6ACV
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![BU of 6acv by Molmil](/molmil-images/mine/6acv) | the solution NMR structure of MBD domain | 分子名称: | Methyl-CpG-binding domain-containing protein 11 | 著者 | Li, S.L, Feng, Y.Y, Zhou, Y, Ding, Y.M, Liu, K, Nie, Y, Li, F, Yang, Y.Y. | 登録日 | 2018-07-27 | 公開日 | 2019-07-31 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | the solution NMR structure of MBD domains To Be Published
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6LN1
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![BU of 6ln1 by Molmil](/molmil-images/mine/6ln1) | A natural inhibitor of DYRK1A for treatment of diabetes mellitus | 分子名称: | 1,3,5,8-tetrakis(oxidanyl)xanthen-9-one, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 著者 | Li, H, Chen, L.X, Zheng, M.Z, Zhang, Q.Z, Zhang, C.L, Wu, C.R, Yang, K.Y, Song, Z.R, Wang, Q.Q, Li, C, Zhou, Y.R, Chen, J.C. | 登録日 | 2019-12-28 | 公開日 | 2021-10-06 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.699 Å) | 主引用文献 | A natural DYRK1A inhibitor as a potential stimulator for beta-cell proliferation in diabetes. Clin Transl Med, 11, 2021
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3FYS
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![BU of 3fys by Molmil](/molmil-images/mine/3fys) | Crystal Structure of DegV, a fatty acid binding protein from Bacillus subtilis | 分子名称: | 1,2-ETHANEDIOL, BROMIDE ION, PALMITIC ACID, ... | 著者 | Nan, J, Zhou, Y.F, Yang, C. | 登録日 | 2009-01-23 | 公開日 | 2009-05-12 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structure of a fatty acid-binding protein from Bacillus subtilis determined by sulfur-SAD phasing using in-house chromium radiation Acta Crystallogr.,Sect.D, 65, 2009
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3V3M
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![BU of 3v3m by Molmil](/molmil-images/mine/3v3m) | Severe Acute Respiratory Syndrome Coronavirus (SARS-CoV) 3CL Protease in Complex with N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide inhibitor. | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide | 著者 | Jacobs, J, Grum-Tokars, V, Zhou, Y, Turlington, M, Saldanha, S.A, Chase, P, Eggler, A, Dawson, E.S, Baez-Santos, Y.M, Tomar, S, Mielech, A.M, Baker, S.C, Lindsley, C.W, Hodder, P, Mesecar, A, Stauffer, S.R. | 登録日 | 2011-12-13 | 公開日 | 2013-01-16 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Discovery, Synthesis, And Structure-Based Optimization of a Series of N-(tert-Butyl)-2-(N-arylamido)-2-(pyridin-3-yl) Acetamides (ML188) as Potent Noncovalent Small Molecule Inhibitors of the Severe Acute Respiratory Syndrome Coronavirus (SARS-CoV) 3CL Protease. J.Med.Chem., 56, 2013
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3OOP
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![BU of 3oop by Molmil](/molmil-images/mine/3oop) | The structure of a protein with unknown function from Listeria innocua Clip11262 | 分子名称: | Lin2960 protein | 著者 | Fan, Y, Li, H, Zhou, Y, Gu, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | 登録日 | 2010-08-31 | 公開日 | 2010-09-22 | 最終更新日 | 2017-11-08 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | The structure of a protein with unknown function from Listeria innocua Clip11262 To be Published
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5ZUT
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![BU of 5zut by Molmil](/molmil-images/mine/5zut) | Crystal Structure of Yeast PCNA in Complex with N24 Peptide | 分子名称: | N24, Proliferating cell nuclear antigen | 著者 | Cheng, X.Y, Kuang, X.L, Zhou, Y, Xia, X.M, SU, Z.D. | 登録日 | 2018-05-08 | 公開日 | 2018-05-30 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (2.82 Å) | 主引用文献 | Crystal Structure of Yeast PCNA in Complex with N24 Peptide To Be Published
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6LUK
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6LUJ
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3WQW
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![BU of 3wqw by Molmil](/molmil-images/mine/3wqw) | Crystal structure of Ostrinia furnacalis Group I chitinase catalytic domain in complex with a(GlcN)6 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | 著者 | Chen, L, Zhou, Y, Yang, Q. | 登録日 | 2014-02-03 | 公開日 | 2014-05-28 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Fully deacetylated chitooligosaccharides act as efficient glycoside hydrolase family 18 chitinase inhibitors. J.Biol.Chem., 289, 2014
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6FCE
