7JPY
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7JQ4
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![BU of 7jq4 by Molmil](/molmil-images/mine/7jq4) | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI7 | Descriptor: | 3C-like proteinase, N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide | Authors: | Yang, K, Liu, W. | Deposit date: | 2020-08-10 | Release date: | 2020-12-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*. Chemmedchem, 16, 2021
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7JQ0
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![BU of 7jq0 by Molmil](/molmil-images/mine/7jq0) | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI3 | Descriptor: | 3C-like proteinase, N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | Authors: | Yang, K, Liu, W. | Deposit date: | 2020-08-10 | Release date: | 2020-12-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*. Chemmedchem, 16, 2021
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7JQ1
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![BU of 7jq1 by Molmil](/molmil-images/mine/7jq1) | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI4 | Descriptor: | 3C-like proteinase, N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl]propan-2-yl}-L-phenylalaninamide | Authors: | Yang, K, Liu, W. | Deposit date: | 2020-08-10 | Release date: | 2020-12-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*. Chemmedchem, 16, 2021
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3WVJ
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![BU of 3wvj by Molmil](/molmil-images/mine/3wvj) | The crystal structure of native glycosidic hydrolase | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-glucanase | Authors: | Chen, C.C, Huang, J.W, Zhao, P, Ko, T.P, Huang, C.H, Chan, H.C, Huang, Z, Liu, W, Cheng, Y.S, Liu, J.R, Guo, R.T. | Deposit date: | 2014-05-22 | Release date: | 2015-06-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural analyses and yeast production of the beta-1,3-1,4-glucanase catalytic module encoded by the licB gene of Clostridium thermocellum. Enzyme.Microb.Technol., 71, 2015
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8AZT
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![BU of 8azt by Molmil](/molmil-images/mine/8azt) | Type II amyloid-beta 42 filaments from high-spin supernatants of aqueous extracts from Alzheimer's disease brains | ABeta42 | Descriptor: | Amyloid-beta precursor protein | Authors: | Yang, Y, Stern, M.A, Meunier, L.A, Liu, W, Cai, Y.Q, Ericsson, M, Liu, L, Selkoe, J.D, Goedert, M, Scheres, H.W.S. | Deposit date: | 2022-09-06 | Release date: | 2022-11-02 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Abundant A beta fibrils in ultracentrifugal supernatants of aqueous extracts from Alzheimer's disease brains. Neuron, 111, 2023
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5AY7
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![BU of 5ay7 by Molmil](/molmil-images/mine/5ay7) | A psychrophilic glycoside hydrolase family 10 endo-beta-1,4-xylanase | Descriptor: | xylanase | Authors: | Zheng, Y, Li, Y, Liu, W, Guo, R.T. | Deposit date: | 2015-08-10 | Release date: | 2016-02-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural insight into potential cold adaptation mechanism through a psychrophilic glycoside hydrolase family 10 endo-beta-1,4-xylanase. J.Struct.Biol., 193, 2016
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2YHV
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1SGL
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![BU of 1sgl by Molmil](/molmil-images/mine/1sgl) | The three-dimensional structure and X-ray sequence reveal that trichomaglin is a novel S-like ribonuclease | Descriptor: | SULFATE ION, trichomaglin | Authors: | Gan, J.-H, Yu, L, Wu, J, Xu, H, Choudhary, J.S, Blackstock, W.P, Liu, W.-Y, Xia, Z.-X. | Deposit date: | 2004-02-24 | Release date: | 2004-06-22 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The three-dimensional structure and X-ray sequence reveal that trichomaglin is a novel S-like ribonuclease. Structure, 12, 2004
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7XQU
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![BU of 7xqu by Molmil](/molmil-images/mine/7xqu) | The structure of FLA-E*00301/EM-FECV-10 | Descriptor: | Beta-2-microglobulin, MHC class I antigen, peptide from Nucleoprotein | Authors: | Qiao, P.W, Yue, C, Peng, W.Y, Liu, K.F, Huo, S.T, Zhang, D, Chai, Y, Qi, J.X, Sun, Z.Y, Gao, G.F, Liu, W.J, Wu, G.Z. | Deposit date: | 2022-05-08 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Analysis of the characteristics of feline major histocompatibility complex class I molecules cross-presenting coronavirus peptides To Be Published
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6WQA
