5NNR
 
 | | Structure of Naa15/Naa10 bound to HypK-THB | | Descriptor: | HypK, N-terminal acetyltransferase-like protein, Naa10 | | Authors: | Weyer, F.A, Gumiero, A, Kopp, J, Sinning, I. | | Deposit date: | 2017-04-10 | | Release date: | 2017-06-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural basis of HypK regulating N-terminal acetylation by the NatA complex.
Nat Commun, 8, 2017
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6MRQ
 | | Structure of ToPI1 inhibitor from Tityus obscurus scorpion venom in complex with trypsin | | Descriptor: | CALCIUM ION, Cationic trypsin, SULFATE ION, ... | | Authors: | Fernandes, J.C, Mourao, C.B.F, Schwartz, E.F, Barbosa, J.A.R.G. | | Deposit date: | 2018-10-15 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.288 Å) | | Cite: | Head-to-Tail Cyclization after Interaction with Trypsin: A Scorpion Venom Peptide that Resembles Plant Cyclotides.
J.Med.Chem., 63, 2020
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8CCO
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8OL4
 | | Structure of the C-terminal domains of the Bdellovibrio bacteriovorus Bd2439 fibre in complex with GlcNAc | | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Cell wall surface anchor family protein, ... | | Authors: | Caulton, S.G, Lovering, A.L. | | Deposit date: | 2023-03-30 | | Release date: | 2023-10-25 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Bdellovibrio bacteriovorus uses chimeric fibre proteins to recognize and invade a broad range of bacterial hosts.
Nat Microbiol, 9, 2024
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8RJB
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7T7F
 | | MA-1-206-OXA-23 25 minute complex | | Descriptor: | (2R,4S)-2-(1,3-dihydroxypropan-2-yl)-4-{[(3R,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Beta-lactamase OXA-23 | | Authors: | Smith, C.A, Stewart, N.K, Vakulenko, S.B. | | Deposit date: | 2021-12-15 | | Release date: | 2022-05-18 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | C6 Hydroxymethyl-Substituted Carbapenem MA-1-206 Inhibits the Major Acinetobacter baumannii Carbapenemase OXA-23 by Impeding Deacylation.
Mbio, 13, 2022
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8OK0
 | | Crystal structure of human NQO1 in complex with the inhibitor PMSF | | Descriptor: | ACETYL GROUP, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Martin-Garcia, J.M, Grieco, A, Ruiz-Fresneda, M.A. | | Deposit date: | 2023-03-26 | | Release date: | 2023-11-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural dynamics at the active site of the cancer-associated flavoenzyme NQO1 probed by chemical modification with PMSF.
Febs Lett., 597, 2023
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7ZK3
 | | Structure of 1PBC- and calcium-bound mTMEM16A(ac) chloride channel at 2.85 A resolution | | Descriptor: | 1-Hydroxy-3-(trifluoromethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile, Anoctamin-1, CALCIUM ION | | Authors: | Lam, A.K.M, Rutz, S, Dutzler, R. | | Deposit date: | 2022-04-12 | | Release date: | 2022-05-25 | | Last modified: | 2022-06-01 | | Method: | ELECTRON MICROSCOPY (2.85 Å) | | Cite: | Inhibition mechanism of the chloride channel TMEM16A by the pore blocker 1PBC.
Nat Commun, 13, 2022
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7T7D
 | | MA-1-206-OXA-23 30s complex | | Descriptor: | (2R,4S)-2-(1,3-dihydroxypropan-2-yl)-4-{[(3R,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Beta-lactamase OXA-23 | | Authors: | Smith, C.A, Stewart, N.K, Vakulenko, S.B. | | Deposit date: | 2021-12-15 | | Release date: | 2022-05-18 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | C6 Hydroxymethyl-Substituted Carbapenem MA-1-206 Inhibits the Major Acinetobacter baumannii Carbapenemase OXA-23 by Impeding Deacylation.
Mbio, 13, 2022
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8OKS
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6MV0
 | | CO-bound Sperm Whale Myoglobin, room temperature structure solved by serial 5degree oscillation crystallography | | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Finke, A.D, Wierman, J.L, Pare-Labrosse, O, Sarrachini, A, Besaw, J, Mehrabi, P, Gruner, S.M, Miller, R.J.D. | | Deposit date: | 2018-10-24 | | Release date: | 2019-03-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Fixed-target serial oscillation crystallography at room temperature.
IUCrJ, 6, 2019
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8ONB
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8OND
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6TP4
 | | Crystal structure of the Orexin-1 receptor in complex with ACT-462206 | | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, (2~{S})-~{N}-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide, Orexin receptor type 1, ... | | Authors: | Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A. | | Deposit date: | 2019-12-12 | | Release date: | 2020-01-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.011 Å) | | Cite: | Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
J.Med.Chem., 63, 2020
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8SZO
 | | Canavalia villosa lectin in complex with alpha-methyl-mannoside | | Descriptor: | CALCIUM ION, Canavalia villosa lectin, GLYCEROL, ... | | Authors: | Cavada, B.S, Lossio, C.F, Pinto-Junior, V.R, Osterne, V.J.S, Oliveira, M.V, Neco, A.H.B, Nascimento, K.S. | | Deposit date: | 2023-05-30 | | Release date: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Lectin from Canavalia villosa seeds: A glucose/mannose-specific protein and a new tool for inflammation studies.