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![BU of 6fce by Molmil](/molmil-images/mine/6fce) | NMR ensemble of Macrocyclic Peptidomimetic Containing Constrained a,a-dialkylated Amino Acids with Potent and Selective Activity at Human Melanocortin Receptors | 分子名称: | ACP-HIS-DPHE-ARG-TRP-ASP-NH2 | 著者 | Brancaccio, D, Carotenuto, A, Grieco, P, Merlino, F, Zhou, Y, Cai, M, Yousif, A.M, Di Maro, S, Novellino, E, Hruby, V.J. | 登録日 | 2017-12-20 | 公開日 | 2018-04-25 | 最終更新日 | 2018-05-23 | 実験手法 | SOLUTION NMR | 主引用文献 | Development of Macrocyclic Peptidomimetics Containing Constrained alpha , alpha-Dialkylated Amino Acids with Potent and Selective Activity at Human Melanocortin Receptors. J. Med. Chem., 61, 2018
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3WQV
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![BU of 3wqv by Molmil](/molmil-images/mine/3wqv) | Crystal structure of Ostrinia furnacalis Group I chitinase catalytic domain in complex with a(GlcN)5 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | 著者 | Chen, L, Zhou, Y, Yang, Q. | 登録日 | 2014-02-03 | 公開日 | 2014-05-28 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.043 Å) | 主引用文献 | Fully deacetylated chitooligosaccharides act as efficient glycoside hydrolase family 18 chitinase inhibitors. J.Biol.Chem., 289, 2014
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6B7N
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![BU of 6b7n by Molmil](/molmil-images/mine/6b7n) | Cryo-electron microscopy structure of porcine delta coronavirus spike protein in the pre-fusion state | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 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, ... | 著者 | Shang, J, Zheng, Y, Yang, Y, Liu, C, Geng, Q, Tai, W, Du, L, Zhou, Y, Zhang, W, Li, F. | 登録日 | 2017-10-04 | 公開日 | 2017-10-25 | 最終更新日 | 2020-07-29 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Cryo-Electron Microscopy Structure of Porcine Deltacoronavirus Spike Protein in the Prefusion State J. Virol., 92, 2018
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3O0J
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![BU of 3o0j by Molmil](/molmil-images/mine/3o0j) | PDE4B In complex with ligand an2898 | 分子名称: | 1,2-ETHANEDIOL, 4-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)oxy]benzene-1,2-dicarbonitrile, MAGNESIUM ION, ... | 著者 | Alley, M.R.K, Zhou, Y. | 登録日 | 2010-07-19 | 公開日 | 2011-08-10 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Boron-based phosphodiesterase inhibitors show novel binding of boron to PDE4 bimetal center. Febs Lett., 586, 2012
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3OOS
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![BU of 3oos by Molmil](/molmil-images/mine/3oos) | The structure of an alpha/beta fold family hydrolase from Bacillus anthracis str. Sterne | 分子名称: | Alpha/beta hydrolase family protein, GLYCEROL, SULFATE ION, ... | 著者 | Fan, Y, Tan, K, Bigelow, L, Hamilton, J, Li, H, Zhou, Y, Clancy, S, Buck, K, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | 登録日 | 2010-08-31 | 公開日 | 2010-11-10 | 最終更新日 | 2017-11-08 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | The structure of an alpha/beta fold family hydrolase from Bacillus anthracis str. Sterne To be Published
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6L17
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![BU of 6l17 by Molmil](/molmil-images/mine/6l17) | Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives | 分子名称: | 7-chloranyl-5-[3-[(3~{S})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazin-8-amine, Serine/threonine-protein kinase pim-1 | 著者 | Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y. | 登録日 | 2019-09-27 | 公開日 | 2020-09-02 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors. J.Chem.Inf.Model., 60, 2020
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6L11
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![BU of 6l11 by Molmil](/molmil-images/mine/6l11) | Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives | 分子名称: | 5-(2-chloranylphenoxazin-10-yl)-~{N},~{N}-diethyl-pentan-1-amine, Serine/threonine-protein kinase pim-1 | 著者 | Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y. | 登録日 | 2019-09-27 | 公開日 | 2020-05-27 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors. J.Chem.Inf.Model., 60, 2020
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6L13
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![BU of 6l13 by Molmil](/molmil-images/mine/6l13) | Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives | 分子名称: | 2-chloranyl-10-(2-piperidin-4-ylethyl)phenoxazine, Serine/threonine-protein kinase pim-1 | 著者 | Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y. | 登録日 | 2019-09-27 | 公開日 | 2020-05-27 | 最終更新日 | 2020-07-08 | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | 主引用文献 | Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors. J.Chem.Inf.Model., 60, 2020
