators.
J. Med. Chem., 60, 2017
5L0B
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BU of 5l0b by Molmil
Crystal Structure of Autotaxin and Compound 1
Descriptor: 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, ...
Authors:Durbin, J.D.
Deposit date:2016-07-27
Release date:2016-08-10
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Novel Autotaxin Inhibitors for the Treatment of Osteoarthritis Pain: Lead Optimization via Structure-Based Drug Design.
Acs Med.Chem.Lett., 7, 2016
8C7R
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BU of 8c7r by Molmil
Crystal structure of rat autotaxin and compound MEY-003
Descriptor: 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, ...
Authors:Eymery, M.C, McCarthy, A.A.
Deposit date:2023-01-17
Release date:2023-11-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Discovery of potent chromone-based autotaxin inhibitors inspired by cannabinoids.
Eur.J.Med.Chem., 263, 2023
5L0K
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BU of 5l0k by Molmil
Crystal Structure of Autotaxin and Compound 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, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Durbin, J.D.
Deposit date:2016-07-27
Release date:2016-08-10
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Novel Autotaxin Inhibitors for the Treatment of Osteoarthritis Pain: Lead Optimization via Structure-Based Drug Design.
Acs Med.Chem.Lett., 7, 2016
5L0E
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BU of 5l0e by Molmil
Crystal Structure of Autotaxin and Compound 1
Descriptor: 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, ...
Authors:Durbin, J.D.
Deposit date:2016-07-27
Release date:2016-08-10
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.06 Å)
Cite: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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