3QQK
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![BU of 3qqk by Molmil](/molmil-images/mine/3qqk) | CDK2 in complex with inhibitor L4 | 分子名称: | 1,2-ETHANEDIOL, Cyclin-dependent kinase 2, [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](phenyl)methanone | 著者 | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | 登録日 | 2011-02-15 | 公開日 | 2012-10-31 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
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4Q1A
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![BU of 4q1a by Molmil](/molmil-images/mine/4q1a) | Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 6 {2-[5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethanol} | 分子名称: | 2-(5-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenoxy)ethan-1-ol, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE | 著者 | Nomme, J, Lavie, A. | 登録日 | 2014-04-03 | 公開日 | 2015-02-18 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability. J.Med.Chem., 57, 2014
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7JUN
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![BU of 7jun by Molmil](/molmil-images/mine/7jun) | |
5IB2
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![BU of 5ib2 by Molmil](/molmil-images/mine/5ib2) | Crystal structure of HLA-B*27:05 complexed with the self-peptide pVIPR | 分子名称: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | 著者 | Janke, R, Ballaschk, M, Schmieder, P, Uchanska-Ziegler, B, Ziegler, A, Loll, B. | 登録日 | 2016-02-22 | 公開日 | 2017-02-01 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | 主引用文献 | Metal-triggered conformational reorientation of a self-peptide bound to a disease-associated HLA-B*27 subtype. J.Biol.Chem., 2019
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5IB5
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![BU of 5ib5 by Molmil](/molmil-images/mine/5ib5) | Crystal structure of HLA-B*27:09 complexed with the self-peptide pVIPR and Copper | 分子名称: | Beta-2-microglobulin, CHLORIDE ION, COPPER (II) ION, ... | 著者 | Janke, R, Ballaschk, M, Schmieder, P, Uchanska-Ziegler, B, Ziegler, A, Loll, B. | 登録日 | 2016-02-22 | 公開日 | 2017-02-01 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | 主引用文献 | Metal-triggered conformational reorientation of a self-peptide bound to a disease-associated HLA-B*27 subtype. J.Biol.Chem., 2019
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4PXL
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![BU of 4pxl by Molmil](/molmil-images/mine/4pxl) | Structure of Zm ALDH2-3 (RF2C) in complex with NAD | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, Cytosolic aldehyde dehydrogenase RF2C, ... | 著者 | Morera, S, Vigouroux, A, Kopecny, D. | 登録日 | 2014-03-24 | 公開日 | 2015-03-18 | 最終更新日 | 2015-05-20 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Role and structural characterization of plant aldehyde dehydrogenases from family 2 and family 7. Biochem.J., 468, 2015
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2D43
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![BU of 2d43 by Molmil](/molmil-images/mine/2d43) | Crystal structure of arabinofuranosidase complexed with arabinotriose | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-L-arabinofuranose-(1-5)-alpha-L-arabinofuranose, alpha-L-arabinofuranosidase B | 著者 | Miyanaga, A, Koseki, T, Miwa, Y, Matsuzawa, H, Wakagi, T, Shoun, H, Fushinobu, S. | 登録日 | 2005-10-07 | 公開日 | 2006-09-19 | 最終更新日 | 2021-11-10 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | The family 42 carbohydrate-binding module of family 54 alpha-L-arabinofuranosidase specifically binds the arabinofuranose side chain of hemicellulose Biochem.J., 399, 2006
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7NGH
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![BU of 7ngh by Molmil](/molmil-images/mine/7ngh) | Structure of glutamate transporter homologue in complex with Sybody | 分子名称: | ASPARTIC ACID, Proton/glutamate symporter, SDF family, ... | 著者 | Arkhipova, V, Slotboom, D.J, Guskov, A. | 登録日 | 2021-02-09 | 公開日 | 2021-09-15 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Kinetic mechanism of Na + -coupled aspartate transport catalyzed by Glt Tk . Commun Biol, 4, 2021
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4PZ0