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6L14
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![BU of 6l14 by Molmil](/molmil-images/mine/6l14) | Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives | 分子名称: | 2-chloranyl-10-[3-[(3~{S})-piperidin-3-yl]propyl]phenoxazine, Serine/threonine-protein kinase pim-1 | 著者 | Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y. | 登録日 | 2019-09-27 | 公開日 | 2020-05-27 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors. J.Chem.Inf.Model., 60, 2020
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6AF0
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![BU of 6af0 by Molmil](/molmil-images/mine/6af0) | Structure of Ctr9, Paf1 and Cdc73 ternary complex from Myceliophthora thermophila | 分子名称: | Cdc73 protein, Ctr9 protein, Paf1 protein | 著者 | Wang, Z, Deng, P, Zhou, Y. | 登録日 | 2018-08-07 | 公開日 | 2018-09-19 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.88 Å) | 主引用文献 | Transcriptional elongation factor Paf1 core complex adopts a spirally wrapped solenoidal topology. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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2DWE
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![BU of 2dwe by Molmil](/molmil-images/mine/2dwe) | Crystal structure of KcsA-FAB-TBA complex in Rb+ | 分子名称: | (2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATE, ANTIBODY FAB HEAVY CHAIN, ANTIBODY FAB LIGHT CHAIN, ... | 著者 | Yohannan, S, Zhou, Y. | 登録日 | 2006-08-10 | 公開日 | 2007-02-20 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystallographic Study of the Tetrabutylammonium Block to the KcsA K(+) Channel J.Mol.Biol., 366, 2007
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2DWD
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![BU of 2dwd by Molmil](/molmil-images/mine/2dwd) | crystal structure of KcsA-FAB-TBA complex in Tl+ | 分子名称: | (2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATE, ANTIBODY FAB HEAVY CHAIN, ANTIBODY FAB LIGHT CHAIN, ... | 著者 | Yohannan, S, Zhou, Y. | 登録日 | 2006-08-10 | 公開日 | 2007-02-20 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Crystallographic Study of the Tetrabutylammonium Block to the KcsA K(+) Channel J.Mol.Biol., 366, 2007
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6NII
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3WMC
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![BU of 3wmc by Molmil](/molmil-images/mine/3wmc) | Crystal structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 complexed with naphthalimide derivative Q2 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-(dimethylamino)-2-(2-{[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, Beta-hexosaminidase | 著者 | Chen, L, Zhou, Y, Chen, L, Yang, Q. | 登録日 | 2013-11-16 | 公開日 | 2014-11-05 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.095 Å) | 主引用文献 | A crystal structure-guided rational design switching non-carbohydrate inhibitors' specificity between two beta-GlcNAcase homologs Sci Rep, 4, 2014
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3WMB
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![BU of 3wmb by Molmil](/molmil-images/mine/3wmb) | Crystal structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 complexed with naphthalimide derivative Q1 | 分子名称: | 2-(2-{[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-hexosaminidase | 著者 | Liu, T, Zhou, Y, Chen, L, Yang, Q. | 登録日 | 2013-11-16 | 公開日 | 2014-11-05 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | A crystal structure-guided rational design switching non-carbohydrate inhibitors' specificity between two beta-GlcNAcase homologs Sci Rep, 4, 2014
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2XCN
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![BU of 2xcn by Molmil](/molmil-images/mine/2xcn) | Crystal structure of HCV NS3 protease with a boronate inhibitor | 分子名称: | MAGNESIUM ION, N-[(CYCLOPENTYLOXY)CARBONYL]-3-METHYL-L-VALYL-(4R)-N-{(1R)-3-HYDROXY-1-[HYDROXY(OXIDO)BORANYL]PROPYL}-4-(ISOQUINOLIN-1-YLOXY)-L-PROLINAMIDE, NS3 PROTEASE, ... | 著者 | Li, X, Zhang, Y.-K, Liu, Y, Ding, C.Z, Li, Q, Zhou, Y, Plattner, J.J, Baker, S.J, Qian, X, Fan, D, Liao, L, Ni, Z.-J, White, G.V, Mordaunt, J.E, Lazarides, L.X, Slater, M.J, Jarvest, R.L, Thommes, P, Ellis, M, Edge, C.M, Hubbard, J.A, Nassau, P, McDowell, B, Skarzynski, T.J, Rowland, P, Somers, D.O, Kazmierski, W.M, Grimes, R.M, Wright, L.L, Smith, G.K, Zou, W, Wright, J, Pennicott, L.E. | 登録日 | 2010-04-23 | 公開日 | 2010-06-02 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (3.02 Å) | 主引用文献 | Synthesis and Evaluation of Novel Alpha-Amino Cyclic Boronates as Inhibitors of Hcv Ns3 Protease. Bioorg.Med.Chem.Lett., 20, 2010
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