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![BU of 6wqa by Molmil](/molmil-images/mine/6wqa) | 2.0A angstrom A2a adenosine receptor structure using XFEL data collected in helium atmosphere. | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ... | Authors: | Lee, M.-Y, Geiger, J, Ishchenko, A, Han, G.W, Barty, A, White, T.A, Gati, C, Batyuk, A, Hunter, M.S, Aquila, A, Boutet, S, Weierstall, U, Cherezov, V, Liu, W. | Deposit date: | 2020-04-28 | Release date: | 2020-11-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Harnessing the power of an X-ray laser for serial crystallography of membrane proteins crystallized in lipidic cubic phase Iucrj, 7, 2020
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2YFX
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![BU of 2yfx by Molmil](/molmil-images/mine/2yfx) | Structure of L1196M Mutant Anaplastic Lymphoma Kinase in Complex with Crizotinib | Descriptor: | 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, TYROSINE-PROTEIN KINASE RECEPTOR | Authors: | McTigue, M, Deng, Y, Liu, W, Brooun, A. | Deposit date: | 2011-04-08 | Release date: | 2011-05-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Design of Potent and Selective Inhibitors to Overcome Clinical Anaplastic Lymphoma Kinase Mutations Resistant to Crizotinib. J.Med.Chem., 57, 2014
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8JQJ
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![BU of 8jqj by Molmil](/molmil-images/mine/8jqj) | Crystal structure of carbonyl reductase SSCR mutant 1 from Sporobolomyces Salmonicolor | Descriptor: | Aldehyde reductase 2 | Authors: | Zhang, H.L, Li, Q, Liu, W.D, Chen, X, Wu, Q.Q, Zhu, D.M. | Deposit date: | 2023-06-14 | Release date: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Engineering a Carbonyl Reductase to Simultaneously Increase Activity Toward Bulky Ketone and Isopropanol for Dynamic Kinetic Asymmetric Reduction via Enzymatic Hydrogen Transfer Acs Catalysis, 13, 2023
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5IJ7
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![BU of 5ij7 by Molmil](/molmil-images/mine/5ij7) | Structure of Hs/AcPRC2 in complex with a pyridone inhibitor | Descriptor: | 5,8-dichloro-2-[(4-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-({1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl}oxy)-3,4-dihydroisoquinolin-1(2H)-one, Enhancer of Zeste Homolog 2 (EZH2),Histone-lysine N-methyltransferase EZH2, Polycomb protein EED, ... | Authors: | Gajiwala, K.S, Brooun, A, Deng, Y.-L, Liu, W. | Deposit date: | 2016-03-01 | Release date: | 2016-05-04 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Polycomb repressive complex 2 structure with inhibitor reveals a mechanism of activation and drug resistance. Nat Commun, 7, 2016
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2VLC
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![BU of 2vlc by Molmil](/molmil-images/mine/2vlc) | Crystal structure of Natural Cinnamomin (Isoform III) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ribosome-inactivating protein, beta-D-mannopyranose, ... | Authors: | Azzi, A, Wang, T, Zhu, D.-W, Zou, Y.-S, Liu, W.-Y, Lin, S.-X. | Deposit date: | 2008-01-11 | Release date: | 2009-02-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Crystal Structure of Native Cinnamomin Isoform III and its Comparison with Other Ribosome Inactivating Proteins. Proteins: Struct., Funct., Bioinf., 74, 2009
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5JBM
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![BU of 5jbm by Molmil](/molmil-images/mine/5jbm) | Crystal structgure of Cac1 C-terminus | Descriptor: | Chromatin assembly factor 1 subunit p90 | Authors: | Churchill, M.E.A, Liu, W, Zhou, Y. | Deposit date: | 2016-04-13 | Release date: | 2016-10-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The Cac1 subunit of histone chaperone CAF-1 organizes CAF-1-H3/H4 architecture and tetramerizes histones. Elife, 5, 2016
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5GSV
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![BU of 5gsv by Molmil](/molmil-images/mine/5gsv) | Mouse MHC class I H-2Kd with a MERS-CoV-derived peptide 142-5 | Descriptor: | 10-mer peptide from Spike protein, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ... | Authors: | Liu, K, Chai, Y, Qi, J, Tan, W, Liu, W.J, Gao, G.F. | Deposit date: | 2016-08-17 | Release date: | 2017-04-26 | Method: | X-RAY DIFFRACTION (1.996 Å) | Cite: | Protective T Cell Responses Featured by Concordant Recognition of Middle East Respiratory Syndrome Coronavirus-Derived CD8+ T Cell Epitopes and Host MHC. J. Immunol., 198, 2017
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5GR7
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![BU of 5gr7 by Molmil](/molmil-images/mine/5gr7) | Mouse MHC class I H-2Kd with a MERS-CoV-derived peptide 37-1 | Descriptor: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, K-D alpha chain, ... | Authors: | Liu, K, Chai, Y, Qi, J, Tan, W, Liu, W.J, Gao, G.F. | Deposit date: | 2016-08-08 | Release date: | 2017-06-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Protective T Cell Responses Featured by Concordant Recognition of Middle East Respiratory Syndrome Coronavirus-Derived CD8+ T Cell Epitopes and Host MHC. J. Immunol., 198, 2017
