8K2T
 
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5J1O
 | | Excited state (Bound-like) sampled during RDC restrained Replica-averaged Metadynamics (RAM) simulations of the HIV-1 TAR complexed with cyclic peptide mimetic of Tat | | Descriptor: | Apical region (29mer) of the HIV-1 TAR element, Cyclic peptide mimetic of Tat | | Authors: | Borkar, A.N, Bardaro, M.F, Varani, G, Vendruscolo, M. | | Deposit date: | 2016-03-29 | | Release date: | 2016-06-08 | | Last modified: | 2019-10-23 | | Method: | SOLUTION NMR | | Cite: | Structure of a low-population binding intermediate in protein-RNA recognition.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5FTB
 | | Crystal structure of Pif1 helicase from Bacteroides in complex with AMPPNP | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, POTASSIUM ION, ... | | Authors: | Chen, W.-F, Dai, Y.-X, Duan, X.-L, Liu, N.-N, Shi, W, Li, M, Dou, S.-X, Li, N, Dong, Y.-H, Rety, S, Xi, X.-G. | | Deposit date: | 2016-01-12 | | Release date: | 2016-02-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Crystal Structures of the Bspif1 Helicase Reveal that a Major Movement of the 2B SH3 Domain is Required for DNA Unwinding
Nucleic Acids Res., 44, 2016
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3EIY
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4IDW
 | | Polycrystalline T6 Bovine Insulin: Anisotropic Lattice Evolution and Novel Structure Refinement Strategy | | Descriptor: | Insulin A chain, Insulin B chain, ZINC ION | | Authors: | Margiolaki, I, Giannopoulou, A.E, Wright, J.P, Knight, L, Norrman, M, Schluckebier, G, Fitch, A, Von Dreele, R.B. | | Deposit date: | 2012-12-13 | | Release date: | 2013-06-05 | | Method: | POWDER DIFFRACTION | | Cite: | High-resolution powder X-ray data reveal the T6 hexameric form of bovine insulin
Acta Crystallogr.,Sect.D, 69, 2013
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5JKI
 | | Crystal structure of the first transmembrane PAP2 type phosphatidylglycerolphosphate phosphatase from Bacillus subtilis | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Putative lipid phosphate phosphatase YodM, TUNGSTATE(VI)ION, ... | | Authors: | El Ghachi, M, Howe, N, Lampion, A, Delbrassine, F, Vogeley, L, Caffrey, M, Sauvage, E, Auger, R, Guiseppe, A, Roure, S, Perlier, S, Mengin-lecreulx, D, Foglino, M, Touze, T. | | Deposit date: | 2016-04-26 | | Release date: | 2017-02-22 | | Last modified: | 2017-05-24 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal structure and biochemical characterization of the transmembrane PAP2 type phosphatidylglycerol phosphate phosphatase from Bacillus subtilis.
Cell. Mol. Life Sci., 74, 2017
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6EJF
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5FBC
 | | S1 nuclease from Aspergillus oryzae in complex with 2'-deoxyadenosine-5'-thio-monophosphate (5'dAMP(S)). | | Descriptor: | 2-DEOXY-ADENOSINE -5'-THIO-MONOPHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | Koval, T, Oestergaard, L.H, Dohnalek, J. | | Deposit date: | 2015-12-14 | | Release date: | 2016-12-28 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural and Catalytic Properties of S1 Nuclease from Aspergillus oryzae Responsible for Substrate Recognition, Cleavage, Non-Specificity, and Inhibition.
PLoS ONE, 11, 2016
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6RLP
 | | Cryo-EM reconstruction of TMV coat protein | | Descriptor: | Capsid protein, RNA (5'-R(P*GP*AP*A)-3') | | Authors: | Kandiah, E, Effantin, G. | | Deposit date: | 2019-05-02 | | Release date: | 2022-11-23 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (2.3 Å) | | Cite: | CM01: a facility for cryo-electron microscopy at the European Synchrotron.
