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4B56
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Structure of ectonucleotide pyrophosphatase-phosphodiesterase-1 (NPP1)
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Jansen, S, Perrakis, A, Ulens, C, Winkler, C, Andries, M, Joosten, R.P, Van Acker, M, Luyten, F.P, Moolenaar, W.H, Bollen, M.
登録日2012-08-02
公開日2012-09-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of Npp1, an Ectonucleotide Pyrophosphatase/Phosphodiesterase Involved in Tissue Calcification.
Structure, 20, 2012
4GTW
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Crystal structure of mouse Enpp1 in complex with AMP
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, ADENOSINE MONOPHOSPHATE, ...
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2020-07-29
実験手法X-RAY DIFFRACTION (2.7 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
4GTZ
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Crystal structure of mouse Enpp1 in complex with CMP
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 (3.191 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
4GTY
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Crystal structure of mouse Enpp1 in complex with GMP
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 (3.19 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
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
3NKM
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BU of 3nkm by Molmil
Crystal structure of mouse autotaxin
分子名称: (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, ...
著者Nishimasu, H, Ishitani, R, Mihara, E, Takagi, J, Aoki, J, Nureki, O.
登録日2010-06-20
公開日2011-01-19
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.002 Å)
主引用文献Crystal structure of autotaxin and insight into GPCR activation by lipid mediators
Nat.Struct.Mol.Biol., 18, 2011
3NKN
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Crystal structure of mouse autotaxin in complex with 14:0-LPA
分子名称: (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, ...
著者Nishimasu, H, Ishitani, R, Mihara, E, Takagi, J, Aoki, J, Nureki, O.
登録日2010-06-20
公開日2011-01-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of autotaxin and insight into GPCR activation by lipid mediators
Nat.Struct.Mol.Biol., 18, 2011
5IJS
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Crystal structure of autotaxin with orthovanadate bound as a trigonal bipyramidal intermediate analog
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7alpha-hydroxycholesterol, CALCIUM ION, ...
著者Hausmann, J, Joosten, R.P, Perrakis, A.
登録日2016-03-02
公開日2016-06-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural snapshots of the catalytic cycle of the phosphodiesterase Autotaxin.
J.Struct.Biol., 195, 2016
3NKQ
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Crystal structure of mouse autotaxin in complex with 18:3-LPA
分子名称: (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, ...
著者Nishimasu, H, Ishitani, R, Mihara, E, Takagi, J, Aoki, J, Nureki, O.
登録日2010-06-20
公開日2011-01-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of autotaxin and insight into GPCR activation by lipid mediators
Nat.Struct.Mol.Biol., 18, 2011
3NKO
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Crystal structure of mouse autotaxin in complex with 16:0-LPA
分子名称: (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, ...
著者Nishimasu, H, Ishitani, R, Mihara, E, Takagi, J, Aoki, J, Nureki, O.
登録日2010-06-20
公開日2011-01-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of autotaxin and insight into GPCR activation by lipid mediators
Nat.Struct.Mol.Biol., 18, 2011
3NKP
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Crystal structure of mouse autotaxin in complex with 18:1-LPA
分子名称: (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, ...
著者Nishimasu, H, Ishitani, R, Mihara, E, Takagi, J, Aoki, J, Nureki, O.
登録日2010-06-20
公開日2011-01-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.751 Å)
主引用文献Crystal structure of autotaxin and insight into GPCR activation by lipid mediators
Nat.Struct.Mol.Biol., 18, 2011
3NKR
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BU of 3nkr by Molmil
Crystal structure of mouse autotaxin in complex with 22:6-LPA
分子名称: (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, ...
著者Nishimasu, H, Ishitani, R, Mihara, E, Takagi, J, Aoki, J, Nureki, O.
登録日2010-06-20
公開日2011-01-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.704 Å)
主引用文献Crystal structure of autotaxin and insight into GPCR activation by lipid mediators
Nat.Struct.Mol.Biol., 18, 2011
6XKD
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BU of 6xkd by Molmil
Structure of ligand-bound mouse cGAMP hydrolase ENPP1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
著者Fernandez, D, Li, L.