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![BU of 4pz0 by Molmil](/molmil-images/mine/4pz0) | The crystal structure of a solute binding protein from Bacillus anthracis str. Ames in complex with quorum-sensing signal autoinducer-2 (AI-2) | 分子名称: | (2R,4S)-2-methyl-2,3,3,4-tetrahydroxytetrahydrofuran, 1,2-ETHANEDIOL, CHLORIDE ION, ... | 著者 | Tan, K, Gu, M, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2014-03-28 | 公開日 | 2014-04-09 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | The crystal structure of a solute binding protein from Bacillus anthracis str. Ames in complex with quorum-sensing signal autoinducer-2 (AI-2). To be Published
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4Q32
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![BU of 4q32 by Molmil](/molmil-images/mine/4q32) | Crystal Structure of Inosine 5'-monophosphate Dehydrogenase from Clostridium perfringens Complexed with IMP and C91 | 分子名称: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase, N-(naphthalen-2-yl)-2-[2-(pyridin-2-yl)-1H-benzimidazol-1-yl]acetamide | 著者 | Maltseva, N, Kim, Y, Makowska-Grzyska, M, Mulligan, R, Gu, M, Zhang, M, Mandapati, K, Gollapalli, D.R, Gorla, S.K, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2014-04-10 | 公開日 | 2014-07-09 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.788 Å) | 主引用文献 | Crystal Structure of Inosine 5'-monophosphate Dehydrogenase from Clostridium perfringens Complexed with IMP and C91 To be Published
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4Q3D
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![BU of 4q3d by Molmil](/molmil-images/mine/4q3d) | PylD cocrystallized with L-Ornithine-Nd-D-ornithine and NAD+ | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | 著者 | Quitterer, F, Beck, P, Bacher, A, Groll, M. | 登録日 | 2014-04-11 | 公開日 | 2014-04-23 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | The Formation of Pyrroline and Tetrahydropyridine Rings in Amino Acids Catalyzed by Pyrrolysine Synthase (PylD). Angew.Chem.Int.Ed.Engl., 53, 2014
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7NG7
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![BU of 7ng7 by Molmil](/molmil-images/mine/7ng7) | Src kinase bound to eCF506 trapped in inactive conformation | 分子名称: | 1,2-ETHANEDIOL, Proto-oncogene tyrosine-protein kinase Src, tert-butyl (4-(4-amino-1-(2-(4-(dimethylamino)piperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl)carbamate | 著者 | Lietha, D, Unciti-Broceta, A. | 登録日 | 2021-02-08 | 公開日 | 2021-09-15 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | A Conformation Selective Mode of Inhibiting SRC Improves Drug Efficacy and Tolerability. Cancer Res., 81, 2021
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4Q44
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![BU of 4q44 by Molmil](/molmil-images/mine/4q44) | Polymerase-Damaged DNA Complex | 分子名称: | 5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]thymidine, DNA (5'-D(*TP*CP*TP*AP*(RDG)P*GP*GP*TP*CP*CP*TP*AP*GP*GP*AP*CP*CP*C)-3'), DNA polymerase IV, ... | 著者 | Nair, D.T, Kottur, J, Sharma, A. | 登録日 | 2014-04-13 | 公開日 | 2015-05-06 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | 主引用文献 | Unique structural features in DNA polymerase IV enable efficient bypass of the N2 adduct induced by the nitrofurazone antibiotic Structure, 23, 2015
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4Q4R
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![BU of 4q4r by Molmil](/molmil-images/mine/4q4r) | tRNA-Guanine Transglycosylase (TGT) in Complex with 2-{[2-(Morpholin-4-yl)ethyl]amino}-1H,7H,8H-imidazo[4,5-g]quinazolin-8-one | 分子名称: | 2-{[2-(4-Morpholinyl)ethyl]amino}-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | 著者 | Neeb, M, Heine, A, Klebe, G. | 登録日 | 2014-04-15 | 公開日 | 2014-07-09 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.448 Å) | 主引用文献 | Beyond Affinity: Enthalpy-Entropy Factorization Unravels Complexity of a Flat Structure-Activity Relationship for Inhibition of a tRNA-Modifying Enzyme. J.Med.Chem., 57, 2014
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4Q56
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![BU of 4q56 by Molmil](/molmil-images/mine/4q56) | Structure of Helix aspersa agglutinin with natural glycosylation and N-acetyl-alpha-D-galactosamine (GalNAc) | 分子名称: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, ACETATE ION, Helix aspersa agglutinin (HAA), ... | 著者 | Pietrzyk, A.J, Bujacz, A, Bujacz, G. | 登録日 | 2014-04-16 | 公開日 | 2015-10-14 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | 主引用文献 | Structural studies of Helix aspersa agglutinin complexed with GalNAc: A lectin that serves as a diagnostic tool. Int.J.Biol.Macromol., 81, 2015
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6EP9