Acta Crystallogr D Struct Biol, 75, 2019
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3EQB
 | | X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with ligand and MgATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | | Authors: | Ohren, J.F, Pavlovsky, A, Zhang, E. | | Deposit date: | 2008-09-30 | | Release date: | 2008-11-11 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | 2-Alkylamino- and alkoxy-substituted 2-amino-1,3,4-oxadiazoles-O-Alkyl benzohydroxamate esters replacements retain the desired inhibition and selectivity against MEK (MAP ERK kinase).
Bioorg.Med.Chem.Lett., 18, 2008
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1NKW
 | | Crystal Structure Of The Large Ribosomal Subunit From Deinococcus Radiodurans | | Descriptor: | 23S ribosomal RNA, 50S ribosomal protein L11, 50S ribosomal protein L13, ... | | Authors: | Harms, J.M, Schluenzen, F, Zarivach, R, Bashan, A, Gat, S, Agmon, I, Bartels, H, Franceschi, F, Yonath, A. | | Deposit date: | 2003-01-05 | | Release date: | 2003-02-11 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | High resolution structure of the large ribosomal subunit from a mesophilic eubacterium
Cell(Cambridge,Mass.), 107, 2001
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5GAS
 | | Thermus thermophilus V/A-ATPase, conformation 2 | | Descriptor: | Archaeal/vacuolar-type H+-ATPase subunit I, V-type ATP synthase alpha chain, V-type ATP synthase beta chain, ... | | Authors: | Schep, D.G, Zhao, J, Rubinstein, J.L. | | Deposit date: | 2016-02-05 | | Release date: | 2016-03-09 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (9.5 Å) | | Cite: | Models for the a subunits of the Thermus thermophilus V/A-ATPase and Saccharomyces cerevisiae V-ATPase enzymes by cryo-EM and evolutionary covariance.
Proc.Natl.Acad.Sci.USA, 113, 2016
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6SG9
 | | Head domain of the mt-SSU assemblosome from Trypanosoma brucei | | Descriptor: | 9S rRNA, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Saurer, M, Ramrath, D.J.F, Niemann, M, Calderaro, S, Prange, C, Mattei, S, Scaiola, A, Leitner, A, Bieri, P, Horn, E.K, Leibundgut, M, Boehringer, D, Schneider, A, Ban, N. | | Deposit date: | 2019-08-03 | | Release date: | 2019-09-18 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Mitoribosomal small subunit biogenesis in trypanosomes involves an extensive assembly machinery.
Science, 365, 2019
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5GAI
 | | Probabilistic Structural Models of Mature P22 Bacteriophage Portal, Hub, and Tailspike proteins | | Descriptor: | Peptidoglycan hydrolase gp4, Portal protein, Tail fiber protein | | Authors: | Pintilie, G, Chen, D.H, Haase-Pettingell, C.A, King, J.A, Chiu, W. | | Deposit date: | 2015-12-01 | | Release date: | 2016-02-17 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (10.5 Å) | | Cite: | Resolution and Probabilistic Models of Components in CryoEM Maps of Mature P22 Bacteriophage.
Biophys.J., 110, 2016
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1ILS
 | | X-RAY CRYSTAL STRUCTURE THE TWO SITE-SPECIFIC MUTANTS ILE7SER AND PHE110SER OF AZURIN FROM PSEUDOMONAS AERUGINOSA | | Descriptor: | AZURIN, COPPER (II) ION, NITRATE ION | | Authors: | Hammann, C, Nar, H, Huber, R, Messerschmidt, A. | | Deposit date: | 1995-10-12 | | Release date: | 1996-03-08 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | X-ray crystal structure of the two site-specific mutants Ile7Ser and Phe110Ser of azurin from Pseudomonas aeruginosa.
J.Mol.Biol., 255, 1996
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6SGR
 | | Cryo-EM structure of Escherichia coli AcrBZ and DARPin in Saposin A-nanodisc with cardiolipin | | Descriptor: | DARPin, Multidrug efflux pump accessory protein AcrZ, Multidrug efflux pump subunit AcrB | | Authors: | Szewczak-Harris, A, Du, D, Newman, C, Neuberger, A, Luisi, B.F. | | Deposit date: | 2019-08-05 | | Release date: | 2020-05-13 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.17 Å) | | Cite: | Interactions of a Bacterial RND Transporter with a Transmembrane Small Protein in a Lipid Environment.
