5IRX
 
 | | Structure of TRPV1 in complex with DkTx and RTX, determined in lipid nanodisc | | Descriptor: | (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate, (2S)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(hexanoyloxy)propyl hexanoate, (4R,7S)-4-hydroxy-N,N,N-trimethyl-4,9-dioxo-7-[(pentanoyloxy)methyl]-3,5,8-trioxa-4lambda~5~-phosphatetradecan-1-aminium, ... | | Authors: | Gao, Y, Cao, E, Julius, D, Cheng, Y. | | Deposit date: | 2016-03-14 | | Release date: | 2016-05-25 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (2.95 Å) | | Cite: | TRPV1 structures in nanodiscs reveal mechanisms of ligand and lipid action.
Nature, 534, 2016
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7QI9
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1YU7
 | | Crystal Structure of the W64Y mutant of Villin Headpiece | | Descriptor: | Villin | | Authors: | Meng, J, Vardar, D, Wang, Y, Guo, H.C, Head, J.F, McKnight, C.J. | | Deposit date: | 2005-02-12 | | Release date: | 2005-09-06 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | High-resolution crystal structures of villin headpiece and mutants with reduced F-actin binding activity.
Biochemistry, 44, 2005
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5IM9
 | | Xanthomonas campestris Peroxiredoxin Q - Structure F1 | | Descriptor: | Bacterioferritin comigratory protein, SODIUM ION | | Authors: | Perkins, A, Parsonage, D, Nelson, K.J, Poole, L.B, Karplus, A. | | Deposit date: | 2016-03-05 | | Release date: | 2016-09-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Peroxiredoxin Catalysis at Atomic Resolution.
Structure, 24, 2016
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7QKC
 | | Crystal structure of human Cathepsin L after incubation with Sulfo-Calpeptin | | Descriptor: | Calpeptin, Cathepsin L, DI(HYDROXYETHYL)ETHER | | Authors: | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | | Deposit date: | 2021-12-17 | | Release date: | 2022-12-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023
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7QNN
 | | Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with inhibitor (surface entropy reduction mutant) | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Steroid C26-monooxygenase, ethyl 1-(cyclopentylmethyl)-5-pyridin-4-yl-indole-2-carboxylate | | Authors: | Snee, M, Tunnicliffe, R, Leys, D, Levy, C, Katariya, M. | | Deposit date: | 2021-12-21 | | Release date: | 2022-12-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
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6SUE
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5IMZ
 | | Xanthomonas campestris Peroxiredoxin Q - Structure F7 | | Descriptor: | Bacterioferritin comigratory protein, CHLORIDE ION, FORMIC ACID, ... | | Authors: | Perkins, A, Parsonage, D, Nelson, K.J, Poole, L.B, Karplus, A. | | Deposit date: | 2016-03-07 | | Release date: | 2016-09-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Peroxiredoxin Catalysis at Atomic Resolution.
Structure, 24, 2016
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7QNS
 | | Peptide VYEKKP in complex with human cathepsin V C25S mutant | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cathepsin L2, ... | | Authors: | Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D. | | Deposit date: | 2021-12-22 | | Release date: | 2023-01-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Peptide VYEKKP in complex with human cathepsin V C25S mutant
To Be Published
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1I5V
 | | SOLUTION STRUCTURE OF 2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-ETHANOL INTERCALATED IN THE DNA DUPLEX D(CGATCG)2 | | Descriptor: | 2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-ETHANOL, 5'-D(*CP*GP*AP*TP*CP*G)-3' | | Authors: | Favier, A, Blackledge, M, Simorre, J.P, Marion, D, Debousy, J.C. | | Deposit date: | 2001-03-01 | | Release date: | 2001-03-14 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of 2-(pyrido[1,2-e]purin-4-yl)amino-ethanol intercalated in the DNA duplex d(CGATCG)2.
Biochemistry, 40, 2001
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1YO5
 | | Analysis of the 2.0A crystal structure of the protein-DNA complex of human PDEF Ets domain bound to the prostate specific antigen regulatory site | | Descriptor: | Enhancer site of Prostate Specific Antigen Promoter Region, SAM pointed domain containing ets transcription factor | | Authors: | Wang, Y, Feng, L, Said, M, Balderman, S, Fayazi, Z, Liu, Y, Ghosh, D, Gulick, A.M. | | Deposit date: | 2005-01-26 | | Release date: | 2005-05-17 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Analysis of the 2.0 A Crystal Structure of the Protein-DNA Complex of the Human PDEF Ets Domain Bound to the Prostate Specific Antigen Regulatory Site
Biochemistry, 44, 2005
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6JQV
 | | Crystal structure of Arabidopsis thaliana NRP2 | | Descriptor: | NAP1-related protein 2 | | Authors: | Kumar, A, Vasudevan, D. | | Deposit date: | 2019-04-01 | | Release date: | 2019-07-10 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.42 Å) | | Cite: | Structural Characterization ofArabidopsis thalianaNAP1-Related Protein 2 (AtNRP2) and Comparison with its Homolog AtNRP1.
