6XN2
 
 | | Crystal structure of the GH43_1 enzyme from Xanthomonas citri complexed with xylotriose | | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Morais, M.A.B, Tonoli, C.C.C, Santos, C.R, Murakami, M.T. | | Deposit date: | 2020-07-02 | | Release date: | 2020-12-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.652 Å) | | Cite: | Two distinct catalytic pathways for GH43 xylanolytic enzymes unveiled by X-ray and QM/MM simulations.
Nat Commun, 12, 2021
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8DAT
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8DAS
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6PRZ
 | | XFEL beta2 AR structure by ligand exchange from Alprenolol to Alprenolol. | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol, CHOLESTEROL, ... | | Authors: | Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C. | | Deposit date: | 2019-07-12 | | Release date: | 2019-11-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Toward G protein-coupled receptor structure-based drug design using X-ray lasers.
Iucrj, 6, 2019
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6OYU
 | | Structure of an ancestral-reconstructed cytochrome P450 1B1 with alpha-naphthoflavone | | Descriptor: | 2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE, Cytochrome P450 1B1, GLYCEROL, ... | | Authors: | Bart, A.G, Harris, K.L, Scott, E.E. | | Deposit date: | 2019-05-15 | | Release date: | 2020-03-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structure of an ancestral mammalian family 1B1 cytochrome P450 with increased thermostability.
J.Biol.Chem., 295, 2020
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6P4A
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6XGV
 | | Crystal Structure of KRAS-G13D (GMPPNP-bound) in complex with RAS-binding domain (RBD) and cysteine-rich domain (CRD) of RAF1/CRAF | | Descriptor: | CHLORIDE ION, GLYCEROL, GTPase KRas, ... | | Authors: | Tran, T.H, Chan, A.H, Dharmaiah, S, Simanshu, D.K. | | Deposit date: | 2020-06-18 | | Release date: | 2021-01-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | KRAS interaction with RAF1 RAS-binding domain and cysteine-rich domain provides insights into RAS-mediated RAF activation.
Nat Commun, 12, 2021
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6XHB
 | | Crystal Structure of wild-type KRAS (GMPPNP-bound) in complex with RAS-binding domain (RBD) and cysteine-rich domain (CRD) of RAF1/CRAF (crystal form II) | | Descriptor: | CHLORIDE ION, GLYCEROL, GTPase KRas, ... | | Authors: | Tran, T.H, Chan, A.H, Dharmaiah, S, Simanshu, D.K. | | Deposit date: | 2020-06-18 | | Release date: | 2021-01-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | KRAS interaction with RAF1 RAS-binding domain and cysteine-rich domain provides insights into RAS-mediated RAF activation.
Nat Commun, 12, 2021
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2WC0
 | | crystal structure of human insulin degrading enzyme in complex with iodinated insulin | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, INSULIN A CHAIN, INSULIN B CHAIN, ... | | Authors: | Manolopoulou, M, Guo, Q, Malito, E, Schilling, A.B, Tang, W.J. | | Deposit date: | 2009-03-06 | | Release date: | 2009-03-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Molecular Basis of Catalytic Chamber-Assisted Unfolding and Cleavage of Human Insulin by Human Insulin Degrading Enzyme.
J.Biol.Chem., 284, 2009
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6Y3V
 | | 14-3-3 Sigma in complex with phosphorylated c-Jun peptide | | Descriptor: | 14-3-3 protein sigma, CALCIUM ION, MAGNESIUM ION, ... | | Authors: | Ballone, A, Lau, R.A, Zweipfenning, F.P.A, Ottmann, C. | | Deposit date: | 2020-02-19 | | Release date: | 2020-10-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.499 Å) | | Cite: | A new soaking procedure for X-ray crystallographic structural determination of protein-peptide complexes.
Acta Crystallogr.,Sect.F, 76, 2020
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6Y44
 | | 14-3-3 Sigma in complex with phosphorylated SOS1 peptide | | Descriptor: | 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Ballone, A, Lau, R.A, Zweipfenning, F.P.A, Ottmann, C. | | Deposit date: | 2020-02-19 | | Release date: | 2020-10-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | A new soaking procedure for X-ray crystallographic structural determination of protein-peptide complexes.
Acta Crystallogr.,Sect.F, 76, 2020
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6Y7W
 | | Fragment KCL_1337 in complex with MAP kinase p38-alpha | | Descriptor: | (2~{R})-~{N}-[(2-azanyl-2-adamantyl)methyl]-4-[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridin-3-yl]sulfonyl-2-methyl-morpholine-2-carboxamide, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, CALCIUM ION, ... | | Authors: | De Nicola, G.F, Nichols, C.E. | | Deposit date: | 2020-03-02 | | Release date: | 2020-03-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
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6YCU
 | | Fragment KCL_K777 in complex with MAP kinase p38-alpha | | Descriptor: | 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, 4-[2,5-bis(oxidanylidene)pyrrol-1-yl]-~{N}-propyl-benzenesulfonamide, CALCIUM ION, ... | | Authors: | De Nicola, G.F, Nichols, C.E. | | Deposit date: | 2020-03-19 | | Release date: | 2020-04-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
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6P5K
 | | Structure of a mammalian 80S ribosome in complex with the Israeli Acute Paralysis Virus IRES (Class 3) | | Descriptor: | 18S rRNA, 28S rRNA, 5.8S rRNA, ... | | Authors: | Acosta-Reyes, F.J, Neupane, R, Frank, J, Fernandez, I.S. | | Deposit date: | 2019-05-30 | | Release date: | 2019-09-18 | | Last modified: | 2020-01-08 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | The Israeli acute paralysis virus IRES captures host ribosomes by mimicking a ribosomal state with hybrid tRNAs.
