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9FXN
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BU of 9fxn by Molmil
Human mitochondrial nuclease EXOG (hEXOG)
Descriptor: MAGNESIUM ION, Nuclease EXOG, mitochondrial
Authors:Karasinska, J.M, Szymanski, M.R.
Deposit date:2024-07-02
Release date:2024-07-31
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Human mitochondrial nuclease EXOG (hEXOG)
Nat Commun, 8, 2017
6AEL
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BU of 6ael by Molmil
Crystal structure of ENPP1 in complex with 3'3'-cGAMP
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, ...
Authors:Kato, K, Nishimasu, H, Hirano, S, Hirano, H, Ishitani, R, Nureki, O.
Deposit date:2018-08-05
Release date:2019-03-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural insights into cGAMP degradation by Ecto-nucleotide pyrophosphatase phosphodiesterase 1.
Nat Commun, 9, 2018
5ZKJ
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BU of 5zkj by Molmil
Human EXOG-H140A in complex with RNA/DNA hybrid duplex
Descriptor: CHLORIDE ION, DNA (5'-D(*CP*GP*TP*GP*AP*CP*AP*TP*CP*CP*CP*G)-3'), MAGNESIUM ION, ...
Authors:Wu, C.C, Lin, J.L.J, Yuan, H.S.
Deposit date:2018-03-24
Release date:2019-04-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.798 Å)
Cite:A unique exonuclease ExoG cleaves between RNA and DNA in mitochondrial DNA replication.
Nucleic Acids Res., 47, 2019
5ZKI
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BU of 5zki by Molmil
Human EXOG-H140A in complex with duplex DNA
Descriptor: CHLORIDE ION, DNA (5'-D(*CP*GP*GP*GP*AP*TP*AP*TP*CP*CP*CP*G)-3'), MAGNESIUM ION, ...
Authors:Wu, C.C, Lin, J.L.J, Yuan, H.S.
Deposit date:2018-03-24
Release date:2019-04-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.321 Å)
Cite:A unique exonuclease ExoG cleaves between RNA and DNA in mitochondrial DNA replication.
Nucleic Acids Res., 47, 2019
6AEK
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BU of 6aek by Molmil
Crystal structure of ENPP1 in complex with pApG
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE MONOPHOSPHATE, ...
Authors:Kato, K, Nishimasu, H, Hirano, S, Hirano, H, Ishitani, R, Nureki, O.
Deposit date:2018-08-05
Release date:2019-03-06
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into cGAMP degradation by Ecto-nucleotide pyrophosphatase phosphodiesterase 1.
Nat Commun, 9, 2018
4A1N
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BU of 4a1n by Molmil
Human Mitochondrial endo-exonuclease
Descriptor: CHLORIDE ION, MAGNESIUM ION, NUCLEASE EXOG, ...
Authors:Welin, M, Moche, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kotenyova, T, Nyman, T, Persson, C, Schuler, H, Thorsell, A.G, Tresaugues, L, Weigelt, J, Nordlund, P.
Deposit date:2011-09-16
Release date:2012-02-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Human Mitochondrial Endo-Exonuclease
To be Published
5T4I
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BU of 5t4i by Molmil
A Novel domain in human EXOG converts apoptotic endonuclease to DNA-repair enzyme
Descriptor: DNA (5'-D(*GP*CP*AP*CP*GP*TP*CP*AP*G)-3'), DNA (5'-D(P*CP*TP*GP*AP*CP*GP*TP*GP*C)-3'), MANGANESE (II) ION, ...
Authors:Szymanski, M.R, Yin, W.Y.
Deposit date:2016-08-29
Release date:2017-05-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.389 Å)
Cite:A domain in human EXOG converts apoptotic endonuclease to DNA-repair exonuclease.
Nat Commun, 8, 2017
5T5C
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BU of 5t5c by Molmil
A Novel domain in human EXOG converts apoptotic endonuclease to DNA-repair enzyme
Descriptor: DNA (5'-D(P*CP*TP*GP*AP*CP*GP*TP*GP*C)-3'), DNA (5'-D(P*GP*CP*AP*CP*GP*TP*CP*AP*G)-3'), MAGNESIUM ION, ...
Authors:Szymanski, M.R, Yin, W.Y.
Deposit date:2016-08-30
Release date:2017-05-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.851 Å)
Cite:A domain in human EXOG converts apoptotic endonuclease to DNA-repair exonuclease.
Nat Commun, 8, 2017
5T3V
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BU of 5t3v by Molmil
A Novel domain in human EXOG converts apoptotic endonuclease to DNA-repair enzyme
Descriptor: MANGANESE (II) ION, Nuclease EXOG, mitochondrial, ...
Authors:Szymanski, M.R, Yin, W.Y.
Deposit date:2016-08-26
Release date:2017-05-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A domain in human EXOG converts apoptotic endonuclease to DNA-repair exonuclease.
Nat Commun, 8, 2017
5T40
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BU of 5t40 by Molmil
A Novel domain in human EXOG converts apoptotic endonuclease to DNA-repair enzyme
Descriptor: MAGNESIUM ION, Nuclease EXOG, mitochondrial, ...
Authors:Szymanski, M.R, Yin, W.Y.
Deposit date:2016-08-27
Release date:2017-05-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:A domain in human EXOG converts apoptotic endonuclease to DNA-repair exonuclease.
Nat Commun, 8, 2017
5M7M
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BU of 5m7m by Molmil
Novel Imidazo[1,2-a]pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity
Descriptor: CHLORIDE ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, IODIDE ION, ...
Authors:Wolhkoning, A, Fleury, D, Leonard, P, Triballeau, N, Mollat, P, Vercheval, L.
Deposit date:2016-10-28
Release date:2017-08-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery, Structure-Activity Relationship, and Binding Mode of an Imidazo[1,2-a]pyridine Series of Autotaxin Inhibitors.
J. Med. Chem., 60, 2017
7CBA
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BU of 7cba by Molmil
Crystal structure of snake venom phosphodiesterase (PDE) from Taiwan cobra (Naja atra atra) in complex with isorhamnetin and citrate
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CITRIC ACID, ...
Authors:Lin, I.J, Lin, C.C, Wu, W.G.
Deposit date:2020-06-11
Release date:2021-07-21
Method:X-RAY DIFFRACTION (2.901 Å)
Cite:Crystal structure of snake venom phosphodiesterase (PDE) from Taiwan cobra (Naja atra atra) in complex with isorhamnetin and citrate
To Be Published
4GTX
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BU of 4gtx by Molmil
Crystal structure of mouse Enpp1 in complex with TMP
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:Kato, K, Nishimasu, H, Ishitani, R, Nureki, O.
Deposit date:2012-08-29
Release date:2012-11-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.201 Å)
Cite:Crystal structure of Enpp1, an extracellular glycoprotein involved in bone mineralization and insulin signaling.
Proc.Natl.Acad.Sci.USA, 109, 2012
7MFH
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BU of 7mfh by Molmil
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
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
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
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
2XRG
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BU of 2xrg by Molmil
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
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
5MHP
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BU of 5mhp by Molmil
Novel Imidazo[1,2-a]pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity
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:Fleury, D, Mueller, I, Lamers, M, Triballeau, N, Mollat, P, Vercheval, L.
Deposit date:2016-11-25
Release date:2017-08-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.43 Å)
Cite: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
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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
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
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
5OHI
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BU of 5ohi by Molmil
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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