8T1K
 
 | | DSBU crosslinked nNOS-CaM oxygenase homodimer | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ARGININE, Nitric oxide synthase 1, ... | | Authors: | Lee, K, Pospiech, T.H, Southworth, D. | | Deposit date: | 2023-06-02 | | Release date: | 2023-11-29 | | Last modified: | 2023-12-27 | | Method: | ELECTRON MICROSCOPY (3.14 Å) | | Cite: | Mapping interactions of calmodulin and neuronal NO synthase by crosslinking and mass spectrometry.
J.Biol.Chem., 300, 2023
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8F0S
 | | Structure of VSD4-NaV1.7-NaVPas channel chimera bound to the hybrid inhibitor GNE-9296 | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kschonsak, M, Jao, C.C, Arthur, C.P, Rohou, A.L, Bergeron, P, Ortwine, D, McKerall, S.J, Hackos, D.H, Deng, L, Chen, J, Sutherlin, D, Dragovich, P.S, Volgraf, M, Wright, M.R, Payandeh, J, Ciferri, C, Tellis, J.C. | | Deposit date: | 2022-11-03 | | Release date: | 2023-04-12 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Cryo-EM reveals an unprecedented binding site for Na V 1.7 inhibitors enabling rational design of potent hybrid inhibitors.
Elife, 12, 2023
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8F0P
 | | Structure of VSD4-NaV1.7-NaVPas channel chimera bound to the hybrid inhibitor GNE-1305 | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ... | | Authors: | Kschonsak, M, Jao, C.C, Arthur, C.P, Rohou, A.L, Bergeron, P, Ortwine, D, McKerall, S.J, Hackos, D.H, Deng, L, Chen, J, Sutherlin, D, Dragovich, P.S, Volgraf, M, Wright, M.R, Payandeh, J, Ciferri, C, Tellis, J.C. | | Deposit date: | 2022-11-03 | | Release date: | 2023-04-12 | | Method: | ELECTRON MICROSCOPY (2.2 Å) | | Cite: | Cryo-EM reveals an unprecedented binding site for Na V 1.7 inhibitors enabling rational design of potent hybrid inhibitors.
Elife, 12, 2023
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8F0R
 | | Structure of VSD4-NaV1.7-NaVPas channel chimera bound to the arylsulfonamide inhibitor GNE-3565 | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-chloro-4-({(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl}amino)-2-fluoro-N-(pyrimidin-4-yl)benzene-1-sulfonamide, ... | | Authors: | Kschonsak, M, Jao, C.C, Arthur, C.P, Rohou, A.L, Bergeron, P, Ortwine, D, McKerall, S.J, Hackos, D.H, Deng, L, Chen, J, Sutherlin, D, Dragovich, P.S, Volgraf, M, Wright, M.R, Payandeh, J, Ciferri, C, Tellis, J.C. | | Deposit date: | 2022-11-03 | | Release date: | 2023-04-12 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Cryo-EM reveals an unprecedented binding site for Na V 1.7 inhibitors enabling rational design of potent hybrid inhibitors.
Elife, 12, 2023
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7CAN
 | | Structure of sybody MR17-K99Y in complex with the SARS-CoV-2 S Receptor-binding domain (RBD) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Spike protein S1, ... | | Authors: | Li, T, Yao, H, Cai, H, Qin, W, Li, D. | | Deposit date: | 2020-06-09 | | Release date: | 2020-06-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.94 Å) | | Cite: | A synthetic nanobody targeting RBD protects hamsters from SARS-CoV-2 infection.
Nat Commun, 12, 2021
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7YYH
 | | Structure of the human CCANdeltaT CENP-A alpha-satellite complex | | Descriptor: | Centromere protein C, Centromere protein H, Centromere protein I, ... | | Authors: | Yatskevich, S, Muir, K.W, Bellini, D, Zhang, Z, Yang, J, Tischer, T, Predin, M, Dendooven, T, McLaughlin, S.H, Barford, D. | | Deposit date: | 2022-02-17 | | Release date: | 2022-05-18 | | Last modified: | 2022-06-01 | | Method: | ELECTRON MICROSCOPY (8.9 Å) | | Cite: | Structure of the human inner kinetochore bound to a centromeric CENP-A nucleosome.
Science, 376, 2022
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6QXB
 | | NMR structure of peptide 7, characterized by a cis-4-amino-Pro residue, with a significant lower MIC on E. coli | | Descriptor: | PHE-VAL-CAP-TRP-PHE-SER-LYS-PHE-LEU-GLY-ARG-ILE-LEU-NH2 | | Authors: | Brancaccio, D, Carotenuto, A, Merlino, F, Grieco, P, Novellino, E. | | Deposit date: | 2019-03-07 | | Release date: | 2019-05-29 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | The Outcomes of Decorated Prolines in the Discovery of Antimicrobial Peptides from Temporin-L.
