1CEL
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5DLW
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![BU of 5dlw by Molmil](/molmil-images/mine/5dlw) | Crystal structure of Autotaxin (ENPP2) with tauroursodeoxycholic acid (TUDCA) and lysophosphatidic acid (LPA) | 分子名称: | (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, ... | 著者 | Keune, W.J, Heidebrecht, T, Joosten, R.P, Perrakis, A. | 登録日 | 2015-09-07 | 公開日 | 2016-04-13 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Steroid binding to Autotaxin links bile salts and lysophosphatidic acid signalling. Nat Commun, 7, 2016
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6HVJ
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![BU of 6hvj by Molmil](/molmil-images/mine/6hvj) | Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 3 | 分子名称: | 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, 8-(3-methyl-1-benzofuran-5-yl)-~{N}-(4-methylsulfonylpyridin-3-yl)quinoxalin-6-amine, ... | 著者 | Banaszak, K, Pawlik, H, Bialas, A, Fabritius, C.H, Nowak, M. | 登録日 | 2018-10-11 | 公開日 | 2018-11-14 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | 主引用文献 | Discovery and Structure-Activity Relationships of N-Aryl 6-Aminoquinoxalines as Potent PFKFB3 Kinase Inhibitors. ChemMedChem, 14, 2019
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3WAX
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![BU of 3wax by Molmil](/molmil-images/mine/3wax) | Crystal Structure of Autotaxin in Complex with 3BoA | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | 著者 | Nishimasu, H, Ishitani, R, Nureki, O. | 登録日 | 2013-05-09 | 公開日 | 2013-07-31 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.899 Å) | 主引用文献 | 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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3WAY
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![BU of 3way by Molmil](/molmil-images/mine/3way) | Crystal Structure of Autotaxin in Complex with 4BoA | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | 著者 | Nishimasu, H, Ishitani, R, Nureki, O. | 登録日 | 2013-05-09 | 公開日 | 2013-07-31 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.746 Å) | 主引用文献 | 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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3WAV
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![BU of 3wav by Molmil](/molmil-images/mine/3wav) | Crystal Structure of Autotaxin in Complex with Compound 10 | 分子名称: | (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, ... | 著者 | Nishimasu, H, Ishitani, R, Nureki, O. | 登録日 | 2013-05-09 | 公開日 | 2013-07-31 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.797 Å) | 主引用文献 | 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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6CVB
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4UAF
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4TVE
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4TWI
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![BU of 4twi by Molmil](/molmil-images/mine/4twi) | The structure of Sir2Af1 bound to a succinylated histone peptide | 分子名称: | GLYCEROL, NAD-dependent protein deacylase 1, Succinylated H4 Peptide (aa8-20), ... | 著者 | Ringel, A.E, Roman, C, Wolberger, C. | 登録日 | 2014-06-30 | 公開日 | 2014-12-03 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Alternate deacylating specificities of the archaeal sirtuins Sir2Af1 and Sir2Af2. Protein Sci., 23, 2014
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4TXD
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4TY9
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![BU of 4ty9 by Molmil](/molmil-images/mine/4ty9) | An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline | 分子名称: | 5-(trifluoromethyl)pyridin-2-amine, Polyprotein | 著者 | Shui, W, Yang, C, Lin, J, Chen, X, Qin, S, Chen, S. | 登録日 | 2014-07-08 | 公開日 | 2015-05-06 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.78 Å) | 主引用文献 | A ligand-observed mass spectrometry approach integrated into the fragment based lead discovery pipeline Sci Rep, 5, 2015
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4TZF
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![BU of 4tzf by Molmil](/molmil-images/mine/4tzf) | Structure of metallo-beta lactamase | 分子名称: | NDM-8 metallo-beta-lactamase, ZINC ION | 著者 | Ferguson, J.A, Makena, A, Brem, J, McDonough, M.A, Schofield, C.J. | 登録日 | 2014-07-10 | 公開日 | 2015-07-29 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | 主引用文献 | structure of metallo-beta lactamase To Be Published
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4TZS
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4TUM
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4U02
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![BU of 4u02 by Molmil](/molmil-images/mine/4u02) | Crystal structure of apo-TTHA1159 | 分子名称: | Amino acid ABC transporter, ATP-binding protein, SULFATE ION | 著者 | Karthiga Devi, S, Chichili, V.P.R, Velmurugan, D, Sivaraman, J. | 登録日 | 2014-07-11 | 公開日 | 2015-05-13 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.399 Å) | 主引用文献 | Structural basis for the hydrolysis of ATP by a nucleotide binding subunit of an amino acid ABC transporter from Thermus thermophilus J.Struct.Biol., 190, 2015
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6OIL
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4TUY
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![BU of 4tuy by Molmil](/molmil-images/mine/4tuy) | Tubulin-Rhizoxin complex | 分子名称: | (1R,2R,3E,5R,7R,8S,10S,13E,16R)-8-hydroxy-10-[(2S,3R,4E,6E,8E)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-2,7-dimethyl-6,11,19-trioxatricyclo[14.3.1.0~5,7~]icosa-3,13-diene-12,18-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | 著者 | Prota, A.E, Bargsten, K, Diaz, J.F, Marsh, M, Cuevas, C, Liniger, M, Neuhaus, C, Andreu, J.M, Altmann, K.H, Steinmetz, M.O. | 登録日 | 2014-06-25 | 公開日 | 2014-08-27 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | A new tubulin-binding site and pharmacophore for microtubule-destabilizing anticancer drugs. Proc.Natl.Acad.Sci.USA, 111, 2014
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7NCB
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4TVT
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![BU of 4tvt by Molmil](/molmil-images/mine/4tvt) | New ligand for thaumatin discovered using acoustic high throughput screening | 分子名称: | ASCORBIC ACID, L(+)-TARTARIC ACID, SODIUM ION, ... | 著者 | Teplitsky, E, Joshi, K, Ericson, D.L, Scalia, A, Mullen, J.D, Sweet, R.M, Soares, A.S. | 登録日 | 2014-06-28 | 公開日 | 2014-07-16 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | High throughput screening using acoustic droplet ejection to combine protein crystals and chemical libraries on crystallization plates at high density. J.Struct.Biol., 191, 2015
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7NC9
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7NCM
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4TVY
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![BU of 4tvy by Molmil](/molmil-images/mine/4tvy) | Apo resorufin ligase | 分子名称: | 5-(3,7-dihydroxy-10H-phenoxazin-2-yl)pentanamide, Lipoate-protein ligase A | 著者 | Goldman, P.J, Drennan, C.L. | 登録日 | 2014-06-28 | 公開日 | 2014-10-22 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.151 Å) | 主引用文献 | Computational design of a red fluorophore ligase for site-specific protein labeling in living cells. Proc.Natl.Acad.Sci.USA, 111, 2014
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7NCU
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7NCT
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