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![BU of 6ep9 by Molmil](/molmil-images/mine/6ep9) | |
3I90
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![BU of 3i90 by Molmil](/molmil-images/mine/3i90) | Crystal structure of human chromobox homolog 6 (CBX6) with H3K27 peptide | 分子名称: | Chromobox protein homolog 6, H3K27 peptide | 著者 | Amaya, M.F, Ravichandran, M, Loppnau, P, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC) | 登録日 | 2009-07-10 | 公開日 | 2009-09-08 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Recognition and specificity determinants of the human cbx chromodomains. J.Biol.Chem., 286, 2011
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5IES
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![BU of 5ies by Molmil](/molmil-images/mine/5ies) | |
4Q7Q
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![BU of 4q7q by Molmil](/molmil-images/mine/4q7q) | The crystal structure of a possible lipase from Chitinophaga pinensis DSM 2588 | 分子名称: | CHLORIDE ION, FORMIC ACID, Lipolytic protein G-D-S-L family, ... | 著者 | Tan, K, Tesar, C, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | 登録日 | 2014-04-25 | 公開日 | 2014-05-14 | 実験手法 | X-RAY DIFFRACTION (1.451 Å) | 主引用文献 | The crystal structure of a possible lipase from Chitinophaga pinensis DSM 2588 To be Published
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4Q8T
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![BU of 4q8t by Molmil](/molmil-images/mine/4q8t) | tRNA-Guanine Transglycosylase (TGT) in Complex with 6-Amino-2-[(2-phenylethyl)amino]-1H,7H,8H-imidazo[4,5-g]quinazolin-8-one | 分子名称: | 6-amino-2-[(2-phenylethyl)amino]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, CHLORIDE ION, GLYCEROL, ... | 著者 | Neeb, M, Heine, A, Klebe, G. | 登録日 | 2014-04-28 | 公開日 | 2015-05-20 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Addressing a New Subpocket of TGT by Elongated 2-Amino-lin-benzoguanines To be Published
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4Q82
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![BU of 4q82 by Molmil](/molmil-images/mine/4q82) | Crystal Structure of Phospholipase/Carboxylesterase from Haliangium ochraceum | 分子名称: | CHLORIDE ION, FORMIC ACID, GLYCEROL, ... | 著者 | Kim, Y, Hatzos-Skintges, C, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | 登録日 | 2014-04-25 | 公開日 | 2014-05-14 | 最終更新日 | 2018-01-31 | 実験手法 | X-RAY DIFFRACTION (1.848 Å) | 主引用文献 | Crystal Structure of Phospholipase/Carboxylesterase from Haliangium ochraceum To be Published
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4Q8N
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![BU of 4q8n by Molmil](/molmil-images/mine/4q8n) | |
4Q6J
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![BU of 4q6j by Molmil](/molmil-images/mine/4q6j) | Crystal Structure of EAL domain Protein from Listeria monocytogenes EGD-e | 分子名称: | 1,2-ETHANEDIOL, ACETIC ACID, GLYCEROL, ... | 著者 | Kim, Y, Bigelow, L, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | 登録日 | 2014-04-22 | 公開日 | 2014-05-07 | 実験手法 | X-RAY DIFFRACTION (1.369 Å) | 主引用文献 | Crystal Structure of EAL domain Protein from Listeria monocytogenes EGD-e To be Published
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7NQG
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![BU of 7nqg by Molmil](/molmil-images/mine/7nqg) | The structure of the SBP TarP_Rhp in complex with 4-hydroxyphenylacetate | 分子名称: | 1,2-ETHANEDIOL, 4-HYDROXYPHENYLACETATE, PHOSPHATE ION, ... | 著者 | Bisson, C, Salmon, R.C, West, L, Rafferty, J.B, Hitchcock, A, Thomas, G.H, Kelly, D.J. | 登録日 | 2021-03-01 | 公開日 | 2021-10-06 | 最終更新日 | 2022-01-26 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | The structural basis for high-affinity uptake of lignin-derived aromatic compounds by proteobacterial TRAP transporters. Febs J., 289, 2022
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4Q8W
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![BU of 4q8w by Molmil](/molmil-images/mine/4q8w) | tRNA-Guanine Transglycosylase (TGT) in Complex with 4-[2-({6-Amino-8-oxo-1H,7H,8H-imidazo[4,5-g]quinazolin-2-yl}amino)ethyl]benzoic acid | 分子名称: | 4-{2-[(6-amino-8-oxo-7,8-dihydro-1H-imidazo[4,5-g]quinazolin-2-yl)amino]ethyl}benzoic acid, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | 著者 | Neeb, M, Heine, A, Klebe, G. | 登録日 | 2014-04-28 | 公開日 | 2015-05-20 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | 主引用文献 | Addressing a New Subpocket of TGT by Elongated 2-Amino-lin-benzoguanines To be Published
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