8VXF
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![BU of 8vxf by Molmil](/molmil-images/mine/8vxf) | Structure of Casein kinase I isoform delta (CK1d) complexed with inhibitor 15 | 分子名称: | (2P,3P,8S)-2-(5-fluoropyridin-2-yl)-6,6-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine, Casein kinase I isoform delta | 著者 | Thompson, A.A, Milligan, C.M, Sharma, S. | 登録日 | 2024-02-04 | 公開日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | 主引用文献 | Structure-Based Optimization of Selective and Brain Penetrant CK1 delta Inhibitors for the Treatment of Circadian Disruptions. Acs Med.Chem.Lett., 15, 2024
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6MAV
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8DHZ
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![BU of 8dhz by Molmil](/molmil-images/mine/8dhz) | NMR Structure of Ac-hGal(17-30)NH2, an N-terminally acetylated fragment of the C-terminus of human galanin | 分子名称: | Galanin | 著者 | Kraichely, K.N, Hendy, C.M, Parnham, S, Giuliano, M.W. | 登録日 | 2022-06-28 | 公開日 | 2022-08-24 | 最終更新日 | 2022-09-07 | 実験手法 | SOLUTION NMR | 主引用文献 | The neuropeptide galanin adopts an irregular secondary structure. Biochem.Biophys.Res.Commun., 626, 2022
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7SZE
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6EQS
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![BU of 6eqs by Molmil](/molmil-images/mine/6eqs) | Human Sirt5 in complex with stalled peptidylimidate intermediate of inhibitory compound 29 | 分子名称: | 1,2-ETHANEDIOL, 1,3-BUTANEDIOL, 3-[[(~{Z})-~{C}-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]sulfanyl-~{N}-[(5~{S})-6-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]carbonimidoyl]amino]propanoic acid, ... | 著者 | Pannek, M, Steegborn, C. | 登録日 | 2017-10-15 | 公開日 | 2017-11-01 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | 主引用文献 | Mechanism-Based Inhibitors of the Human Sirtuin 5 Deacylase: Structure-Activity Relationship, Biostructural, and Kinetic Insight. Angew. Chem. Int. Ed. Engl., 56, 2017
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6EXJ
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![BU of 6exj by Molmil](/molmil-images/mine/6exj) | PDZ domain from rat Shank3 bound to the C terminus of somatostatin receptor subtype 2 | 分子名称: | SH3 and multiple ankyrin repeat domains protein 3, SSTR2 | 著者 | Ponna, S.K, Keller, C, Ruskamo, S, Myllykoski, M, Boeckers, T.M, Kursula, P. | 登録日 | 2017-11-08 | 公開日 | 2018-03-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural basis for PDZ domain interactions in the post-synaptic density scaffolding protein Shank3. J. Neurochem., 145, 2018
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4Q5P
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![BU of 4q5p by Molmil](/molmil-images/mine/4q5p) | Lysine-Ligated Yeast Iso-1 Cytochrome C | 分子名称: | Cytochrome c iso-1, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Amacher, J.F, Zhu, M.Q, Zhong, F, Pletneva, E.V, Madden, D.R. | 登録日 | 2014-04-17 | 公開日 | 2015-04-22 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | A Compact Structure of Cytochrome c Trapped in a Lysine-Ligated State: Loop Refolding and Functional Implications of a Conformational Switch. J.Am.Chem.Soc., 137, 2015
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6MSC
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![BU of 6msc by Molmil](/molmil-images/mine/6msc) | Novel, potent, selective and brain penetrant phosphodiesterase 10A inhibitors | 分子名称: | 8-fluoro-6-methoxy-3-methyl-1-(3-methylpyridin-4-yl)-3H-pyrazolo[3,4-c]cinnoline, MAGNESIUM ION, ZINC ION, ... | 著者 | Jakob, C.G. | 登録日 | 2018-10-16 | 公開日 | 2019-01-09 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | 主引用文献 | Novel, potent, selective, and brain penetrant phosphodiesterase 10A inhibitors. Bioorg. Med. Chem. Lett., 29, 2019