Chemmedchem, 14, 2019
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6QXC
 | | NMR structure of peptide 8, characterized by a trans-4-cyclohexyl-Pro, with a dramatic reduction in activity on E. coli ATCC and lost effect on P. aeruginosa. | | Descriptor: | PHE-VAL-TCP-TRP-PHE-SER-LYS-PHE-LEU-GLY-ARG-ILE-LEU-NH2 | | Authors: | Brancaccio, D, Carotenuto, A, Merlino, F, Grieco, P, Novellino, E. | | Deposit date: | 2019-03-07 | | Release date: | 2019-05-29 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | The Outcomes of Decorated Prolines in the Discovery of Antimicrobial Peptides from Temporin-L.
Chemmedchem, 14, 2019
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7YWX
 | | Structure of the human CCAN CENP-A alpha-satellite complex | | Descriptor: | Centromere protein C, Centromere protein H, Centromere protein I, ... | | Authors: | Yatskevich, S, Muir, K.W, Bellini, D, Zhang, Z, Yang, J, Tischer, T, Predin, M, Dendooven, T, McLaughlin, S.H, Barford, D. | | Deposit date: | 2022-02-14 | | Release date: | 2022-05-18 | | Last modified: | 2022-06-01 | | Method: | ELECTRON MICROSCOPY (12 Å) | | Cite: | Structure of the human inner kinetochore bound to a centromeric CENP-A nucleosome.
Science, 376, 2022
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2JRY
 | | Structure and Sodium Channel Activity of an Excitatory I1-Superfamily Conotoxin | | Descriptor: | I-superfamily conotoxin r11a | | Authors: | Buczek, O, Wei, D, Babon, J, Yang, X, Fiedler, B, Chen, P, Yoshikami, D, Olivera, B, Bulaj, G, Norton, R. | | Deposit date: | 2007-06-29 | | Release date: | 2007-10-23 | | Last modified: | 2022-03-09 | | Method: | SOLUTION NMR | | Cite: | Structure and sodium channel activity of an excitatory I1-superfamily conotoxin.
Biochemistry, 46, 2007
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7CRB
 | | Cryo-EM structure of plant NLR RPP1 LRR-ID domain in complex with ATR1 | | Descriptor: | Avirulence protein ATR1, NAD+ hydrolase (NADase) | | Authors: | Ma, S.C, Lapin, D, Liu, L, Sun, Y, Song, W, Zhang, X.X, Logemann, E, Yu, D.L, Wang, J, Jirschitzka, J, Han, Z.F, SchulzeLefert, P, Parker, J.E, Chai, J.J. | | Deposit date: | 2020-08-13 | | Release date: | 2020-12-16 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.16 Å) | | Cite: | Direct pathogen-induced assembly of an NLR immune receptor complex to form a holoenzyme.
Science, 370, 2020
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7XW9
 | | Cryo-EM structure of the TRH-bound human TRHR-Gq complex | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(q) subunit alpha, ... | | Authors: | Ji, S, Dong, Y, Chen, L, Zang, S, Shen, D, Guo, J, Qin, J, Zhang, H, Wang, W, Shen, Q, Mao, C, Zhang, Y. | | Deposit date: | 2022-05-26 | | Release date: | 2022-12-28 | | Last modified: | 2024-01-10 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Molecular basis for the activation of thyrotropin-releasing hormone receptor.
Cell Discov, 8, 2022
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2J6C
 | | crystal structure of AFV3-109, a highly conserved protein from crenarchaeal viruses | | Descriptor: | AFV3-109, GLYCEROL | | Authors: | Keller, J, Leulliot, N, Cambillau, C, Campanacci, V, Porciero, S, Prangishvili, D, Cortez, D, Quevillon-Cheruel, S, Van Tilbeurgh, H. | | Deposit date: | 2006-09-27 | | Release date: | 2007-02-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal Structure of Afv3-109, a Highly Conserved Protein from Crenarchaeal Viruses.
Virol J., 4, 2007
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3LEO
 | | Structure of human Leukotriene C4 synthase mutant R31Q in complex with glutathione | | Descriptor: | DODECYL-BETA-D-MALTOSIDE, GLUTATHIONE, GLYCEROL, ... | | Authors: | Niegowski, D, Martinez-Molina, D, Rinaldo-Matthis, A, Nordlund, P, Haeggstrom, J. | | Deposit date: | 2010-01-15 | | Release date: | 2010-10-27 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Arginine 104 is a key catalytic residue in leukotriene C4 synthase.
J.Biol.Chem., 285, 2010
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8F54
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2JNA
 | | Solution NMR Structure of Salmonella typhimurium LT2 Secreted Protein STM0082: Northeast Structural Genomics Consortium Target StR109 | | Descriptor: | Putative secreted protein | | Authors: | Eletsky, A, Parish, D, Liu, G, Sukumaran, D, Jiang, M, Cunningham, K, Ma, L, Xiao, R, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2006-12-31 | | Release date: | 2007-02-06 | | Last modified: | 2023-12-20 | | Method: | SOLUTION NMR | | Cite: | Solution NMR Structure of Salmonella typhimurium LT2 Secreted Protein STM0082: Northeast Structural Genomics Consortium Target StR109
To be Published
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7CR4
 | | human KCNQ2-CaM in complex with ztz240 | | Descriptor: | Calmodulin-3, N-(6-chloranylpyridin-3-yl)-4-fluoranyl-benzamide, Potassium voltage-gated channel subfamily KQT member 2 | | Authors: | Li, X, Lv, D, Wang, J, Ye, S, Guo, J. | | Deposit date: | 2020-08-12 | | Release date: | 2020-09-16 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Molecular basis for ligand activation of the human KCNQ2 channel.
