6W26
 
 | | Terpenoid Cyclase FgGS in Complex with Mg, Inorganic Pyrophosphate, and Imidazole | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, IMIDAZOLE, ... | | Authors: | Herbst-Gervasoni, C.J, Christianson, D.W. | | Deposit date: | 2020-03-05 | | Release date: | 2020-07-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Discovery of the cryptic function of terpene cyclases as aromatic prenyltransferases.
Nat Commun, 11, 2020
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6ISQ
 | | structure of Lipase mutant with oxided Cys-His-Asp catalytic triad | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, ISOPROPYL ALCOHOL, ... | | Authors: | Cen, Y.X, Zhou, J.H, Wu, Q. | | Deposit date: | 2018-11-18 | | Release date: | 2019-07-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Artificial cysteine-lipases with high activity and altered catalytic mechanism created by laboratory evolution.
Nat Commun, 10, 2019
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6ISR
 | | structure of lipase mutant with Cys-His-Asp catalytic triad | | Descriptor: | DI(HYDROXYETHYL)ETHER, Lipase B, NICKEL (II) ION, ... | | Authors: | Cen, Y.X, Zhou, J.H, Wu, Q. | | Deposit date: | 2018-11-18 | | Release date: | 2019-07-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Artificial cysteine-lipases with high activity and altered catalytic mechanism created by laboratory evolution.
Nat Commun, 10, 2019
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4D8D
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6ISP
 | | structure of Candida antarctica Lipase B mutant | | Descriptor: | CALCIUM ION, Lipase B, N,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDE | | Authors: | Cen, Y.X, Zhou, J.H, Wu, Q. | | Deposit date: | 2018-11-18 | | Release date: | 2019-07-24 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Artificial cysteine-lipases with high activity and altered catalytic mechanism created by laboratory evolution.
Nat Commun, 10, 2019
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3QN7
 | | Potent and selective bicyclic peptide inhibitor (UK18) of human urokinase-type plasminogen activator(uPA) | | Descriptor: | 1,3,5-tris(bromomethyl)benzene, Bicyclic peptide inhibitor, Urokinase-type plasminogen activator | | Authors: | Angelini, A, Cendron, L, Touati, J, Winter, G, Zanotti, G, Heinis, C. | | Deposit date: | 2011-02-08 | | Release date: | 2012-02-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Bicyclic peptide inhibitor reveals large contact interface with a protease target
Acs Chem.Biol., 7, 2012
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5ZCS
 | | 4.9 Angstrom Cryo-EM structure of human mTOR complex 2 | | Descriptor: | Rapamycin-insensitive companion of mTOR, Serine/threonine-protein kinase mTOR, Target of rapamycin complex 2 subunit MAPKAP1, ... | | Authors: | Chen, X, Liu, M, Tian, Y, Wang, H, Wang, J, Xu, Y. | | Deposit date: | 2018-02-20 | | Release date: | 2018-03-21 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (4.9 Å) | | Cite: | Cryo-EM structure of human mTOR complex 2.
Cell Res., 28, 2018
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3HNY
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3HOB
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7VM4
 | | Crystal structure of uPA in complex with nafamostat | | Descriptor: | 4-carbamimidamidobenzoic acid, TRIETHYLENE GLYCOL, Urokinase-type plasminogen activator | | Authors: | Jiang, L.G, Huang, M.D. | | Deposit date: | 2021-10-07 | | Release date: | 2022-10-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structural study of the uPA-nafamostat complex reveals a covalent inhibitory mechanism of nafamostat.
Biophys.J., 121, 2022
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7VM5
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7VM6
 | | Crystal structure of uPA in complex with 6-amidino-2-naphthol | | Descriptor: | 6-oxidanylnaphthalene-2-carboximidamide, SULFATE ION, TRIETHYLENE GLYCOL, ... | | Authors: | Jiang, L.G, Huang, M.D. | | Deposit date: | 2021-10-07 | | Release date: | 2022-10-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Structural study of the uPA-nafamostat complex reveals a covalent inhibitory mechanism of nafamostat.
Biophys.J., 121, 2022
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5F4H
 | | Archael RuvB-like Holiday junction helicase | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Nucleotide binding protein PINc | | Authors: | Zhai, B, DuPrez, K.T, Doukov, T.I, Shen, Y, Fan, L. | | Deposit date: | 2015-12-03 | | Release date: | 2016-12-21 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (2.699 Å) | | Cite: | Structure and Function of a Novel ATPase that Interacts with Holliday Junction Resolvase Hjc and Promotes Branch Migration.
J. Mol. Biol., 429, 2017
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5GMP
 | | Crystal structure of EGFR 696-1022 T790M in complex with XTF-262 | | Descriptor: | Epidermal growth factor receptor, N-[3-[2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide | | Authors: | Yan, X.E, Yun, C.H. | | Deposit date: | 2016-07-14 | | Release date: | 2017-06-28 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.797 Å) | | Cite: | A structure-guided optimization of pyrido[2,3-d]pyrimidin-7-ones as selective inhibitors of EGFR(L858R/T790M) mutant with improved pharmacokinetic properties.
