4E3Y
 
 | | X-ray structure of the Serratia marcescens endonuclease at 0.95 A resolution | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Lashkov, A.A, Balaev, V.V, Gabdoulkhakov, A.G, Betzel, C, Mikhailov, A.M. | | Deposit date: | 2012-03-11 | | Release date: | 2013-05-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | X-ray structure of the Serratia marcescens endonuclease at 0.95 A resolution
To be Published
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1G8T
 | | SM ENDONUCLEASE FROM SERATIA MARCENSCENS AT 1.1 A RESOLUTION | | Descriptor: | MAGNESIUM ION, NUCLEASE SM2 ISOFORM, SULFATE ION | | Authors: | Lunin, V.V, Perbandt, M, Betzel, C.H, Mikhailov, A.M. | | Deposit date: | 2000-11-21 | | Release date: | 2000-12-06 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Atomic structure of the Serratia marcescens endonuclease at 1.1 A resolution and the enzyme reaction mechanism.
Acta Crystallogr.,Sect.D, 56, 2000
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1QL0
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5DLT
 | | 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
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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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7P4O
 | | 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
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3NKQ
 | | Crystal structure of mouse autotaxin in complex with 18:3-LPA | | Descriptor: | (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E,12Z,15Z)-octadeca-9,12,15-trienoate, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Nishimasu, H, Ishitani, R, Mihara, E, Takagi, J, Aoki, J, Nureki, O. | | Deposit date: | 2010-06-20 | | Release date: | 2011-01-19 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of autotaxin and insight into GPCR activation by lipid mediators
Nat.Struct.Mol.Biol., 18, 2011
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3NKR
 | | Crystal structure of mouse autotaxin in complex with 22:6-LPA | | Descriptor: | (2R)-2-hydroxy-3-(phosphonooxy)propyl (4Z,7E,10E,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Nishimasu, H, Ishitani, R, Mihara, E, Takagi, J, Aoki, J, Nureki, O. | | Deposit date: | 2010-06-20 | | Release date: | 2011-01-19 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.704 Å) | | Cite: | Crystal structure of autotaxin and insight into GPCR activation by lipid mediators
Nat.Struct.Mol.Biol., 18, 2011
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3WAY
 | | Crystal Structure of Autotaxin in Complex with 4BoA | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Nishimasu, H, Ishitani, R, Nureki, O. | | Deposit date: | 2013-05-09 | | Release date: | 2013-07-31 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.746 Å) | | Cite: | Screening and X-ray Crystal Structure-based Optimization of Autotaxin (ENPP2) Inhibitors, Using a Newly Developed Fluorescence Probe
Acs Chem.Biol., 8, 2013
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3NKO
 | | Crystal structure of mouse autotaxin in complex with 16:0-LPA | | Descriptor: | (2R)-2-hydroxy-3-(phosphonooxy)propyl hexadecanoate, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Nishimasu, H, Ishitani, R, Mihara, E, Takagi, J, Aoki, J, Nureki, O. | | Deposit date: | 2010-06-20 | | Release date: | 2011-01-19 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure of autotaxin and insight into GPCR activation by lipid mediators
Nat.Struct.Mol.Biol., 18, 2011
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3OWV
 | | Structural insights into catalytic and substrate binding mechanisms of the strategic EndA nuclease from Streptococcus pneumoniae | | Descriptor: | CHLORIDE ION, DNA-entry nuclease, MAGNESIUM ION | | Authors: | Moon, A.F, Midon, M, Meiss, G, Pingoud, A.M, London, R.E, Pedersen, L.C. | | Deposit date: | 2010-09-20 | | Release date: | 2010-12-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural insights into catalytic and substrate binding mechanisms of the strategic EndA nuclease from Streptococcus pneumoniae.
Nucleic Acids Res., 39, 2011
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4ZG7
 | | Structural basis for inhibition of human autotaxin by four novel compounds | | Descriptor: | (2R)-2-hydroxy-3-(phosphonooxy)propyl tetradecanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-({6-chloro-7-fluoro-2-methyl-1-[2-oxo-2-(spiro[cyclopropane-1,3'-indol]-1'(2'H)-yl)ethyl]-1H-indol-3-yl}sulfanyl)-2-fluorobenzoic acid, ... | | Authors: | Stein, A.J, Bain, G, Hutchinson, J.H, Evans, J.F. | | Deposit date: | 2015-04-22 | | Release date: | 2015-10-14 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural Basis for Inhibition of Human Autotaxin by Four Potent Compounds with Distinct Modes of Binding.
Mol.Pharmacol., 88, 2015
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3NKP
 | | Crystal structure of mouse autotaxin in complex with 18:1-LPA | | Descriptor: | (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Nishimasu, H, Ishitani, R, Mihara, E, Takagi, J, Aoki, J, Nureki, O. | | Deposit date: | 2010-06-20 | | Release date: | 2011-01-19 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.751 Å) | | Cite: | Crystal structure of autotaxin and insight into GPCR activation by lipid mediators
Nat.Struct.Mol.Biol., 18, 2011
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7P4J
 | | 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
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3S5B
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3WAV
 | | Crystal Structure of Autotaxin in Complex with Compound 10 | | Descriptor: | (5Z)-5-(3,4-dichlorobenzylidene)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4(5H)-one, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Nishimasu, H, Ishitani, R, Nureki, O. | | Deposit date: | 2013-05-09 | | Release date: | 2013-07-31 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.797 Å) | | Cite: | Screening and X-ray Crystal Structure-based Optimization of Autotaxin (ENPP2) Inhibitors, Using a Newly Developed Fluorescence Probe
Acs Chem.Biol., 8, 2013
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3NKN
 | | Crystal structure of mouse autotaxin in complex with 14:0-LPA | | Descriptor: | (2R)-2-hydroxy-3-(phosphonooxy)propyl tetradecanoate, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Nishimasu, H, Ishitani, R, Mihara, E, Takagi, J, Aoki, J, Nureki, O. | | Deposit date: | 2010-06-20 | | Release date: | 2011-01-19 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of autotaxin and insight into GPCR activation by lipid mediators
Nat.Struct.Mol.Biol., 18, 2011
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5DLW
 | | 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
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6AEK
 | | Crystal structure of ENPP1 in complex with pApG | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-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: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural insights into cGAMP degradation by Ecto-nucleotide pyrophosphatase phosphodiesterase 1.
Nat Commun, 9, 2018
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4ZG6
 | | Structural basis for inhibition of human autotaxin by four novel compounds | | Descriptor: | 4-{(Z)-2-[6-chloro-1-(4-fluorobenzyl)-1H-indol-3-yl]-1-cyanoethenyl}benzoic acid, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ... | | Authors: | Stein, A.J, Bain, G, Hutchinson, J.H, Evans, J.F. | | Deposit date: | 2015-04-22 | | Release date: | 2015-10-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Basis for Inhibition of Human Autotaxin by Four Potent Compounds with Distinct Modes of Binding.
Mol.Pharmacol., 88, 2015
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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
 | | 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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5T40
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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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5INH
 | | Crystal structure of Autotaxin/ENPP2 with a covalent fragment | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | | Authors: | Klein, M.G, Tjhen, R. | | Deposit date: | 2016-03-07 | | Release date: | 2017-03-15 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Repurposing Suzuki Coupling Reagents as a Directed Fragment Library Targeting Serine Hydrolases and Related Enzymes.
J. Med. Chem., 60, 2017
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