Int J Biol Macromol, 105, 2017
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6MVP
 | | HCV NS5B 1b N316 bound to Compound 18 | | Descriptor: | (4-{[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}phenyl)boronic acid, Genome polyprotein | | Authors: | Williams, S.P, Kahler, K, Price, D.J, Peat, A.J. | | Deposit date: | 2018-10-26 | | Release date: | 2019-09-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design of N-Benzoxaborole Benzofuran GSK8175-Optimization of Human Pharmacokinetics Inspired by Metabolites of a Failed Clinical HCV Inhibitor.
J.Med.Chem., 62, 2019
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8CK1
 | | Carin 1 bacteriophage tail, connector and tail fibers assembly | | Descriptor: | Connector Protein, Tail Nozzle, Tail fibers Dpo36 | | Authors: | d'Acapito, A, Neumann, E, Schoehn, G. | | Deposit date: | 2023-02-14 | | Release date: | 2023-03-15 | | Last modified: | 2023-05-10 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structural Study of the Cobetia marina Bacteriophage 1 (Carin-1) by Cryo-EM.
J.Virol., 97, 2023
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4YTB
 | | Crystal structure of Porphyromonas gingivalis peptidylarginine deiminase (PPAD) in complex with dipeptide Asp-Gln. | | Descriptor: | ASPARTIC ACID, AZIDE ION, CHLORIDE ION, ... | | Authors: | Goulas, T, Mizgalska, D, Garcia-Ferrer, I, Kantyka, T, Guevara, T, Szmigielski, B, Sroka, A, Millan, C, Uson, I, Veillard, F, Potempa, B, Mydel, P, Sola, M, Potempa, J, Gomis-Ruth, F.X. | | Deposit date: | 2015-03-17 | | Release date: | 2015-07-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure and mechanism of a bacterial host-protein citrullinating virulence factor, Porphyromonas gingivalis peptidylarginine deiminase.
Sci Rep, 5, 2015
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6TPG
 | | Crystal structure of the Orexin-2 receptor in complex with EMPA at 2.74 A resolution | | Descriptor: | N-ethyl-2-[(6-methoxypyridin-3-yl)-(2-methylphenyl)sulfonyl-amino]-N-(pyridin-3-ylmethyl)ethanamide, OLEIC ACID, Orexin receptor type 2,GlgA glycogen synthase,Hypocretin receptor-2, ... | | Authors: | Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A. | | Deposit date: | 2019-12-13 | | Release date: | 2020-01-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.741 Å) | | Cite: | Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
J.Med.Chem., 63, 2020
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8CJZ
 | | Carin1 bacteriophage mature capsid | | Descriptor: | Capsid Decoration Protein, Major Capsid Protein, Spike Base Protein | | Authors: | d'Acapito, A, Neumann, E, Schoehn, G. | | Deposit date: | 2023-02-14 | | Release date: | 2023-03-15 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structural Study of the Cobetia marina Bacteriophage 1 (Carin-1) by Cryo-EM.
J.Virol., 97, 2023
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6XWN
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6MVY
 | | NavAb voltage-gated sodium channel, residues 1-226, crystallized in the presence of Class 1B Anti-arrhythmic drug Lidocaine | | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Ion transport protein, SULFATE ION | | Authors: | Lenaeus, M.J, Catterall, W.A. | | Deposit date: | 2018-10-28 | | Release date: | 2018-12-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.002 Å) | | Cite: | Fenestrations control resting-state block of a voltage-gated sodium channel.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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8OKW
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6X8T
 | | CryoEM structure of the apo-SrpI encapasulin complex from Synechococcus elongatus PCC 7942 | | Descriptor: | Protein SrpI | | Authors: | LaFrance, B.J, Nichols, R.J, Phillips, N.R, Oltrogge, L.M, Valentin-Alvarado, L.E, Bischoff, A.J, Savage, D.F, Nogales, E. | | Deposit date: | 2020-06-01 | | Release date: | 2020-06-10 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Discovery and characterization of a novel family of prokaryotic nanocompartments involved in sulfur metabolism.
Elife, 10, 2021
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5F81
 | | Acoustic injectors for drop-on-demand serial femtosecond crystallography | | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | | Authors: | Roessler, C.G, Agarwal, R, Allaire, M, Alonso-Mori, R, Andi, B, Bachega, J.F.R, Bommer, M, Brewster, A.S, Browne, M.C, Chatterjee, R, Cho, E, Cohen, A.E, Cowan, M, Datwani, S, Davidson, V.L, Defever, J, Eaton, B, Ellson, R, Feng, Y, Ghislain, L.P, Glownia, J.M, Han, G, Hattne, J, Hellmich, J, Heroux, A, Ibrahim, M, Kern, J, Kuczewski, A, Lemke, H.T, Liu, P, Majlof, L, McClintock, W.M, Myers, S, Nelsen, S, Olechno, J, Orville, A.M, Sauter, N.K, Soares, A.S, Soltis, M.S, Song, H, Stearns, R.G, Tran, R, Tsai, Y, Uervirojnangkoorn, M, Wilmot, C.M, Yachandra, V, Yano, J, Yukl, E.T, Zhu, D, Zouni, A. | | Deposit date: | 2015-12-08 | | Release date: | 2016-02-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Acoustic Injectors for Drop-On-Demand Serial Femtosecond Crystallography.
Structure, 24, 2016
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