5IAW
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![BU of 5iaw by Molmil](/molmil-images/mine/5iaw) | Novel natural FXR modulator with a unique binding mode | 分子名称: | (1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-hydroxybenzoate, Bile acid receptor, Peptide from Nuclear receptor coactivator 2 | 著者 | Lu, Y, Li, Y. | 登録日 | 2016-02-22 | 公開日 | 2017-03-08 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | 主引用文献 | A Novel Class of Natural FXR Modulators with a Unique Mode of Selective Co-regulator Assembly Chembiochem, 18, 2017
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6RQE
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![BU of 6rqe by Molmil](/molmil-images/mine/6rqe) | CYP121 in complex with 3-acetylene dicyclotyrosine | 分子名称: | 3-acetylene dicyclotyrosine, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Poddar, H, Levy, C. | 登録日 | 2019-05-15 | 公開日 | 2020-04-22 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | 主引用文献 | Structure-Activity Relationships ofcyclo(l-Tyrosyl-l-tyrosine) Derivatives Binding toMycobacterium tuberculosisCYP121: Iodinated Analogues Promote Shift to High-Spin Adduct. J.Med.Chem., 62, 2019
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4L33
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![BU of 4l33 by Molmil](/molmil-images/mine/4l33) | Tankyrase 2 in complex with cyanomethyl 4-(4-oxo-4H-chromen-2-yl)benzoate | 分子名称: | DI(HYDROXYETHYL)ETHER, GLYCEROL, SULFATE ION, ... | 著者 | Narwal, M, Haikarainen, T, Lehtio, L. | 登録日 | 2013-06-05 | 公開日 | 2013-10-30 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity. J.Med.Chem., 56, 2013
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4L0I
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![BU of 4l0i by Molmil](/molmil-images/mine/4l0i) | Tankyrase 2 catalytic domain in complex with ethyl 4-(4-oxo-4H-chromen-2-yl)benzoate | 分子名称: | SULFATE ION, Tankyrase-2, ZINC ION, ... | 著者 | Narwal, M, Haikarainen, T, Lehtio, L. | 登録日 | 2013-05-31 | 公開日 | 2013-10-30 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity. J.Med.Chem., 56, 2013
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4L0T
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![BU of 4l0t by Molmil](/molmil-images/mine/4l0t) | Tankyrase 2 in complex with 4'-nitro flavone | 分子名称: | 2-(4-nitrophenyl)-4H-chromen-4-one, GLYCEROL, SULFATE ION, ... | 著者 | Narwal, M, Haikarainen, T, Lehtio, L. | 登録日 | 2013-06-01 | 公開日 | 2013-10-30 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity. J.Med.Chem., 56, 2013
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5NWC
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![BU of 5nwc by Molmil](/molmil-images/mine/5nwc) | Crystal structure of TNKS2 in complex with 2-(2-aminophenyl)-3,4-dihydroquinazolin-4-one | 分子名称: | 2-(2-aminophenyl)-3~{H}-quinazolin-4-one, GLYCEROL, SULFATE ION, ... | 著者 | Nkizinkiko, Y, Haikarainen, T, Lehtio, L. | 登録日 | 2017-05-05 | 公開日 | 2018-05-02 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | 2-Phenylquinazolinones as dual-activity tankyrase-kinase inhibitors. Sci Rep, 8, 2018
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2AGA
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![BU of 2aga by Molmil](/molmil-images/mine/2aga) | De-ubiquitinating function of ataxin-3: insights from the solution structure of the Josephin domain | 分子名称: | Machado-Joseph disease protein 1 | 著者 | Mao, Y, Senic-Matuglia, F, Di Fiore, P, Polo, S, Hodsdon, M.E, De Camilli, P. | 登録日 | 2005-07-26 | 公開日 | 2005-08-30 | 最終更新日 | 2024-05-08 | 実験手法 | SOLUTION NMR | 主引用文献 | Deubiquitinating function of ataxin-3: insights from the solution structure of the Josephin domain. Proc.Natl.Acad.Sci.Usa, 102, 2005
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5NZZ
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![BU of 5nzz by Molmil](/molmil-images/mine/5nzz) | |
6LLB
