1EDY
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6V4T
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![BU of 6v4t by Molmil](/molmil-images/mine/6v4t) | MPER-TMD of HIV-1 Env bound with the entry inhibitor S2C3 | Descriptor: | 4,4'-(decane-1,10-diyl)bis(9-amino-2,3-dihydro-1H-cyclopenta[b]quinolin-4-ium), Envelope glycoprotein gp160 | Authors: | Xiao, T, Frey, G, Fu, Q, Lavine, C.L, Scott, D.A, Seaman, M.S, Chou, J.J, Chen, B. | Deposit date: | 2019-11-30 | Release date: | 2020-04-01 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | HIV-1 fusion inhibitors targeting the membrane-proximal external region of Env spikes. Nat.Chem.Biol., 16, 2020
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6BZ9
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![BU of 6bz9 by Molmil](/molmil-images/mine/6bz9) | Crystal structure of human caspase-1 in complex with Ac-FLTD-CMK | Descriptor: | Ac-FLTD-CMK, Caspase-1, DI(HYDROXYETHYL)ETHER | Authors: | Xiao, T.S, Yang, J, Liu, Z, Wang, C, Yang, R. | Deposit date: | 2017-12-22 | Release date: | 2018-06-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.796 Å) | Cite: | Mechanism of gasdermin D recognition by inflammatory caspases and their inhibition by a gasdermin D-derived peptide inhibitor. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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1D2Z
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![BU of 1d2z by Molmil](/molmil-images/mine/1d2z) | THREE-DIMENSIONAL STRUCTURE OF A COMPLEX BETWEEN THE DEATH DOMAINS OF PELLE AND TUBE | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DEATH DOMAIN OF PELLE, DEATH DOMAIN OF TUBE | Authors: | Xiao, T, Towb, P, Wasserman, S.A, Sprang, S.R. | Deposit date: | 1999-09-28 | Release date: | 1999-11-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Three-dimensional structure of a complex between the death domains of Pelle and Tube. Cell(Cambridge,Mass.), 99, 1999
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1IK7
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![BU of 1ik7 by Molmil](/molmil-images/mine/1ik7) | Crystal Structure of the Uncomplexed Pelle Death Domain | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PROBABLE SERINE/THREONINE-PROTEIN KINASE Pelle | Authors: | Xiao, T, Gardner, K.H, Sprang, S.R. | Deposit date: | 2001-05-02 | Release date: | 2002-07-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Cosolvent-induced transformation
of a death domain tertiary structure Proc.Natl.Acad.Sci.USA, 99, 2002
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5GSF
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![BU of 5gsf by Molmil](/molmil-images/mine/5gsf) | Structure of roseltide rT1 | Descriptor: | roseltide rT1 | Authors: | Xiao, T, Tam, J.P. | Deposit date: | 2016-08-16 | Release date: | 2017-01-25 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Identification and Characterization of Roseltide, a Knottin-type Neutrophil Elastase Inhibitor Derived from Hibiscus sabdariffa. Sci Rep, 6, 2016
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1TYE
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![BU of 1tye by Molmil](/molmil-images/mine/1tye) | Structural basis for allostery in integrins and binding of ligand-mimetic therapeutics to the platelet receptor for fibrinogen | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CACODYLATE ION, CALCIUM ION, ... | Authors: | Xiao, T, Takagi, J, Coller, B.S, Wang, J.-H, Springer, T.A. | Deposit date: | 2004-07-07 | Release date: | 2004-10-12 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis for allostery in integrins and binding to fibrinogen-mimetic therapeutics Nature, 432, 2004
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2FTP
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![BU of 2ftp by Molmil](/molmil-images/mine/2ftp) | Crystal Structure of hydroxymethylglutaryl-CoA lyase from Pseudomonas aeruginosa | Descriptor: | GLYCEROL, SODIUM ION, hydroxymethylglutaryl-CoA lyase | Authors: | Xiao, T, Evdokimova, E, Liu, Y, Kudritska, M, Savchenko, A, Pai, E.F, Edwards, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2006-01-24 | Release date: | 2006-03-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of hydroxymethylglutaryl-CoA lyase from Pseudomonas aeruginosa To be Published
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5WUZ
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![BU of 5wuz by Molmil](/molmil-images/mine/5wuz) | Morintides mO1 | Descriptor: | Morintide mO1 | Authors: | Xiao, T, Tam, J.P. | Deposit date: | 2016-12-21 | Release date: | 2017-01-25 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Morintides: 8C-Hevein-like peptides without a protein cargo from the drumstick tree Moringa oleifera To Be Published
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5XBD
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5XDI
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5H1H
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![BU of 5h1h by Molmil](/molmil-images/mine/5h1h) | NMR structure of SLBA, a chimera of SFTI | Descriptor: | Bradykinin-trypsin inhibitor secondary loop chimera | Authors: | Xiao, T, Tam, J.P. | Deposit date: | 2016-10-10 | Release date: | 2017-04-19 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | An Orally Active Bradykinin B1 Receptor Antagonist Engineered as a Bifunctional Chimera of Sunflower Trypsin Inhibitor. J. Med. Chem., 60, 2017
