7CYD
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![BU of 7cyd by Molmil](/molmil-images/mine/7cyd) | Cryo-EM structures of Alphacoronavirus spike glycoprotein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Song, X, Shi, Y, Ding, W, Liu, Z.J, Peng, G. | Deposit date: | 2020-09-03 | Release date: | 2020-12-23 | Last modified: | 2021-06-02 | Method: | ELECTRON MICROSCOPY (3.55 Å) | Cite: | Cryo-EM analysis of the HCoV-229E spike glycoprotein reveals dynamic prefusion conformational changes. Nat Commun, 12, 2021
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3T7I
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![BU of 3t7i by Molmil](/molmil-images/mine/3t7i) | Crystal structure of Se-Met Rtt107p (residues 820-1070) | Descriptor: | Regulator of Ty1 transposition protein 107 | Authors: | Li, X, Li, F, Wu, J, Shi, Y. | Deposit date: | 2011-07-30 | Release date: | 2012-02-15 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of C-terminal Tandem BRCT Repeats of Rtt107 Protein Reveals Critical Role in Interaction with Phosphorylated Histone H2A during DNA Damage Repair J.Biol.Chem., 287, 2012
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3U83
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![BU of 3u83 by Molmil](/molmil-images/mine/3u83) | Crystal structure of nectin-1 | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, Poliovirus receptor-related protein 1 | Authors: | Zhang, N, Yan, J, Lu, G, Guo, Z, Fan, Z, Wang, J, Shi, Y, Qi, J, Gao, G.F. | Deposit date: | 2011-10-15 | Release date: | 2012-03-21 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.499 Å) | Cite: | Binding of herpes simplex virus glycoprotein D to nectin-1 exploits host cell adhesion. Nat Commun, 2, 2011
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3U82
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![BU of 3u82 by Molmil](/molmil-images/mine/3u82) | Binding of herpes simplex virus glycoprotein D to nectin-1 exploits host cell adhesion | Descriptor: | Envelope glycoprotein D, Poliovirus receptor-related protein 1 | Authors: | Zhang, N, Yan, J, Lu, G, Guo, Z, Fan, Z, Wang, J, Shi, Y, Qi, J, Gao, G.F. | Deposit date: | 2011-10-15 | Release date: | 2012-03-21 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.164 Å) | Cite: | Binding of herpes simplex virus glycoprotein D to nectin-1 exploits host cell adhesion. Nat Commun, 2, 2011
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4JTV
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![BU of 4jtv by Molmil](/molmil-images/mine/4jtv) | Crystal structure of 2009 pandemic influenza virus hemagglutinin complexed with human receptor analogue LSTc | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ... | Authors: | Zhang, W, Shi, Y, Qi, J, Gao, F, Li, Q, Fan, Z, Yan, J, Gao, G.F. | Deposit date: | 2013-03-24 | Release date: | 2013-05-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.997 Å) | Cite: | Molecular basis of the receptor binding specificity switch of the hemagglutinins from both the 1918 and 2009 pandemic influenza A viruses by a D225G substitution J.Virol., 87, 2013
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4LNR
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![BU of 4lnr by Molmil](/molmil-images/mine/4lnr) | The structure of HLA-B*35:01 in complex with the peptide (RPQVPLRPMTY) | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-35 alpha chain, ... | Authors: | Cheng, H, Shi, Y, Qi, J, Gao, G.F. | Deposit date: | 2013-07-12 | Release date: | 2014-07-23 | Last modified: | 2019-12-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Peptide-dependent conformational fluctuation determines the stability of the human leukocyte antigen class I complex. J.Biol.Chem., 289, 2014
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4LL9