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![BU of 6llb by Molmil](/molmil-images/mine/6llb) | Crystal structure of mpy-RNase J (mutant S247A), an archaeal RNase J from Methanolobus psychrophilus R15, in complex with 6 nt RNA | 分子名称: | MPY-RNase J, RNA (5'-R(P*AP*AP*AP*AP*AP*A)-3'), SULFATE ION, ... | 著者 | Li, D.F, Hou, Y.J, Guo, L. | 登録日 | 2019-12-22 | 公開日 | 2020-01-01 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | A newly identified duplex RNA unwinding activity of archaeal RNase J depends on processive exoribonucleolysis coupled steric occlusion by its structural archaeal loops. Rna Biol., 17, 2020
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6RQ8
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![BU of 6rq8 by Molmil](/molmil-images/mine/6rq8) | CYP121 in complex with 3-iodo dicyclotyrosine | 分子名称: | (3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(3-iodanyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mycocyclosin synthase, ... | 著者 | Poddar, H, Levy, C. | 登録日 | 2019-05-15 | 公開日 | 2020-04-22 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | 主引用文献 | Structure-Activity Relationships of cyclo (l-Tyrosyl-l-tyrosine) Derivatives Binding to Mycobacterium tuberculosis CYP121: Iodinated Analogues Promote Shift to High-Spin Adduct. J.Med.Chem., 62, 2019
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4KIN
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2VRR
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![BU of 2vrr by Molmil](/molmil-images/mine/2vrr) | Structure of SUMO modified Ubc9 | 分子名称: | FORMIC ACID, SMALL UBIQUITIN-RELATED MODIFIER 1, SODIUM ION, ... | 著者 | Knipscheer, P, Flotho, A, Klug, H, Olsen, J.V, van Dijk, W.J, Fish, A, Johnson, E.S, Mann, M, Sixma, T.K, Pichler, A. | 登録日 | 2008-04-13 | 公開日 | 2008-08-19 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | Ubc9 sumoylation regulates SUMO target discrimination. Mol. Cell, 31, 2008
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3UVP
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![BU of 3uvp by Molmil](/molmil-images/mine/3uvp) | Human p38 MAP Kinase in Complex with a Benzamide Substituted Benzosuberone | 分子名称: | Mitogen-activated protein kinase 14, N-{2-fluoro-5-[(5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)amino]phenyl}benzamide, octyl beta-D-glucopyranoside | 著者 | Mayer-Wrangowski, S.C, Richters, A, Gruetter, C, Rauh, D. | 登録日 | 2011-11-30 | 公開日 | 2012-11-07 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Targeting the Hinge Glycine Flip and the Activation Loop: Novel Approach to Potent p38 alpha Inhibitors. J.Med.Chem., 55, 2012
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6RLT
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![BU of 6rlt by Molmil](/molmil-images/mine/6rlt) | Trypanosoma brucei Seryl-tRNA Synthetase in Complex with 5'-O-(N-(L-seryl)-Sulfamoyl)uridine | 分子名称: | 5'-O-(N-(L-seryl)-Sulfamoyl)uridine, GLYCEROL, MALONATE ION, ... | 著者 | Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D. | 登録日 | 2019-05-02 | 公開日 | 2020-01-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases. Acs Chem.Biol., 15, 2020
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3L0B
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![BU of 3l0b by Molmil](/molmil-images/mine/3l0b) | Crystal structure of SCP1 phosphatase D206A mutant phosphoryl-intermediate | 分子名称: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1, MAGNESIUM ION | 著者 | Zhang, M, Zhang, Y. | 登録日 | 2009-12-09 | 公開日 | 2010-03-23 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Structural and functional analysis of the phosphoryl transfer reaction mediated by the human small C-terminal domain phosphatase, Scp1. Protein Sci., 19, 2010
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3UVR
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![BU of 3uvr by Molmil](/molmil-images/mine/3uvr) | Human p38 MAP Kinase in Complex with KM064 | 分子名称: | 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-{3-[(5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)amino]phenyl}urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | 著者 | Richters, A, Mayer-Wrangowski, S.C, Gruetter, C, Rauh, D. | 登録日 | 2011-11-30 | 公開日 | 2012-12-19 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 |