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5H1I
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![BU of 5h1i by Molmil](/molmil-images/mine/5h1i) | NMR structure of TIBA, a chimera of SFTI | Descriptor: | Bradykinin-trypsin inhibitor secondary loop chimera | Authors: | Xiao, T, Tam, J.P. | Deposit date: | 2016-10-10 | Release date: | 2017-04-19 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | An Orally Active Bradykinin B1 Receptor Antagonist Engineered as a Bifunctional Chimera of Sunflower Trypsin Inhibitor. J. Med. Chem., 60, 2017
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7F24
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7F0T
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7F23
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7F1O
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7F1Z
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6XR8
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![BU of 6xr8 by Molmil](/molmil-images/mine/6xr8) | Distinct conformational states of SARS-CoV-2 spike protein | Descriptor: | 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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, J, Cai, Y.F, Xiao, T.S, Peng, H.Q, Sterling, S.M, Walsh Jr, R.M, Rawson, S, Volloch, S.R, Chen, B. | Deposit date: | 2020-07-11 | Release date: | 2020-07-22 | Last modified: | 2020-11-25 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Distinct conformational states of SARS-CoV-2 spike protein. Science, 369, 2020
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5WQ6
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![BU of 5wq6 by Molmil](/molmil-images/mine/5wq6) | Crystal Structure of hMNDA-PYD with MBP tag | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, MBP tagged hMNDA-PYD, ... | Authors: | Jin, T.C, Xiao, T.S. | Deposit date: | 2016-11-23 | Release date: | 2017-02-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.648 Å) | Cite: | Design of an expression system to enhance MBP-mediated crystallization Sci Rep, 7, 2017
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1MQA
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![BU of 1mqa by Molmil](/molmil-images/mine/1mqa) | Crystal structure of high affinity alphaL I domain in the absence of ligand or metal | Descriptor: | Integrin alpha-L | Authors: | Shimaoka, T, Xiao, T, Liu, J.-H, Yang, Y, Dong, Y, Jun, C.-D, Zhang, R, Takagi, J, Wang, J.-H, Springer, T.A. | Deposit date: | 2002-09-15 | Release date: | 2003-01-14 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures of the aL I domain and its complex with ICAM-1 reveal a shape-shifting pathway for integrin regulation Cell(Cambridge,Mass.), 112, 2003
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1MQ9
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![BU of 1mq9 by Molmil](/molmil-images/mine/1mq9) | Crystal structure of high affinity alphaL I domain with ligand mimetic crystal contact | Descriptor: | Integrin alpha-L, MANGANESE (II) ION | Authors: | Shimaoka, M, Xiao, T, Liu, J.-H, Yang, Y, Dong, Y, Jun, C.-D, McCormack, A, Zhang, R, Joachimiak, A, Takagi, J, Wang, J.-H, Springer, T.A. | Deposit date: | 2002-09-15 | Release date: | 2003-01-14 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of the aL I domain and its complex with ICAM-1 reveal a shape-shifting pathway for integrin regulation Cell(Cambridge,Mass.), 112, 2003
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3VD8
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![BU of 3vd8 by Molmil](/molmil-images/mine/3vd8) | Crystal structure of human AIM2 PYD domain with MBP fusion | Descriptor: | 1,2-ETHANEDIOL, Maltose-binding periplasmic protein, Interferon-inducible protein AIM2, ... | Authors: | Jin, T.C, Perry, A, Smith, P, Xiao, T.S. | Deposit date: | 2012-01-04 | Release date: | 2013-01-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.0685 Å) | Cite: | Structure of the Absent in Melanoma 2 (AIM2) Pyrin Domain Provides Insights into the Mechanisms of AIM2 Autoinhibition and Inflammasome Assembly. J.Biol.Chem., 288, 2013
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7N1W
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![BU of 7n1w by Molmil](/molmil-images/mine/7n1w) | Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants | Descriptor: | 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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, J, Cai, Y.F, Xiao, T.S, Rawson, S, Peng, H.Q, Sterling, S.M, Walsh Jr, R.M, Volloch, S.R, Chen, B. | Deposit date: | 2021-05-28 | Release date: | 2021-07-07 | Last modified: | 2021-08-18 | Method: | ELECTRON MICROSCOPY (3.33 Å) | Cite: | Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants. Science, 373, 2021
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7N1Y
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![BU of 7n1y by Molmil](/molmil-images/mine/7n1y) | Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants | Descriptor: | 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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, J, Cai, Y.F, Xiao, T.S, Rawson, S, Peng, H.Q, Sterling, S.M, Walsh Jr, R.M, Volloch, S.R, Chen, B. | Deposit date: | 2021-05-28 | Release date: | 2021-07-07 | Last modified: | 2021-08-18 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants. Science, 373, 2021
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