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![BU of 4ll9 by Molmil](/molmil-images/mine/4ll9) | Crystal structure of D3D4 domain of the LILRB1 molecule | Descriptor: | IODIDE ION, Leukocyte immunoglobulin-like receptor subfamily B member 1 | Authors: | Nam, G, Shi, Y, Ryu, M, Wang, Q, Song, H, Liu, J, Yan, J, Qi, J, Gao, G.F. | Deposit date: | 2013-07-09 | Release date: | 2013-09-11 | Last modified: | 2013-11-06 | Method: | X-RAY DIFFRACTION (2.686 Å) | Cite: | Crystal structures of the two membrane-proximal Ig-like domains (D3D4) of LILRB1/B2: alternative models for their involvement in peptide-HLA binding Protein Cell, 4, 2013
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4M69
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![BU of 4m69 by Molmil](/molmil-images/mine/4m69) | Crystal structure of the mouse RIP3-MLKL complex | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Mixed lineage kinase domain-like protein, ... | Authors: | Xie, T, Peng, W, Yan, C, Wu, J, Shi, Y. | Deposit date: | 2013-08-09 | Release date: | 2013-10-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.497 Å) | Cite: | Structural Insights into RIP3-Mediated Necroptotic Signaling Cell Rep, 5, 2013
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4M68
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![BU of 4m68 by Molmil](/molmil-images/mine/4m68) | Crystal structure of the mouse MLKL kinase-like domain | Descriptor: | GLYCEROL, Mixed lineage kinase domain-like protein | Authors: | Xie, T, Peng, W, Yan, C, Wu, J, Shi, Y. | Deposit date: | 2013-08-09 | Release date: | 2013-10-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.696 Å) | Cite: | Structural Insights into RIP3-Mediated Necroptotic Signaling Cell Rep, 5, 2013
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4M66
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![BU of 4m66 by Molmil](/molmil-images/mine/4m66) | Crystal structure of the mouse RIP3 kinase domain | Descriptor: | Receptor-interacting serine/threonine-protein kinase 3 | Authors: | Xie, T, Peng, W, Yan, C, Wu, J, Shi, Y. | Deposit date: | 2013-08-09 | Release date: | 2013-10-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.401 Å) | Cite: | Structural Insights into RIP3-Mediated Necroptotic Signaling Cell Rep, 5, 2013
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4LLA
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![BU of 4lla by Molmil](/molmil-images/mine/4lla) | Crystal structure of D3D4 domain of the LILRB2 molecule | Descriptor: | Leukocyte immunoglobulin-like receptor subfamily B member 2 | Authors: | Nam, G, Shi, Y, Ryu, M, Wang, Q, Song, H, Liu, J, Yan, J, Qi, J, Gao, G.F. | Deposit date: | 2013-07-09 | Release date: | 2013-09-11 | Last modified: | 2013-11-06 | Method: | X-RAY DIFFRACTION (2.502 Å) | Cite: | Crystal structures of the two membrane-proximal Ig-like domains (D3D4) of LILRB1/B2: alternative models for their involvement in peptide-HLA binding Protein Cell, 4, 2013
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4KMP
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![BU of 4kmp by Molmil](/molmil-images/mine/4kmp) | Structure of XIAP-BIR3 and inhibitor | Descriptor: | (2S,2'S)-N,N'-[(6,6'-difluoro-1H,1'H-2,2'-biindole-3,3'-diyl)bis{methanediyl[(2R,4S)-4-hydroxypyrrolidine-2,1-diyl][(2S)-1-oxobutane-1,2-diyl]}]bis[2-(methylamino)propanamide], E3 ubiquitin-protein ligase XIAP, ZINC ION | Authors: | Li, X, Wang, J, Condon, S.M, Shi, Y. | Deposit date: | 2013-05-08 | Release date: | 2014-05-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure of XIAP-BIR3 and inhibitor To be Published
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4M67
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![BU of 4m67 by Molmil](/molmil-images/mine/4m67) | Crystal structure of the human MLKL kinase-like domain | Descriptor: | Mixed lineage kinase domain-like protein | Authors: | Xie, T, Peng, W, Yan, C, Wu, J, Shi, Y. | Deposit date: | 2013-08-09 | Release date: | 2013-10-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Insights into RIP3-Mediated Necroptotic Signaling Cell Rep, 5, 2013