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5GSR
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![BU of 5gsr by Molmil](/molmil-images/mine/5gsr) | Mouse MHC class I H-2Kd with a MERS-CoV-derived peptide I5A | Descriptor: | 9-mer peptide from Spike protein, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ... | Authors: | Liu, K, Chai, Y, Qi, J, Tan, W, Liu, W.J, Gao, G.F. | Deposit date: | 2016-08-17 | Release date: | 2017-04-26 | Method: | X-RAY DIFFRACTION (2.198 Å) | Cite: | Protective T Cell Responses Featured by Concordant Recognition of Middle East Respiratory Syndrome Coronavirus-Derived CD8+ T Cell Epitopes and Host MHC. J. Immunol., 198, 2017
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5DBF
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![BU of 5dbf by Molmil](/molmil-images/mine/5dbf) | Crystal Structure of Iridoid Synthase from Cantharanthus roseus in complex with NADPH | Descriptor: | Iridoid synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Hu, Y.M, Liu, W.D, Zheng, Y.Y, Xu, Z.X, Ko, T.P, Chen, C.C, Guo, R.T. | Deposit date: | 2015-08-21 | Release date: | 2015-11-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of Iridoid Synthase from Cantharanthus roseus with Bound NAD(+) , NADPH, or NAD(+) /10-Oxogeranial: Reaction Mechanisms Angew.Chem.Int.Ed.Engl., 54, 2015
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5GSB
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![BU of 5gsb by Molmil](/molmil-images/mine/5gsb) | Mouse MHC class I H-2Kd with a MERS-CoV-derived peptide 37-3 | Descriptor: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, K-D alpha chain, ... | Authors: | Liu, K, Chai, Y, Qi, J, Tan, W, Liu, W.J, Gao, G.F. | Deposit date: | 2016-08-15 | Release date: | 2017-07-12 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Protective T Cell Responses Featured by Concordant Recognition of Middle East Respiratory Syndrome Coronavirus-Derived CD8+ T Cell Epitopes and Host MHC. J. Immunol., 198, 2017
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5ET1
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![BU of 5et1 by Molmil](/molmil-images/mine/5et1) | Crystal structure of Myo3b-ARB1 in complex with Espin1-AR | Descriptor: | Espin, GLYCEROL, Myosin-IIIb | Authors: | Liu, H, Li, J, liu, W, Zhang, M. | Deposit date: | 2015-11-17 | Release date: | 2016-02-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Myosin III-mediated cross-linking and stimulation of actin bundling activity of Espin Elife, 5, 2016
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5DBI
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![BU of 5dbi by Molmil](/molmil-images/mine/5dbi) | Crystal Structure of Iridoid Synthase from Cantharanthus roseus in complex with NAD+ and 10-oxogeranial | Descriptor: | (2E,6E)-2,6-dimethylocta-2,6-dienedial, Iridoid synthase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Hu, Y.M, Liu, W.D, Zheng, Y.Y, Xu, Z.X, Ko, T.P, Chen, C.C, Guo, R.T. | Deposit date: | 2015-08-21 | Release date: | 2015-11-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structures of Iridoid Synthase from Cantharanthus roseus with Bound NAD(+) , NADPH, or NAD(+) /10-Oxogeranial: Reaction Mechanisms Angew.Chem.Int.Ed.Engl., 54, 2015
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8AZS
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![BU of 8azs by Molmil](/molmil-images/mine/8azs) | Type I amyloid-beta 42 filaments from high-spin supernatants of aqueous extracts from Alzheimer's disease brains | ABeta42 | Descriptor: | Amyloid-beta precursor protein | Authors: | Yang, Y, Stern, M.A, Meunier, L.A, Liu, W, Cai, Y.Q, Ericsson, M, Liu, L, Selkoe, J.D, Goedert, M, Scheres, H.W.S. | Deposit date: | 2022-09-06 | Release date: | 2022-11-02 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Abundant A beta fibrils in ultracentrifugal supernatants of aqueous extracts from Alzheimer's disease brains. Neuron, 111, 2023
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5GSX
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![BU of 5gsx by Molmil](/molmil-images/mine/5gsx) | Mouse MHC class I H-2Kd with a MERS-CoV-derived peptide 142-2 | Descriptor: | 10-mer peptide from Spike protein, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ... | Authors: | Liu, K, Chai, Y, Qi, J, Tan, W, Liu, W.J, Gao, G.F. | Deposit date: | 2016-08-17 | Release date: | 2017-06-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Protective T Cell Responses Featured by Concordant Recognition of Middle East Respiratory Syndrome Coronavirus-Derived CD8+ T Cell Epitopes and Host MHC. J. Immunol., 198, 2017
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