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2YS0
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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
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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
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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
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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
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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
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BU of 6g4g by Molmil
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
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Crystal structure of snake venom phosphodiesterase (PDE) from Taiwan cobra (Naja atra atra) in complex with isorhamnetin and citrate
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CITRIC ACID, ...
著者Lin, I.J, Lin, C.C, Wu, W.G.
登録日2020-06-11
公開日2021-07-21
実験手法X-RAY DIFFRACTION (2.901 Å)
主引用文献Crystal structure of snake venom phosphodiesterase (PDE) from Taiwan cobra (Naja atra atra) in complex with isorhamnetin and citrate
To Be Published
6LEH
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Crystal structure of Autotaxin in complex with an inhibitor
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
著者Nishimasu, H, Osamu, N.
登録日2019-11-25
公開日2020-03-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification of PotentIn VivoAutotaxin Inhibitors that Bind to Both Hydrophobic Pockets and Channels in the Catalytic Domain.
J.Med.Chem., 63, 2020
7MFH
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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
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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
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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
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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
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BU of 2xrg by Molmil
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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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

 

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