Embo J., 38, 2019
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3WL1
 | | Crystal structure of Ostrinia furnacalis Group I chitinase catalytic domain in complex with reaction products (GlcNAc)2,3 | | 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)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Chen, L, Liu, T, Zhou, Y, Chen, Q, Shen, X, Yang, Q. | | Deposit date: | 2013-11-05 | | Release date: | 2014-04-09 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.772 Å) | | Cite: | Structural characteristics of an insect group I chitinase, an enzyme indispensable to moulting.
Acta Crystallogr.,Sect.D, 70, 2014
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6PCX
 | | Crystal Structure of a H5N1 influenza virus hemagglutinin at pH 6.0 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hemagglutinin, ... | | Authors: | Antanasijevic, A, Durst, M.A, Lavie, A, Caffrey, M. | | Deposit date: | 2019-06-18 | | Release date: | 2019-11-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Identification of a pH sensor in Influenza hemagglutinin using X-ray crystallography.
J.Struct.Biol., 209, 2020
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6GYG
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6PHY
 | | SpAga D472N structure in complex alpha 1,3 galactobiose | | Descriptor: | 1,2-ETHANEDIOL, Alpha-galactosidase, L(+)-TARTARIC ACID, ... | | Authors: | Pluvinage, B, Boraston, A.B. | | Deposit date: | 2019-06-25 | | Release date: | 2019-10-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Molecular analysis of an enigmaticStreptococcus pneumoniaevirulence factor: The raffinose-family oligosaccharide utilization system.
J.Biol.Chem., 294, 2019
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6XTX
 | | CryoEM structure of human CMG bound to ATPgammaS and DNA | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Cell division control protein 45 homolog, DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), ... | | Authors: | Rzechorzek, N.J, Pellegrini, L. | | Deposit date: | 2020-01-16 | | Release date: | 2020-05-27 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.29 Å) | | Cite: | CryoEM structures of human CMG-ATP gamma S-DNA and CMG-AND-1 complexes.
Nucleic Acids Res., 48, 2020
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3D29
 | | Proteasome Inhibition by Fellutamide B | | Descriptor: | (3R)-3-HYDROXYDODECANOIC ACID, Fellutamide B, PRE10 isoform 1, ... | | Authors: | Groll, M, Hines, J, Fahnestock, M, Crews, M.C. | | Deposit date: | 2008-05-07 | | Release date: | 2008-06-10 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Proteasome Inhibition by Fellutamide B Induces Nerve Growth Factor Synthesis
Chem.Biol., 15, 2008
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6PNR
 | | A GH31 family sulfoquinovosidase from E. rectale in complex with aza-sugar inhibitor IFGSQ | | Descriptor: | Alpha-glucosidase, SULFATE ION, [(3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)piperidin-3-yl]methanesulfonic acid | | Authors: | Jarva, M.A, Lingford, J.P, John, A, Goddard-Borger, E.D. | | Deposit date: | 2019-07-03 | | Release date: | 2020-07-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A GH31 family sulfoquinovosidase from E. rectale in complex with aza-sugar inhibitor IFGSQ
To Be Published
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6PHW
 | | SpAga D472N structure in complex with melibiose | | Descriptor: | 1,2-ETHANEDIOL, Alpha-galactosidase, L(+)-TARTARIC ACID, ... | | Authors: | Pluvinage, B, Boraston, A.B. | | Deposit date: | 2019-06-25 | | Release date: | 2019-10-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Molecular analysis of an enigmaticStreptococcus pneumoniaevirulence factor: The raffinose-family oligosaccharide utilization system.
J.Biol.Chem., 294, 2019
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6XBW
 | | Cryo-EM structure of V-ATPase from bovine brain, state 1 | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Wang, R, Li, X. | | Deposit date: | 2020-06-07 | | Release date: | 2020-08-19 | | Method: | ELECTRON MICROSCOPY (3.37 Å) | | Cite: | Cryo-EM structures of intact V-ATPase from bovine brain.
Nat Commun, 11, 2020
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6PRR
 | | The crystal structure of 3-methylaminobenzoate-bound CYP199A4 | | Descriptor: | 3-(methylamino)benzoic acid, CHLORIDE ION, Cytochrome P450, ... | | Authors: | Podgorski, M.N, Bruning, J.B, Bell, S.G. | | Deposit date: | 2019-07-11 | | Release date: | 2019-11-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Investigation of the requirements for efficient and selective cytochrome P450 monooxygenase catalysis across different reactions.
J.Inorg.Biochem., 203, 2019
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6PS1
 | | XFEL beta2 AR structure by ligand exchange from Alprenolol to Timolol. | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol, CHOLESTEROL, ... | | Authors: | Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C. | | Deposit date: | 2019-07-12 | | Release date: | 2019-11-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Toward G protein-coupled receptor structure-based drug design using X-ray lasers.
Iucrj, 6, 2019
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