Eur J Med Chem, 126, 2017
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7MEM
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1FO0
 | | MURINE ALLOREACTIVE SCFV TCR-PEPTIDE-MHC CLASS I MOLECULE COMPLEX | | Descriptor: | NATURALLY PROCESSED OCTAPEPTIDE PBM1, PROTEIN (ALLOGENEIC H-2KB MHC CLASS I MOLECULE), PROTEIN (BETA-2 MICROGLOBULIN), ... | | Authors: | Reiser, J.B, Darnault, C, Guimezanes, A, Gregoire, C, Mosser, T, Schmitt-Verhulst, A.-M, Fontecilla-Camps, J.C, Malissen, B, Housset, D, Mazza, G. | | Deposit date: | 2000-08-24 | | Release date: | 2000-10-02 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of a T cell receptor bound to an allogeneic MHC molecule.
Nat.Immunol., 1, 2000
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7VM7
 | | Crystal structure of inactive uPA in complex with nafamostat | | Descriptor: | (6-carbamimidoylnaphthalen-2-yl) 4-carbamimidamidobenzoate, Urokinase-type plasminogen activator chain B | | Authors: | Jiang, L.G, Huang, M.D. | | Deposit date: | 2021-10-07 | | Release date: | 2022-11-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Structural study of the uPA-nafamostat complex reveals a covalent inhibitory mechanism of nafamostat.
Biophys.J., 121, 2022
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5H7N
 | | Crystal structure of human NLRP12-PYD with a MBP tag | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NLRP12-PYD with MBP tag, ... | | Authors: | Jin, T.C, Xiao, T.S. | | Deposit date: | 2016-11-19 | | Release date: | 2017-02-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.849 Å) | | Cite: | Design of an expression system to enhance MBP-mediated crystallization
Sci Rep, 7, 2017
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5GH9
 | | Crystal structure of CBP Bromodomain with H3K56ac peptide | | Descriptor: | CREB-binding protein, Histone H3 | | Authors: | Xu, L. | | Deposit date: | 2016-06-19 | | Release date: | 2017-06-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.451 Å) | | Cite: | Structural insight into CBP bromodomain-mediated recognition of acetylated histone H3K56ac
FEBS J., 2017
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5HGG
 | | Crystal structure of uPA in complex with a camelid-derived antibody fragment | | Descriptor: | (3S)-3-[(2S,3S,4R)-3,4-DIMETHYLTETRAHYDROFURAN-2-YL]BUTYL LAURATE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Camelid Derived Antibody Fragment, ... | | Authors: | Yung, K.W.Y, Kromann-Hansen, T, Andreasen, P.A, Ngo, J.C.K. | | Deposit date: | 2016-01-08 | | Release date: | 2016-06-01 | | Last modified: | 2016-08-10 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | A Camelid-derived Antibody Fragment Targeting the Active Site of a Serine Protease Balances between Inhibitor and Substrate Behavior
J.Biol.Chem., 291, 2016
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5H7Q
 | | Crystal structure of human MNDA PYD domain with MBP tag | | Descriptor: | ACETATE ION, MNDA PYD domain with MBP tag, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Jin, T.C, Xiao, T.S. | | Deposit date: | 2016-11-20 | | Release date: | 2017-02-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.451 Å) | | Cite: | Design of an expression system to enhance MBP-mediated crystallization
Sci Rep, 7, 2017
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5HDO
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4GH6
 | | Crystal structure of the PDE9A catalytic domain in complex with inhibitor 28 | | Descriptor: | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, N-(4-methoxyphenyl)-N~2~-[1-(2-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]-L-alaninamide, ... | | Authors: | Hou, J, Ke, H. | | Deposit date: | 2012-08-07 | | Release date: | 2012-10-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure-Based Discovery of Highly Selective Phosphodiesterase-9A Inhibitors and Implications for Inhibitor Design.
J.Med.Chem., 55, 2012
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3TDL
 | | Structure of human serum albumin in complex with DAUDA | | Descriptor: | 11-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)undecanoic acid, MYRISTIC ACID, Serum albumin | | Authors: | Wang, Y, Luo, Z, Shi, X, Wang, H, Nie, L. | | Deposit date: | 2011-08-11 | | Release date: | 2012-06-27 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A fluorescent fatty acid probe, DAUDA, selectively displaces two myristates bound in human serum albumin
Protein Sci., 20, 2011
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1G6R
 | | A FUNCTIONAL HOT SPOT FOR ANTIGEN RECOGNITION IN A SUPERAGONIST TCR/MHC COMPLEX | | Descriptor: | ALPHA T CELL RECEPTOR, BETA T CELL RECEPTOR, BETA-2 MICROGLOBULIN, ... | | Authors: | Degano, M, Garcia, K.C, Apostolopoulos, V, Rudolph, M.G, Teyton, L, Wilson, I.A. | | Deposit date: | 2000-11-07 | | Release date: | 2000-11-15 | | Last modified: | 2018-01-31 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | A functional hot spot for antigen recognition in a superagonist TCR/MHC complex.
Immunity, 12, 2000
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