7JYY
 
 | | Crystal Structure of SARS-CoV-2 Nsp16/10 Heterodimer in Complex with (m7GpppA)pUpUpApApA (Cap-0) and S-Adenosylmethionine (SAM). | | Descriptor: | 2'-O-methyltransferase, CHLORIDE ION, FORMIC ACID, ... | | Authors: | Minasov, G, Shuvalova, L, Rosas-Lemus, M, Kiryukhina, O, Brunzelle, J.S, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-09-01 | | Release date: | 2020-09-16 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Mn 2+ coordinates Cap-0-RNA to align substrates for efficient 2'- O -methyl transfer by SARS-CoV-2 nsp16.
Sci.Signal., 14, 2021
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7K5H
 | | 1.90 A resolution structure of WT BfrB from Pseudomonas aeruginosa in complex with a protein-protein interaction inhibitor KM-5-66 | | Descriptor: | 4-{[3-(3-chloro-5-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione, Ferroxidase, POTASSIUM ION, ... | | Authors: | Lovell, S, Battaile, K.P, Soldano, A, Punchi-Hewage, A, Meraz, K, Annor-Gyamfi, J.K, Yao, H, Bunce, R.A, Rivera, M. | | Deposit date: | 2020-09-16 | | Release date: | 2020-12-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Small Molecule Inhibitors of the Bacterioferritin (BfrB)-Ferredoxin (Bfd) Complex Kill Biofilm-Embedded Pseudomonas aeruginosa Cells.
Acs Infect Dis., 7, 2021
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7K19
 | | CryoEM structure of DNA-PK catalytic subunit complexed with DNA (Complex I) | | Descriptor: | DNA (5'-D(*AP*AP*GP*CP*AP*GP*TP*AP*GP*AP*GP*CP*AP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*TP*GP*CP*TP*CP*TP*AP*CP*TP*GP*CP*TP*TP*CP*GP*AP*TP*AP*TP*CP*G)-3'), DNA-dependent protein kinase catalytic subunit | | Authors: | Chen, X, Gellert, M, Yang, W. | | Deposit date: | 2020-09-07 | | Release date: | 2021-01-06 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Structure of an activated DNA-PK and its implications for NHEJ.
Mol.Cell, 81, 2021
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7K37
 | | Structure of full-length influenza HA with a head-binding antibody at pH 7.8 | | 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: | Gui, M, Xiang, Y, Gao, J. | | Deposit date: | 2020-09-10 | | Release date: | 2020-11-11 | | Last modified: | 2020-12-09 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structural intermediates in the low pH-induced transition of influenza hemagglutinin.
Plos Pathog., 16, 2020
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1MQ6
 | | Crystal Structure of 3-chloro-N-[4-chloro-2-[[(5-chloro-2-pyridinyl)amino]carbonyl]-6-methoxyphenyl]-4-[[(4,5-dihydro-2-oxazolyl)methylamino]methyl]-2-thiophenecarboxamide Complexed with Human Factor Xa | | Descriptor: | 3-CHLORO-N-[4-CHLORO-2-[[(5-CHLORO-2-PYRIDINYL)AMINO]CARBONYL]-6-METHOXYPHENYL]-4-[[(4,5-DIHYDRO-2-OXAZOLYL)METHYLAMINO]METHYL]-2-THIOPHENECARBOXAMIDE, CALCIUM ION, COAGULATION FACTOR X HEAVY CHAIN, ... | | Authors: | Adler, M, Whitlow, M. | | Deposit date: | 2002-09-13 | | Release date: | 2003-01-28 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structures of Two Potent Nonamidine Inhibitors Bound to Factor Xa
Biochemistry, 41, 2002
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7K4Z
 | | Crystal structure of Kemp Eliminase HG3.17 in complex with the transition state analog 6-nitrobenzotriazole | | Descriptor: | 6-NITROBENZOTRIAZOLE, Endo-1,4-beta-xylanase, PENTAETHYLENE GLYCOL | | Authors: | Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D. | | Deposit date: | 2020-09-16 | | Release date: | 2020-12-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
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4AGK
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4A8D
 | | DegP dodecamer with bound OMP | | Descriptor: | OUTER MEMBRANE PROTEIN C, PERIPLASMIC SERINE ENDOPROTEASE DEGP | | Authors: | Malet, H, Krojer, T, Sawa, J, Schafer, E, Saibil, H.R, Ehrmann, M, Clausen, T. | | Deposit date: | 2011-11-20 | | Release date: | 2012-01-11 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (28 Å) | | Cite: | Newly Folded Substrates Inside the Molecular Cage of the Htra Chaperone Degq
Nat.Struct.Mol.Biol., 19, 2012
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4A94
 | | Structure of the carboxypeptidase inhibitor from Nerita versicolor in complex with human CPA4 | | Descriptor: | CARBOXYPEPTIDASE A4, CARBOXYPEPTIDASE INHIBITOR, NITRATE ION, ... | | Authors: | Covaleda, G, Alonso, M, Chavez, M.A, Aviles, F.X, Reverter, D. | | Deposit date: | 2011-11-23 | | Release date: | 2011-12-28 | | Last modified: | 2012-03-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structure of a Novel Metallo-Carboxypeptidase Inhibitor from the Marine Mollusk Nerita Versicolor in Complex with Human Carboxypeptidase A4.