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5JJ7
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6MOI
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![BU of 6moi by Molmil](/molmil-images/mine/6moi) | Dimeric DARPin C_angle_R5 complex with EpoR | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Dimeric DARPing CCR5 (C_angle_R5), ... | 著者 | Jude, K.M, Mohan, K, Garcia, K.C, Guo, Y. | 登録日 | 2018-10-04 | 公開日 | 2019-06-05 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.065 Å) | 主引用文献 | Topological control of cytokine receptor signaling induces differential effects in hematopoiesis. Science, 364, 2019
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8R6W
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![BU of 8r6w by Molmil](/molmil-images/mine/8r6w) | Structure of the SFTSV L protein in a transcription-priming state with bound capped RNA [TRANSCRIPTION-PRIMING] | 分子名称: | RNA (5'-R(*(M7G)*AP*AP*A)-3'), RNA (5'-R(*AP*CP*AP*C)-3'), RNA (5'-R(*AP*CP*AP*CP*AP*GP*AP*GP*AP*CP*GP*CP*CP*CP*AP*G)-3'), ... | 著者 | Williams, H.M, Thorkelsson, S.R, Vogel, D, Busch, C, Milewski, M, Cusack, S, Grunewald, K, Quemin, E.R.J, Rosenthal, M. | 登録日 | 2023-11-23 | 公開日 | 2024-04-24 | 最終更新日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (3.35 Å) | 主引用文献 | Structural snapshots of phenuivirus cap-snatching and transcription. Nucleic Acids Res., 52, 2024
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4Y32
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![BU of 4y32 by Molmil](/molmil-images/mine/4y32) | Crystal structure of C-terminal modified Tau peptide-hybrid 109B with 14-3-3sigma | 分子名称: | (2S)-2-(2-methoxyethyl)pyrrolidine, 14-3-3 protein sigma, ARG-THR-PRO-SEP-LEU-PRO-CNC(C(C)O)C(=O)N1CCCC1CCOC | 著者 | Bartel, M, Milroy, L, Bier, D, Brunsveld, L, Ottmann, C. | 登録日 | 2015-02-10 | 公開日 | 2015-12-23 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Stabilizer-Guided Inhibition of Protein-Protein Interactions. Angew.Chem.Int.Ed.Engl., 54, 2015
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7EYI
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4QLN
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![BU of 4qln by Molmil](/molmil-images/mine/4qln) | structure of ydao riboswitch binding with c-di-dAMP | 分子名称: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, MAGNESIUM ION, RNA (117-MER) | 著者 | Ren, A.M, Patel, D.J. | 登録日 | 2014-06-12 | 公開日 | 2014-08-13 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | c-di-AMP binds the ydaO riboswitch in two pseudo-symmetry-related pockets. Nat.Chem.Biol., 10, 2014
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5C5Q
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![BU of 5c5q by Molmil](/molmil-images/mine/5c5q) | CRYSTAL STRUCTURE OF HUMAN TANKYRASE-2 IN COMPLEX WITH A PYRANOPYRIDONE INHIBITOR | 分子名称: | (3R)-10-methyl-3-(propan-2-yl)-1,3,4,5-tetrahydro-6H-pyrano[4,3-c]isoquinolin-6-one, SULFATE ION, Tankyrase-2, ... | 著者 | Lukacs, C.M, Janson, C.A. | 登録日 | 2015-06-21 | 公開日 | 2015-08-12 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Fragment-Based Drug Design of Novel Pyranopyridones as Cell Active and Orally Bioavailable Tankyrase Inhibitors. Acs Med.Chem.Lett., 6, 2015
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6STK
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5MXO