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3L0Y
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![BU of 3l0y by Molmil](/molmil-images/mine/3l0y) | Crystal structure OF SCP1 phosphatase D98A mutant | 分子名称: | Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1, MAGNESIUM ION | 著者 | Zhang, M, Zhang, Y. | 登録日 | 2009-12-10 | 公開日 | 2010-03-23 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural and functional analysis of the phosphoryl transfer reaction mediated by the human small C-terminal domain phosphatase, Scp1. Protein Sci., 19, 2010
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4KRS
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![BU of 4krs by Molmil](/molmil-images/mine/4krs) | Tankyrase-1 complexed with small molecule inhibitor | 分子名称: | 4-tert-butyl-N-(5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)benzamide, SULFATE ION, Tankyrase-1, ... | 著者 | Stams, T, Kirby, C. | 登録日 | 2013-05-17 | 公開日 | 2013-08-28 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | Structure-Efficiency Relationship of [1,2,4]Triazol-3-ylamines as Novel Nicotinamide Isosteres that Inhibit Tankyrases. J.Med.Chem., 56, 2013
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6J65
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![BU of 6j65 by Molmil](/molmil-images/mine/6j65) | Crystal structure of human HINT1 mutant complexing with AP4A II | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BIS(ADENOSINE)-5'-TETRAPHOSPHATE, Histidine triad nucleotide-binding protein 1 | 著者 | Wang, J, Fang, P, Guo, M. | 登録日 | 2019-01-14 | 公開日 | 2019-09-25 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells. Nat Commun, 10, 2019
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2V8S
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![BU of 2v8s by Molmil](/molmil-images/mine/2v8s) | VTI1B HABC DOMAIN - EPSINR ENTH DOMAIN COMPLEX | 分子名称: | CLATHRIN INTERACTOR 1, GLYCEROL, VESICLE TRANSPORT THROUGH INTERACTION WITH T-SNARES HOMOLOG 1B | 著者 | Owen, D.J, McCoy, A.J, Collins, B.M, Miller, S.E. | 登録日 | 2007-08-14 | 公開日 | 2007-11-27 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | A Snare-Adaptor Interaction is a New Mode of Cargo Recognition in Clathrin Coated Vesicles Nature, 450, 2007
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4YPA
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![BU of 4ypa by Molmil](/molmil-images/mine/4ypa) | ASH1L SET domain Q2265A mutant in complex with S-adenosyl methionine (SAM) | 分子名称: | Histone-lysine N-methyltransferase ASH1L, S-ADENOSYLMETHIONINE, ZINC ION | 著者 | Rogawski, D.S, Ndoj, J, Cho, H.J, Maillard, I, Grembecka, J, Cierpicki, T. | 登録日 | 2015-03-12 | 公開日 | 2015-09-02 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Two Loops Undergoing Concerted Dynamics Regulate the Activity of the ASH1L Histone Methyltransferase. Biochemistry, 54, 2015
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8K6P
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![BU of 8k6p by Molmil](/molmil-images/mine/8k6p) | |
2DMV
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![BU of 2dmv by Molmil](/molmil-images/mine/2dmv) | Solution structure of the second ww domain of Itchy homolog E3 ubiquitin protein ligase (Itch) | 分子名称: | Itchy homolog E3 ubiquitin protein ligase | 著者 | Ohnishi, S, Paakkonen, K, Tochio, N, Tomizawa, T, Koshiba, S, Inoue, M, Guntert, P, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | 登録日 | 2006-04-24 | 公開日 | 2006-10-24 | 最終更新日 | 2024-05-29 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of the second ww domain of Itchy homolog E3 ubiquitin protein ligase (Itch) To be Published
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5O8V
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![BU of 5o8v by Molmil](/molmil-images/mine/5o8v) | |
5O90
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![BU of 5o90 by Molmil](/molmil-images/mine/5o90) | |