Structure, 28, 2020
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5K1X
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3EWA
 | | RADA recombinase from METHANOCOCCUS MARIPALUDIS in complex with AMPPNP and ammonium ions | | Descriptor: | DNA repair and recombination protein radA, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Li, Y, He, Y, Luo, Y. | | Deposit date: | 2008-10-14 | | Release date: | 2009-05-05 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Conservation of a conformational switch in RadA recombinase from Methanococcus maripaludis.
Acta Crystallogr.,Sect.D, 65, 2009
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1WC3
 | | Soluble adenylyl cyclase CyaC from S. platensis in complex with alpha, beta-methylene-ATP and Strontium | | Descriptor: | ADENYLATE CYCLASE, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, STRONTIUM ION | | Authors: | Steegborn, C, Litvin, T.N, Levin, L.R, Buck, J, Wu, H. | | Deposit date: | 2004-11-08 | | Release date: | 2004-12-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Bicarbonate Activation of Adenylyl Cyclase Via Promotion of Catalytic Active Site Closure and Metal Recruitment
Nat.Struct.Mol.Biol., 12, 2005
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1WC5
 | | Soluble adenylyl cyclase CyaC from S. platensis in complex with alpha, beta-methylene-ATP in presence of bicarbonate | | Descriptor: | ADENYLATE CYCLASE, CALCIUM ION, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ... | | Authors: | Steegborn, C, Litvin, T.N, Levin, L.R, Buck, J, Wu, H. | | Deposit date: | 2004-11-08 | | Release date: | 2004-12-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Bicarbonate Activation of Adenylyl Cyclase Via Promotion of Catalytic Active Site Closure and Metal Recruitment
Nat.Struct.Mol.Biol., 12, 2005
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1WC6
 | | Soluble adenylyl cyclase CyaC from S. platensis in complex with Rp- ATPalphaS in presence of bicarbonate | | Descriptor: | ADENOSINE-5'-RP-ALPHA-THIO-TRIPHOSPHATE, ADENYLATE CYCLASE, MAGNESIUM ION | | Authors: | Steegborn, C, Litvin, T.N, Levin, L.R, Buck, J, Wu, H. | | Deposit date: | 2004-11-08 | | Release date: | 2004-12-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Bicarbonate Activation of Adenylyl Cyclase Via Promotion of Catalytic Active Site Closure and Metal Recruitment
Nat.Struct.Mol.Biol., 12, 2005
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3FD5
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7US6
 | | Structure of the human coronavirus CCoV-HuPn-2018 spike glycoprotein with domain 0 in the proximal conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | Authors: | Tortorici, M.A, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2022-04-23 | | Release date: | 2022-08-24 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structure, receptor recognition, and antigenicity of the human coronavirus CCoV-HuPn-2018 spike glycoprotein.
Cell, 185, 2022
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6SGU
 | | Cryo-EM structure of Escherichia coli AcrB and DARPin in Saposin A-nanodisc | | Descriptor: | DARPin, Multidrug efflux pump subunit AcrB | | Authors: | Szewczak-Harris, A, Du, D, Newman, C, Neuberger, A, Luisi, B.F. | | Deposit date: | 2019-08-05 | | Release date: | 2020-05-13 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.27 Å) | | Cite: | Interactions of a Bacterial RND Transporter with a Transmembrane Small Protein in a Lipid Environment.
Structure, 28, 2020
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5KDT
 | | Structure of the human GluN1/GluN2A LBD in complex with GNE0723 | | Descriptor: | (1~{R},2~{R})-2-[7-[[5-chloranyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxidanylidene-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]cyclopropane-1-carbonitrile, ACETATE ION, GLUTAMIC ACID, ... | | Authors: | Wallweber, H.J.A, Lupardus, P.J. | | Deposit date: | 2016-06-08 | | Release date: | 2016-07-13 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Discovery of GluN2A-Selective NMDA Receptor Positive Allosteric Modulators (PAMs): Tuning Deactivation Kinetics via Structure-Based Design.
J. Med. Chem., 59, 2016
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