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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
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
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
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
5FGU
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BU of 5fgu by Molmil
Structure of Sda1 nuclease apoprotein as an EGFP fixed-arm fusion
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Green fluorescent protein,Extracellular streptodornase D, ...
Authors:Moon, A.F, Krahn, J.M, Xun, L, Cuneo, M.J, Pedersen, L.C.
Deposit date:2015-12-21
Release date:2016-03-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.896 Å)
Cite:Structural characterization of the virulence factor Sda1 nuclease from Streptococcus pyogenes.
Nucleic Acids Res., 44, 2016
8C3P
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BU of 8c3p by Molmil
Crystal structure of autotaxin gamma in complex with LPA 18:1
Descriptor: (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, 7alpha-hydroxycholesterol, CALCIUM ION, ...
Authors:Eymery, M.C, McCarthy, A.A.
Deposit date:2022-12-28
Release date:2023-11-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Discovery of potent chromone-based autotaxin inhibitors inspired by cannabinoids.
Eur.J.Med.Chem., 263, 2023
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
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
6W35
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BU of 6w35 by Molmil
A new Autotaxin Inhibitor for the Treatment of Idiopathic Pulmonary Fibrosis: A Clinical Candidate Discovered Using DNA-Encoded Chemistry
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-fluoranyl-~{N}-[(2~{R})-1-[1-(2~{H}-indazol-5-yl)-3-methyl-2,4-bis(oxidanylidene)-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-5-(trifluoromethyl)benzamide, CALCIUM ION, ...
Authors:Cuozzo, J.W.
Deposit date:2020-03-09
Release date:2020-07-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Novel Autotaxin Inhibitor for the Treatment of Idiopathic Pulmonary Fibrosis: A Clinical Candidate Discovered Using DNA-Encoded Chemistry.
J.Med.Chem., 63, 2020
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
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
5OLB
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BU of 5olb by Molmil
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
6WEW
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BU of 6wew by Molmil
Crystal structures of human E-NPP 1: bound to N-{4-[(7-methoxyquinolin-4-yl)oxy]phenyl}sulfuric diamide
Descriptor: 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, ...
Authors:Peat, T.S, Dennis, M, Newman, J.
Deposit date:2020-04-03
Release date:2020-09-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Crystal structures of human ENPP1 in apo and bound forms.
Acta Crystallogr D Struct Biol, 76, 2020
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
3WAW
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BU of 3waw by Molmil
Crystal Structure of Autotaxin in Complex with 2BoA
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 (1.954 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
9EU5
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BU of 9eu5 by Molmil
SSX structure of Autotaxin at room temperature
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7alpha-hydroxycholesterol, CALCIUM ION, ...
Authors:Eymery, M.C, McCarthy, A.A, Foos, N, Basu, S.
Deposit date:2024-03-27
Release date:2024-07-31
Last modified:2024-09-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:In situ serial crystallography facilitates 96-well plate structural analysis at low symmetry.
Iucrj, 11, 2024
9ENT
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BU of 9ent by Molmil
SSX structure of Autotaxin in cryogenic conditions
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7alpha-hydroxycholesterol, CALCIUM ION, ...
Authors:Eymery, M.C, McCarthy, A.A, Foos, N, Basu, S.
Deposit date:2024-03-13
Release date:2024-07-31
Last modified:2024-09-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:In situ serial crystallography facilitates 96-well plate structural analysis at low symmetry.
Iucrj, 11, 2024
5LIA
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BU of 5lia by Molmil
Crystal structure of murine autotaxin in complex with a small molecule inhibitor
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Turnbull, A.P, Shah, P, Cheasty, A, Raynham, T, Pang, L, Owen, P.
Deposit date:2016-07-14
Release date:2016-11-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Discovery of potent inhibitors of the lysophospholipase autotaxin.
Bioorg. Med. Chem. Lett., 26, 2016
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
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

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