登録日2020-06-26
公開日2021-06-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structure-Aided Development of Small-Molecule Inhibitors of ENPP1, the Extracellular Phosphodiesterase of the Immunotransmitter cGAMP.
Cell Chem Biol, 27, 2020
6Y5M
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Crystal structure of mouse Autotaxin in complex with compound 1a
分子名称: (~{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, ...
著者Faller, M, Zink, F.
登録日2020-02-25
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.011 Å)
主引用文献Development of autotaxin inhibitors: A series of tetrazole cinnamides.
Bioorg.Med.Chem.Lett., 31, 2021
6WEU
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Crystal structures of human E-NPP 1: bound to adenosine-5'-thio-monophosphate
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Peat, T.S, Dennis, M, Newman, J.
登録日2020-04-03
公開日2020-09-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Crystal structures of human ENPP1 in apo and bound forms.
Acta Crystallogr D Struct Biol, 76, 2020
6WFJ
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Crystal structures of human E-NPP 1: apo
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Peat, T.S, Dennis, M, Newman, J.
登録日2020-04-03
公開日2020-09-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structures of human ENPP1 in apo and bound forms.
Acta Crystallogr D Struct Biol, 76, 2020
5L0K
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Crystal Structure of Autotaxin and Compound PF-8380
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Durbin, J.D.
登録日2016-07-27
公開日2016-08-10
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Novel Autotaxin Inhibitors for the Treatment of Osteoarthritis Pain: Lead Optimization via Structure-Based Drug Design.
Acs Med.Chem.Lett., 7, 2016
5INH
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Crystal structure of Autotaxin/ENPP2 with a covalent fragment
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, ACETATE ION, ...
著者Klein, M.G, Tjhen, R.
登録日2016-03-07
公開日2017-03-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Repurposing Suzuki Coupling Reagents as a Directed Fragment Library Targeting Serine Hydrolases and Related Enzymes.
J. Med. Chem., 60, 2017
6WEV
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Crystal structures of human E-NPP 1: bound to N-{[1-(6,7-dimethoxy-5,8-dihydroquinazolin-4-yl)piperidin-4-yl]methyl}sulfuric diamide
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Peat, T.S, Dennis, M, Newman, J.
登録日2020-04-03
公開日2020-09-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structures of human ENPP1 in apo and bound forms.
Acta Crystallogr D Struct Biol, 76, 2020
6WET
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Crystal structures of human E-NPP 1: apo
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Peat, T.S, Dennis, M, Newman, J.
登録日2020-04-02
公開日2020-09-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structures of human ENPP1 in apo and bound forms.
Acta Crystallogr D Struct Biol, 76, 2020
5L0B
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Crystal Structure of Autotaxin and Compound 1
分子名称: 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, ...
著者Durbin, J.D.
登録日2016-07-27
公開日2016-08-10
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Novel Autotaxin Inhibitors for the Treatment of Osteoarthritis Pain: Lead Optimization via Structure-Based Drug Design.
Acs Med.Chem.Lett., 7, 2016
5KXA
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Selective Inhibition of Autotaxin is Effective in Mouse Models of Liver Fibrosis
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[6-chloranyl-2-cyclopropyl-1-(1-ethylpyrazol-4-yl)-7-fluoranyl-indol-3-yl]sulfanyl-2-fluoranyl-benzoic acid, CALCIUM ION, ...
著者Stein, A.J, Bain, G, Hutchinson, J.H, Evans, J.F.
登録日2016-07-20
公開日2016-11-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Selective Inhibition of Autotaxin Is Efficacious in Mouse Models of Liver Fibrosis.
J. Pharmacol. Exp. Ther., 360, 2017
5L0E
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BU of 5l0e by Molmil
Crystal Structure of Autotaxin and Compound 1
分子名称: 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, ...
著者Durbin, J.D.
登録日2016-07-27
公開日2016-08-10
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.06 Å)
主引用文献Novel Autotaxin Inhibitors for the Treatment of Osteoarthritis Pain: Lead Optimization via Structure-Based Drug Design.
Acs Med.Chem.Lett., 7, 2016
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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件を2024-09-11に公開中

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