6PJC
 
 | | HIV-1 Protease NL4-3 WT in Complex with LR4-41 | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-5-{[(2,6-dimethylphenoxy)acetyl]amino}-4-hydroxy-1,6-diphenylhexan-2-yl]carbamate, Protease NL4-3, SULFATE ION | | Authors: | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | | Deposit date: | 2019-06-28 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.965 Å) | | Cite: | Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere.
J.Med.Chem., 63, 2020
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3DS8
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6CNM
 | | Cryo-EM structure of the human SK4/calmodulin channel complex | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Calmodulin-1, DODECYL-BETA-D-MALTOSIDE, ... | | Authors: | Lee, C.H, MacKinnon, R. | | Deposit date: | 2018-03-08 | | Release date: | 2018-05-02 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Activation mechanism of a human SK-calmodulin channel complex elucidated by cryo-EM structures.
Science, 360, 2018
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6PPH
 | | Kaposi's sarcoma-associated herpesvirus (KSHV), C1 penton vertex register, CATC-binding structure | | Descriptor: | Capsid vertex component 1, Capsid vertex component 2, Large tegument protein deneddylase, ... | | Authors: | Gong, D, Dai, X, Jih, J, Liu, Y.T, Bi, G.Q, Sun, R, Zhou, Z.H. | | Deposit date: | 2019-07-06 | | Release date: | 2019-09-11 | | Last modified: | 2019-11-27 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | DNA-Packing Portal and Capsid-Associated Tegument Complexes in the Tumor Herpesvirus KSHV.
Cell, 178, 2019
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6COZ
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6CPE
 | | Structure of apo, dephosphorylated Aurora A (122-403) in an active conformation | | Descriptor: | 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, Aurora kinase A | | Authors: | Otten, R, Kutter, S, Buosi, V, Padua, R.A.P, Kern, D. | | Deposit date: | 2018-03-13 | | Release date: | 2018-06-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Dynamics of human protein kinase Aurora A linked to drug selectivity.
Elife, 7, 2018
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6YLE
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6YMF
 | | Crystal structure of serine hydroxymethyltransferase from Aphanothece halophytica in the PLP-Serine external aldimine state | | Descriptor: | GLYCEROL, PENTAETHYLENE GLYCOL, Serine hydroxymethyltransferase, ... | | Authors: | Ruszkowski, M, Sekula, B, Nogues, I, Tramonti, A, Angelaccio, S, Contestabile, R. | | Deposit date: | 2020-04-08 | | Release date: | 2020-06-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Structural and kinetic properties of serine hydroxymethyltransferase from the halophytic cyanobacterium Aphanothece halophytica provide a rationale for salt tolerance.
Int.J.Biol.Macromol., 159, 2020
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6PPI
 | | Kaposi's sarcoma-associated herpesvirus (KSHV), C12 portal dodecamer structure | | Descriptor: | Portal protein | | Authors: | Gong, D, Dai, X, Jih, J, Liu, Y.T, Bi, G.Q, Sun, R, Zhou, Z.H. | | Deposit date: | 2019-07-07 | | Release date: | 2019-09-11 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (4.7 Å) | | Cite: | DNA-Packing Portal and Capsid-Associated Tegument Complexes in the Tumor Herpesvirus KSHV.
Cell, 178, 2019
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6Y59
 | | 5-HT3A receptor in Salipro (apo, C5 symmetric) | | Descriptor: | 5-hydroxytryptamine receptor 3A | | Authors: | Zhang, Y, Dijkman, P.M, Zou, R, Zandl-Lang, M, Sanchez, R.M, Eckhardt-Strelau, L, Koefeler, H, Vogel, H, Yuan, S, Kudryashev, M. | | Deposit date: | 2020-02-25 | | Release date: | 2020-12-23 | | Last modified: | 2021-03-03 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Asymmetric opening of the homopentameric 5-HT 3A serotonin receptor in lipid bilayers.
Nat Commun, 12, 2021
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6Y8Y
 | | Structure of Baltic Herring (Clupea Harengus) Phosphoglucomutase 5 (PGM5) with bound Glucose-1-Phosphate | | Descriptor: | 1-O-phosphono-alpha-D-glucopyranose, ACETATE ION, CALCIUM ION, ... | | Authors: | Gustafsson, R, Eckhard, U, Selmer, M. | | Deposit date: | 2020-03-06 | | Release date: | 2020-12-16 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure and Characterization of Phosphoglucomutase 5 from Atlantic and Baltic Herring-An Inactive Enzyme with Intact Substrate Binding.
Biomolecules, 10, 2020
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6ST3
 | | HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with 4-hydroxy-N-(4-phenoxybenzyl)-2-(1H-pyrazol-1-yl)pyrimidine-5-carboxamide | | Descriptor: | 4-oxidanyl-~{N}-[(4-phenoxyphenyl)methyl]-2-pyrazol-1-yl-pyrimidine-5-carboxamide, Egl nine homolog 1, FORMIC ACID, ... | | Authors: | Chowdhury, R, Holt-Martyn, J.P, Schofield, C.J. | | Deposit date: | 2019-09-10 | | Release date: | 2019-12-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.426 Å) | | Cite: | Structure-Activity Relationship and Crystallographic Studies on 4-Hydroxypyrimidine HIF Prolyl Hydroxylase Domain Inhibitors.
Chemmedchem, 15, 2020
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6J13
 | | Redox protein from Chlamydomonas reinhardtii | | Descriptor: | 2-cys peroxiredoxin | | Authors: | Charoenwattansatien, R, Zinzius, K, Tanaka, H, Hippler, M, Kurisu, G. | | Deposit date: | 2018-12-27 | | Release date: | 2019-12-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Calcium sensing via EF-hand 4 enables thioredoxin activity in the sensor-responder protein calredoxin in the green algaChlamydomonas reinhardtii.