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4KMN
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![BU of 4kmn by Molmil](/molmil-images/mine/4kmn) | Structure of cIAP1-BIR3 and inhibitor | Descriptor: | (2S)-N-{(2R)-1-[(2R,4S)-2-{[6,6'-difluoro-3'-({(2R,4S)-4-hydroxy-1-[(2S)-2-{[(2S)-2-(methylamino)propanoyl]amino}butanoyl]pyrrolidin-2-yl}methyl)-1H,1'H-2,2'-biindol-3-yl]methyl}-4-hydroxypyrrolidin-1-yl]-1-oxobutan-2-yl}-2-(methylamino)propanamide, Baculoviral IAP repeat-containing protein 2, PHOSPHATE ION, ... | Authors: | Li, X, Wang, J, Condon, S.M, Shi, Y. | Deposit date: | 2013-05-08 | Release date: | 2014-05-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.523 Å) | Cite: | Structure of cIAP1-BIR3 and inhibitor To be Published
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4O2C
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![BU of 4o2c by Molmil](/molmil-images/mine/4o2c) | An Nt-acetylated peptide complexed with HLA-B*3901 | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-39 alpha chain, ... | Authors: | Sun, M, Liu, J, Qi, J, Tefsen, B, Shi, Y, Yan, J, Gao, G.F. | Deposit date: | 2013-12-17 | Release date: | 2014-07-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.802 Å) | Cite: | N alpha-terminal acetylation for T cell recognition: molecular basis of MHC class I-restricted n alpha-acetylpeptide presentation J.Immunol., 192, 2014
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6KZ1
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![BU of 6kz1 by Molmil](/molmil-images/mine/6kz1) | Complex structure of Whirlin and Myosin XVa | Descriptor: | Myosin XVa, Whirlin | Authors: | Lin, L, Wang, M, Shi, Y, Zhu, J, Zhang, R. | Deposit date: | 2019-09-22 | Release date: | 2020-09-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.694 Å) | Cite: | Phase separation-mediated condensation of Whirlin-Myo15-Eps8 stereocilia tip complex. Cell Rep, 34, 2021
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8HIT
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![BU of 8hit by Molmil](/molmil-images/mine/8hit) | Crystal structure of anti-CTLA-4 humanized IgG1 MAb--JS007 in complex with human CTLA-4 | Descriptor: | Cytotoxic T-lymphocyte protein 4, JS007-VH, JS007-VL | Authors: | Tan, S, Shi, Y, Wang, Q, Gao, G.F, Guan, J, Chai, Y, Qi, J. | Deposit date: | 2022-11-21 | Release date: | 2023-02-01 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Characterization of the high-affinity anti-CTLA-4 monoclonal antibody JS007 for immune checkpoint therapy of cancer. Mabs, 15, 2023
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1F0K
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![BU of 1f0k by Molmil](/molmil-images/mine/1f0k) | THE 1.9 ANGSTROM CRYSTAL STRUCTURE OF E. COLI MURG | Descriptor: | SULFATE ION, UDP-N-ACETYLGLUCOSAMINE-N-ACETYLMURAMYL-(PENTAPEPTIDE) PYROPHOSPHORYL-UNDECAPRENOL N-ACETYLGLUCOSAMINE TRANSFERASE | Authors: | Ha, S, Walker, D, Shi, Y, Walker, S. | Deposit date: | 2000-05-16 | Release date: | 2000-07-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The 1.9 A crystal structure of Escherichia coli MurG, a membrane-associated glycosyltransferase involved in peptidoglycan biosynthesis. Protein Sci., 9, 2000
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6LR4
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![BU of 6lr4 by Molmil](/molmil-images/mine/6lr4) | Molecular basis for inhibition of human gamma-secretase by small molecule | Descriptor: | (2S)-2-hydroxy-3-methyl-N-[(2S)-1-[[(5S)-3-methyl-4-oxo-2,5-dihydro-1H-3-benzazepin-5-yl]amino]-1-oxopropan-2-yl]butanamide, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Yang, G, Zhou, R, Guo, X, Lei, J, Shi, Y. | Deposit date: | 2020-01-15 | Release date: | 2021-01-27 | Last modified: | 2021-02-03 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis of gamma-secretase inhibition and modulation by small molecule drugs. Cell, 184, 2021