J.Biol.Chem., 287, 2012
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7JLX
 | | Structure of the activated Roq1 resistosome directly recognizing the pathogen effector XopQ (TIR domains) | | Descriptor: | Disease resistance protein Roq1 | | Authors: | Martin, R, Qi, T, Zhang, H, Lui, F, King, M, Toth, C, Nogales, E, Staskawicz, B.J. | | Deposit date: | 2020-07-30 | | Release date: | 2020-12-02 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (4.6 Å) | | Cite: | Structure of the activated ROQ1 resistosome directly recognizing the pathogen effector XopQ.
Science, 370, 2020
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4YPJ
 | | X-ray Structure of The Mutant of Glycoside Hydrolase | | Descriptor: | Beta galactosidase | | Authors: | Ishikawa, K, Kataoka, M, Yanamoto, T, Nakabayashi, M, Watanabe, M. | | Deposit date: | 2015-03-13 | | Release date: | 2015-04-29 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of beta-galactosidase from Bacillus circulans ATCC 31382 (BgaD) and the construction of the thermophilic mutants.
Febs J., 282, 2015
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4YSC
 | | Completely oxidized structure of copper nitrite reductase from Alcaligenes faecalis | | Descriptor: | CHLORIDE ION, COPPER (II) ION, Copper-containing nitrite reductase | | Authors: | Fukuda, Y, Tse, K.M, Suzuki, M, Diederichs, K, Hirata, K, Nakane, T, Sugahara, M, Nango, E, Tono, K, Joti, Y, Kameshima, T, Song, C, Hatsui, T, Yabashi, M, Nureki, O, Matsumura, H, Inoue, T, Iwata, S, Mizohata, E. | | Deposit date: | 2015-03-17 | | Release date: | 2016-03-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Redox-coupled proton transfer mechanism in nitrite reductase revealed by femtosecond crystallography
Proc.Natl.Acad.Sci.USA, 113, 2016
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4YSR
 | | Structure of copper nitrite reductase from Geobacillus thermodenitrificans - 16.6 MGy | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, COPPER (II) ION, Nitrite reductase, ... | | Authors: | Fukuda, Y, Tse, K.M, Suzuki, M, Diederichs, K, Hirata, K, Nakane, T, Sugahara, M, Nango, E, Tono, K, Joti, Y, Kameshima, T, Song, C, Hatsui, T, Yabashi, M, Nureki, O, Matsumura, H, Inoue, T, Iwata, S, Mizohata, E. | | Deposit date: | 2015-03-17 | | Release date: | 2016-02-24 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Redox-coupled structural changes in nitrite reductase revealed by serial femtosecond and microfocus crystallography
J.Biochem., 159, 2016
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7JRG
 | | Plant Mitochondrial complex III2 from Vigna radiata | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, Alpha-MPP, ... | | Authors: | Maldonado, M, Letts, J.A. | | Deposit date: | 2020-08-12 | | Release date: | 2021-01-20 | | Last modified: | 2021-02-03 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Atomic structures of respiratory complex III 2 , complex IV, and supercomplex III 2 -IV from vascular plants.
Elife, 10, 2021
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4YSE
 | | High resolution synchrotron structure of copper nitrite reductase from Alcaligenes faecalis | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETIC ACID, COPPER (II) ION, ... | | Authors: | Fukuda, Y, Tse, K.M, Suzuki, M, Diederichs, K, Hirata, K, Nakane, T, Sugahara, M, Nango, E, Tono, K, Joti, Y, Kameshima, T, Song, C, Hatsui, T, Yabashi, M, Nureki, O, Matsumura, H, Inoue, T, Iwata, S, Mizohata, E. | | Deposit date: | 2015-03-17 | | Release date: | 2016-03-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Redox-coupled proton transfer mechanism in nitrite reductase revealed by femtosecond crystallography
Proc.Natl.Acad.Sci.USA, 113, 2016
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7K1J
 | | CryoEM structure of inactivated-form DNA-PK (Complex III) | | Descriptor: | DNA (5'-D(*AP*AP*GP*CP*AP*GP*TP*AP*GP*AP*GP*CP*A)-3'), DNA (5'-D(*GP*CP*AP*TP*GP*CP*TP*CP*TP*AP*CP*TP*GP*CP*TP*TP*CP*GP*AP*TP*AP*TP*CP*G)-3'), DNA-dependent protein kinase catalytic subunit, ... | | Authors: | Chen, X, Gellert, M, Yang, W. | | Deposit date: | 2020-09-07 | | Release date: | 2021-01-06 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structure of an activated DNA-PK and its implications for NHEJ.