Cell Res., 31, 2021
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6RNX
 | | Crystal structure of the essential repressor DdrO from radiation-resistant Deinococcus bacteria (Deinococcus deserti) | | Descriptor: | CHLORIDE ION, HTH-type transcriptional regulator DdrOC | | Authors: | Arnoux, P, Siponen, M.I, Pignol, D, De Groot, A, Blanchard, L. | | Deposit date: | 2019-05-09 | | Release date: | 2019-10-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Crystal structure of the transcriptional repressor DdrO: insight into the metalloprotease/repressor-controlled radiation response in Deinococcus.
Nucleic Acids Res., 47, 2019
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8F4X
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3VGN
 | | Crystal Structure of Ketosteroid Isomerase D40N from Pseudomonas putida (pKSI) with bound 3-fluoro-4-nitrophenol | | Descriptor: | 3-fluoro-4-nitrophenol, Steroid Delta-isomerase | | Authors: | Caaveiro, J.M.M, Pybus, B, Ringe, D, Petsko, G.A, Sigala, P.A. | | Deposit date: | 2011-08-16 | | Release date: | 2012-08-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Quantitative dissection of hydrogen bond-mediated proton transfer in the ketosteroid isomerase active site
Proc.Natl.Acad.Sci.USA, 110, 2013
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8F53
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1J56
 | | MINIMIZED AVERAGE STRUCTURE OF BERYLLOFLUORIDE-ACTIVATED NTRC RECEIVER DOMAIN: MODEL STRUCTURE INCORPORATING ACTIVE SITE CONTACTS | | Descriptor: | BERYLLIUM TRIFLUORIDE ION, NITROGEN REGULATION PROTEIN NR(I) | | Authors: | Hastings, C.A, Lee, S.-Y, Cho, H.S, Yan, D, Kustu, S, Wemmer, D.E. | | Deposit date: | 2002-01-10 | | Release date: | 2003-08-19 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | High-Resolution Solution Structure of the Beryllofluoride-Activated NtrC Receiver Domain
Biochemistry, 42, 2003
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1J2L
 | | Crystal structure of the disintegrin, trimestatin | | Descriptor: | Disintegrin triflavin, SULFATE ION | | Authors: | Fujii, Y, Okuda, D, Fujimoto, Z, Morita, T, Mizuno, H. | | Deposit date: | 2003-01-06 | | Release date: | 2003-10-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structure of Trimestatin, a Disintegrin Containing a Cell Adhesion Recognition Motif RGD
J.Mol.Biol., 332, 2003
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2JY5
 | | NMR structure of Ubiquilin 1 UBA domain | | Descriptor: | Ubiquilin-1 | | Authors: | Zhang, D, Raasi, S, Fushman, D. | | Deposit date: | 2007-12-06 | | Release date: | 2008-03-18 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Affinity makes the difference: nonselective interaction of the UBA domain of Ubiquilin-1 with monomeric ubiquitin and polyubiquitin chains
J.Mol.Biol., 377, 2008
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5KZQ
 | | Metabotropic Glutamate Receptor in complex with antagonist (1~{S},2~{R},3~{S},4~{S},5~{R},6~{R})-2-azanyl-3-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-4-oxidanyl-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid | | Descriptor: | (1~{S},2~{R},3~{S},4~{S},5~{R},6~{R})-2-azanyl-3-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-4-oxidanyl-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 2 | | Authors: | Chappell, M.D, Li, R, Smith, S.C, Dressman, B.A, Tromiczak, E.G, Tripp, A.E, Blanco, M.-J, Vetman, T, Quimby, S.J, Matt, J, Britton, T, Fivush, A.M, Schkeryantz, J.M, Mayhugh, D, Erickson, J.A, Bures, M, Jaramillo, C, Carpintero, M, de Diego, J.E, Barberis, M, Garcia-Cerrada, S, Soriano, J.F, Antonysamy, S, Atwell, S, MacEwan, I, Condon, B, Bradley, C, Wang, J, Zhang, A, Conners, K, Groshong, C, Wasserman, S.R, Koss, J.W, Witkin, J.M, Li, X, Overshiner, C, Wafford, K.A, Seidel, W, Wang, X.-S, Heinz, B.A, Swanson, S, Catlow, J, Bedwell, D, Monn, J.A, Mitch, C.H, Ornstein, P. | | Deposit date: | 2016-07-25 | | Release date: | 2016-12-28 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery of (1S,2R,3S,4S,5R,6R)-2-Amino-3-[(3,4-difluorophenyl)sulfanylmethyl]-4-hydroxy-bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid Hydrochloride (LY3020371HCl): A Potent, Metabotropic Glutamate 2/3 Receptor Antagonist with Antidepressant-Like Activity.
J. Med. Chem., 59, 2016
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