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![BU of 5mxo by Molmil](/molmil-images/mine/5mxo) | Crystal structure of 14-3-3sigma and a p53 C-terminal 12-mer synthetic phosphopeptide stabilized by Fusicoccin-A | 分子名称: | 14-3-3 protein sigma, CHLORIDE ION, FUSICOCCIN, ... | 著者 | Andrei, S, Ottmann, C, Leysen, S. | 登録日 | 2017-01-24 | 公開日 | 2017-11-08 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Small-molecule stabilization of the p53 - 14-3-3 protein-protein interaction. FEBS Lett., 591, 2017
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5BZB
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![BU of 5bzb by Molmil](/molmil-images/mine/5bzb) | NavMs voltage-gated sodium channel pore and C-terminal domain | 分子名称: | DODECAETHYLENE GLYCOL, HEGA-10, Ion transport protein, ... | 著者 | Naylor, C.E, Bagneris, C, Wallace, B.A. | 登録日 | 2015-06-11 | 公開日 | 2016-02-24 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Molecular basis of ion permeability in a voltage-gated sodium channel. Embo J., 35, 2016
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5GIP
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![BU of 5gip by Molmil](/molmil-images/mine/5gip) | Crystal structure of box C/D RNP with 13 nt guide regions and 11 nt substrates | 分子名称: | 50S ribosomal protein L7Ae, C/D RNA, C/D box methylation guide ribonucleoprotein complex aNOP56 subunit, ... | 著者 | Yang, Z, Lin, J, Ye, K. | 登録日 | 2016-06-24 | 公開日 | 2016-09-14 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (3.129 Å) | 主引用文献 | Box C/D guide RNAs recognize a maximum of 10 nt of substrates Proc.Natl.Acad.Sci.USA, 113, 2016
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6VHS
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![BU of 6vhs by Molmil](/molmil-images/mine/6vhs) | Crystal structure of CTX-M-14 in complex with beta-lactamase inhibitor ETX1317 | 分子名称: | (2R)-({[(3R,6S)-6-carbamoyl-1-formyl-4-methyl-1,2,3,6-tetrahydropyridin-3-yl]amino}oxy)(fluoro)acetic acid, Beta-lactamase, PHOSPHATE ION | 著者 | Sacco, M.D, Chen, Y. | 登録日 | 2020-01-10 | 公開日 | 2020-08-26 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | 主引用文献 | Discovery of an Orally Available Diazabicyclooctane Inhibitor (ETX0282) of Class A, C, and D Serine beta-Lactamases. J.Med.Chem., 63, 2020
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5C5P
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![BU of 5c5p by Molmil](/molmil-images/mine/5c5p) | CRYSTAL STRUCTURE OF HUMAN TANKYRASE-2 IN COMPLEX WITH A PYRANOPYRIDONE INHIBITOR | 分子名称: | (3R)-3-(1-hydroxy-2-methylpropan-2-yl)-1,3,4,5-tetrahydro-6H-pyrano[4,3-c]isoquinolin-6-one, SULFATE ION, Tankyrase-2, ... | 著者 | Lukacs, C.M, Janson, C.A. | 登録日 | 2015-06-21 | 公開日 | 2015-08-12 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Fragment-Based Drug Design of Novel Pyranopyridones as Cell Active and Orally Bioavailable Tankyrase Inhibitors. Acs Med.Chem.Lett., 6, 2015
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6F63
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6HU9
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![BU of 6hu9 by Molmil](/molmil-images/mine/6hu9) | III2-IV2 mitochondrial respiratory supercomplex from S. cerevisiae | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, 5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-6-METHYL-BENZENE-1,4-DIOL, CALCIUM ION, ... | 著者 | Hartley, A.M, Pinotsis, N, Marechal, A. | 登録日 | 2018-10-05 | 公開日 | 2018-12-26 | 最終更新日 | 2019-12-11 | 実験手法 | ELECTRON MICROSCOPY (3.35 Å) | 主引用文献 | Structure of yeast cytochrome c oxidase in a supercomplex with cytochrome bc1. Nat. Struct. Mol. Biol., 26, 2019
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5MYK
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4QT7
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