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2JXW
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![BU of 2jxw by Molmil](/molmil-images/mine/2jxw) | |
1FEW
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![BU of 1few by Molmil](/molmil-images/mine/1few) | CRYSTAL STRUCTURE OF SMAC/DIABLO | Descriptor: | SECOND MITOCHONDRIA-DERIVED ACTIVATOR OF CASPASES | Authors: | Chai, J, Shi, Y. | Deposit date: | 2000-07-23 | Release date: | 2000-09-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and biochemical basis of apoptotic activation by Smac/DIABLO. Nature, 406, 2000
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6LQG
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![BU of 6lqg by Molmil](/molmil-images/mine/6lqg) | Human gamma-secretase in complex with small molecule Avagacestat | Descriptor: | (2R)-2-[(4-chlorophenyl)sulfonyl-[[2-fluoranyl-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-tris(fluoranyl)pentanamide, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Yang, G, Zhou, R, Guo, X, Lei, J, Shi, Y. | Deposit date: | 2020-01-13 | Release date: | 2021-01-27 | Last modified: | 2021-02-03 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis of gamma-secretase inhibition and modulation by small molecule drugs. Cell, 184, 2021
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6O0W
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![BU of 6o0w by Molmil](/molmil-images/mine/6o0w) | Crystal structure of the TIR domain from the grapevine disease resistance protein RUN1 in complex with NADP+ and Bis-Tris | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-2'-5'-DIPHOSPHATE, TIR-NB-LRR type resistance protein RUN1 | Authors: | Horsefield, S, Burdett, H, Zhang, X, Manik, M.K, Shi, Y, Chen, J, Tiancong, Q, Gilley, J, Lai, J, Gu, W, Rank, M, Casey, L, Ericsson, D.J, Foley, G, Hughes, R.O, Bosanac, T, von Itzstein, M, Rathjen, J.P, Nanson, J.D, Boden, M, Dry, I.B, Williams, S.J, Staskawicz, B.J, Coleman, M.P, Ve, T, Dodds, P.N, Kobe, B. | Deposit date: | 2019-02-17 | Release date: | 2019-09-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | NAD+cleavage activity by animal and plant TIR domains in cell death pathways. Science, 365, 2019
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1G73
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![BU of 1g73 by Molmil](/molmil-images/mine/1g73) | CRYSTAL STRUCTURE OF SMAC BOUND TO XIAP-BIR3 DOMAIN | Descriptor: | INHIBITORS OF APOPTOSIS-LIKE PROTEIN ILP, SECOND MITOCHONDRIA-DERIVED ACTIVATOR OF CASPASES, ZINC ION | Authors: | Wu, G, Chai, J, Suber, T.L, Wu, J.-W, Shi, Y. | Deposit date: | 2000-11-08 | Release date: | 2001-01-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis of IAP recognition by Smac/DIABLO. Nature, 408, 2000
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6O0V
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![BU of 6o0v by Molmil](/molmil-images/mine/6o0v) | Crystal structure of the TIR domain G601P mutant from human SARM1, crystal form 2 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Sterile alpha and TIR motif-containing protein 1 | Authors: | Horsefield, S, Burdett, H, Zhang, X, Manik, M.K, Shi, Y, Chen, J, Tiancong, Q, Gilley, J, Lai, J, Gu, W, Rank, M, Casey, L, Ericsson, D.J, Foley, G, Hughes, R.O, Bosanac, T, von Itzstein, M, Rathjen, J.P, Nanson, J.D, Boden, M, Dry, I.B, Williams, S.J, Staskawicz, B.J, Coleman, M.P, Ve, T, Dodds, P.N, Kobe, B. | Deposit date: | 2019-02-17 | Release date: | 2019-09-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | NAD+cleavage activity by animal and plant TIR domains in cell death pathways. Science, 365, 2019
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