Mol.Cell, 81, 2021
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7K5E
 | | 1.75 A resolution structure of WT BfrB from Pseudomonas aeruginosa in complex with a protein-protein interaction inhibitor JAG-5-7 | | Descriptor: | 4-{[(5-fluoro-2-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione, Ferroxidase, POTASSIUM ION, ... | | Authors: | Lovell, S, Battaile, K.P, Soldano, A, Punchi-Hewage, A, Meraz, K, Annor-Gyamfi, J.K, Yao, H, Bunce, R.A, Rivera, M. | | Deposit date: | 2020-09-16 | | Release date: | 2020-12-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Small Molecule Inhibitors of the Bacterioferritin (BfrB)-Ferredoxin (Bfd) Complex Kill Biofilm-Embedded Pseudomonas aeruginosa Cells.
Acs Infect Dis., 7, 2021
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7KSM
 | | Human mitochondrial LONP1 with endogenous substrate | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Lon protease homolog, ... | | Authors: | Shin, M, Watson, E.R, Song, A.S, Mindrebo, J.T, Novick, S.R, Griffin, P, Wiseman, R.L, Lander, G.C. | | Deposit date: | 2020-11-23 | | Release date: | 2020-12-02 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structures of the human LONP1 protease reveal regulatory steps involved in protease activation.
Nat Commun, 12, 2021
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7KOK
 | | The crystal structure of Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with PLP_Snyder496 inhibitor | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[(E)-(hydroxyimino)methyl]-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide, ACETATE ION, ... | | Authors: | Osipiuk, J, Tesar, C, Endres, M, Lisnyak, V, Maki, S, Taylor, C, Zhang, Y, Zhou, Z, Azizi, S.A, Jones, K, Kathayat, R, Snyder, S.A, Dickinson, B.C, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-11-09 | | Release date: | 2020-11-18 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The crystal structure of Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with PLP_Snyder496
to be published
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3ZXI
 | | Crystal structure of human mitochondrial tyrosyl-tRNA synthetase in complex with a tyrosyl-adenylate analog | | Descriptor: | PHOSPHORIC ACID 2-AMINO-3-(4-HYDROXY-PHENYL)-PROPYL ESTER ADENOSIN-5'YL ESTER, TYROSYL-TRNA SYNTHETASE, MITOCHONDRIAL | | Authors: | Bonnefond, L, Frugier, M, Rudinger-Thirion, J, Balg, C, Chenevert, R, Lorber, B, Giege, R, Sauter, C. | | Deposit date: | 2011-08-11 | | Release date: | 2011-11-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Exploiting Protein Engineering and Crystal Polymorphism for Successful X-Ray Structure Determination
Cryst.Growth Des., 11, 2011
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7KRZ
 | | Human mitochondrial LONP1 in complex with Bortezomib | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Endogenous co-purified substrate, ... | | Authors: | Shin, M, Watson, E.R, Song, A.S, Mindrebo, J.T, Novick, S.R, Griffin, P, Wiseman, R.L, Lander, G.C. | | Deposit date: | 2020-11-20 | | Release date: | 2021-02-24 | | Last modified: | 2022-06-15 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structures of the human LONP1 protease reveal regulatory steps involved in protease activation.
Nat Commun, 12, 2021
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7KX5
 | | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with noncovalent inhibitor Jun8-76-3A | | Descriptor: | 3C-like proteinase, GLYCEROL, N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]furan-2-carboxamide | | Authors: | Sacco, M, Wang, J, Chen, Y. | | Deposit date: | 2020-12-03 | | Release date: | 2020-12-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discovery of Di- and Trihaloacetamides as Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity.
J.Am.Chem.Soc., 143, 2021
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4YXD
 | | CRYSTAL STRUCTURE OF PORCINE HEART MITOCHONDRIAL COMPLEX II BOUND WITH flutolanil | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Harada, S, Shiba, T, Sato, D, Yamamoto, A, Nagahama, M, Yone, A, Inaoka, D.K, Sakamoto, K, Inoue, M, Honma, T, Kita, K. | | Deposit date: | 2015-03-23 | | Release date: | 2016-03-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural Insights into the Molecular Design of Flutolanil Derivatives Targeted for Fumarate Respiration of Parasite Mitochondria
Int J Mol Sci, 16, 2015
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7L04
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3FV2
 | | Crystal structure of the human glutamate receptor, GluR5, ligand-binding core in complex with neodysiherbaine A in space group P1 | | Descriptor: | (2R,3aR,6R,7R,7aR)-2-[(2S)-2-amino-2-carboxyethyl]-6,7-dihydroxyhexahydro-2H-furo[3,2-b]pyran-2-carboxylic acid, GLYCEROL, Glutamate receptor, ... | | Authors: | Unno, M, Sasaki, M, Ikeda-Saito, M. | | Deposit date: | 2009-01-15 | | Release date: | 2010-01-19 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Binding and Selectivity of the Marine Toxin Neodysiherbaine A and Its Synthetic Analogues to GluK1 and GluK2 Kainate Receptors.
J.Mol.Biol., 413, 2011
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