J.Biol.Chem., 295, 2020
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6Y7M
 | | Crystal structure of the complex resulting from the reaction between the SARS-CoV main protease and tert-butyl (1-((S)-3-cyclohexyl-1-(((S)-4-(cyclopropylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclohexyl-1-[[(2~{S},3~{R})-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate | | Authors: | Zhang, L, Lin, D, Hilgenfeld, R. | | Deposit date: | 2020-03-01 | | Release date: | 2020-03-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved alpha-ketoamide inhibitors.
Science, 368, 2020
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6D2J
 | | Beta Carbonic anhydrase in complex with thiocyanate | | Descriptor: | Carbonic anhydrase, POTASSIUM ION, THIOCYANATE ION, ... | | Authors: | Murray, A, Aggarwal, M, Pinard, M, McKenna, R. | | Deposit date: | 2018-04-13 | | Release date: | 2018-09-05 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Mapping of Anion Inhibitors to beta-Carbonic Anhydrase psCA3 from Pseudomonas aeruginosa.
ChemMedChem, 13, 2018
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2XQA
 | | Pentameric ligand gated ion channel GLIC in complex with tetrabutylantimony (TBSb) | | Descriptor: | ANTIMONY (III) ION, GLR4197 PROTEIN | | Authors: | Hilf, R.J.C, Bertozzi, C, Zimmermann, I, Reiter, A, Trauner, D, Dutzler, R. | | Deposit date: | 2010-09-01 | | Release date: | 2010-11-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Structural Basis of Open Channel Block in a Prokaryotic Pentameric Ligand-Gated Ion Channel
Nat.Struct.Mol.Biol., 17, 2010
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2XQ6
 | | Pentameric ligand gated ion channel GLIC in complex with cesium ion (Cs+) | | Descriptor: | CESIUM ION, GLR4197 PROTEIN | | Authors: | Hilf, R.J.C, Bertozzi, C, Zimmermann, I, Reiter, A, Trauner, D, Dutzler, R. | | Deposit date: | 2010-09-01 | | Release date: | 2010-11-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Structural Basis of Open Channel Block in a Prokaryotic Pentameric Ligand-Gated Ion Channel
Nat.Struct.Mol.Biol., 17, 2010
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2Q0S
 | | Structure of the Inhibitor bound form of M. Smegmatis Aryl Esterase | | Descriptor: | Aryl esterase, SULFATE ION | | Authors: | Mathews, I.I, Soltis, M, Saldajeno, M, Ganshaw, G, Sala, R, Weyler, W, Cervin, M.A, Whited, G, Bott, R. | | Deposit date: | 2007-05-22 | | Release date: | 2007-12-11 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure of a novel enzyme that catalyzes acyl transfer to alcohols in aqueous conditions.
Biochemistry, 46, 2007
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6PPD
 | | Kaposi's sarcoma-associated herpesvirus (KSHV), C1 penton vertex register, CATC-absent structure | | Descriptor: | Major capsid protein, Small capsomere-interacting protein, Triplex capsid protein 1, ... | | Authors: | Gong, D, Dai, X, Jih, J, Liu, Y.T, Bi, G.Q, Sun, R, Zhou, Z.H. | | Deposit date: | 2019-07-06 | | Release date: | 2019-09-11 | | Last modified: | 2019-11-27 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | DNA-Packing Portal and Capsid-Associated Tegument Complexes in the Tumor Herpesvirus KSHV.
Cell, 178, 2019
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6YLF
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6CFE
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6PS2
 | | XFEL beta2 AR structure by ligand exchange from Timolol 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, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, ... | | 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 (2.4 Å) | | Cite: | Toward G protein-coupled receptor structure-based drug design using X-ray lasers.
Iucrj, 6, 2019
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6YO1
 | | Crystal structure of ribonuclease A solved by vanadium SAD phasing | | Descriptor: | Ribonuclease pancreatic, URIDINE-2',3'-VANADATE | | Authors: | El Omari, K, Mohamad, N, Bountra, K, Duman, R, Romano, M, Schlegel, K, Kwong, H, Mykhaylyk, V, Olesen, C.E, Moller, J.V, Bublitz, M, Beis, K, Wagner, A. | | Deposit date: | 2020-04-14 | | Release date: | 2020-11-04 | | Last modified: | 2020-12-02 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Experimental phasing with vanadium and application to nucleotide-binding membrane proteins.
Iucrj, 7, 2020
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6C9Z
 | | THE CRYSTAL STRUCTURE OF THE alpha-Glucosidase (GH 31) W169Y mutant FROM RUMINOCOCCUS OBEUM ATCC 29174 in complex with voglibose | | Descriptor: | (1S,2S,3R,4S,5S)-5-[(1,3-dihydroxypropan-2-yl)amino]-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, Glycosyl hydrolase, family 31 | | Authors: | Tan, K, Tesar, C, Jedrzejczak, R, Joachimiak, A, Midwest Center for Macromolecular Research (MCMR) | | Deposit date: | 2018-01-29 | | Release date: | 2018-02-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.101 Å) | | Cite: | THE CRYSTAL STRUCTURE OF THE alpha-Glucosidase (GH 31) W169Y mutant FROM RUMINOCOCCUS OBEUM ATCC 29174 in complex with voglibose
To Be Published
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4J29
 | | Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR258. | | Descriptor: | Engineered Protein OR258 | | Authors: | Vorobiev, S, Su, M, Koga, R, Seetharaman, J, Koga, N, Mao, L, Xiao, R, Kohan, E, Castelllanos, J, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2013-02-04 | | Release date: | 2013-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure of Engineered Protein OR258.
To be Published
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