Molecules, 24, 2019
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7QO2
 | | Peptide GAKSAA in complex with human cathepsin V C25A mutant | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cathepsin L2, ... | | Authors: | Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D. | | Deposit date: | 2021-12-23 | | Release date: | 2023-01-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Peptide GAKSAA in complex with human cathepsin V C25A mutant
To Be Published
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1YQQ
 | | Escherichia coli purine nucleoside phosphorylase II, the product of the xapA gene | | Descriptor: | GUANINE, PHOSPHATE ION, Xanthosine phosphorylase | | Authors: | Dandanell, G, Szczepanowski, R.H, Kierdaszuk, B, Shugar, D, Bochtler, M. | | Deposit date: | 2005-02-02 | | Release date: | 2005-04-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Escherichia coli Purine Nucleoside Phosphorylase II, the Product of the xapA Gene
J.Mol.Biol., 348, 2005
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6J7E
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1YO2
 | | Proton Transfer from His200 in Human Carbonic Anhydrase II | | Descriptor: | Carbonic anhydrase II, ZINC ION | | Authors: | Bhatt, D, Tu, C, Fisher, S.Z, Hernandez Prada, J.A, McKenna, R, Silverman, D.N. | | Deposit date: | 2005-01-26 | | Release date: | 2005-09-20 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Proton transfer in a Thr200His mutant of human carbonic anhydrase II
Proteins, 61, 2005
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7QW7
 | | Adenine-specific DNA methyltransferase M.BseCI complexed with AdoHcy and cognate fully methylated DNA duplex | | Descriptor: | Fully methylated DNA duplex, Modification methylase BseCI, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Mitsikas, D.A, Kouyianou, K, Kotsifaki, D, Providaki, M, Bouriotis, V, Glykos, N.M, Kokkinidis, M. | | Deposit date: | 2022-01-24 | | Release date: | 2023-01-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of M.BseCI DNA methyltransferase from Geobacillus stearothermophilus.
To Be Published
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1IB5
 | | X-RAY 3D STRUCTURE OF P.LEIOGNATHI CU,ZN SOD MUTANT W83Y | | Descriptor: | COPPER (II) ION, CU,ZN SUPEROXIDE DISMUTASE, ZINC ION | | Authors: | Stroppolo, M.E, Pesce, A, D'Orazio, M, O'Neill, P, Bordo, D, Rosano, C, Milani, M, Battistoni, A, Bolognesi, M, Desideri, A. | | Deposit date: | 2001-03-27 | | Release date: | 2001-05-09 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Single mutations at the subunit interface modulate copper reactivity in Photobacterium leiognathi Cu,Zn superoxide dismutase.
J.Mol.Biol., 308, 2001
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1XM6
 | | Catalytic Domain Of Human Phosphodiesterase 4B In Complex With (R)-Mesopram | | Descriptor: | (5R)-5-(4-methoxy-3-propoxyphenyl)-5-methyl-1,3-oxazolidin-2-one, MAGNESIUM ION, ZINC ION, ... | | Authors: | Card, G.L, England, B.P, Suzuki, Y, Fong, D, Powell, B, Lee, B, Luu, C, Tabrizizad, M, Gillette, S, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J. | | Deposit date: | 2004-10-01 | | Release date: | 2004-12-14 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Structural Basis for the Activity of Drugs that Inhibit Phosphodiesterases.
STRUCTURE, 12, 2004
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5K2B
 | | 2.5 angstrom A2a adenosine receptor structure with MR phasing using XFEL data | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ... | | Authors: | Batyuk, A, Galli, L, Ishchenko, A, Han, G.W, Gati, C, Popov, P, Lee, M.-Y, Stauch, B, White, T.A, Barty, A, Aquila, A, Hunter, M.S, Liang, M, Boutet, S, Pu, M, Liu, Z.-J, Nelson, G, James, D, Li, C, Zhao, Y, Spence, J.C.H, Liu, W, Fromme, P, Katritch, V, Weierstall, U, Stevens, R.C, Cherezov, V, GPCR Network (GPCR) | | Deposit date: | 2016-05-18 | | Release date: | 2016-09-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Native phasing of x-ray free-electron laser data for a G protein-coupled receptor.
Sci Adv, 2, 2016
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1X7A
 | | Porcine Factor IXa Complexed to 1-{3-[amino(imino)methyl]phenyl}-N-[4-(1H-benzimidazol-1-yl)-2-fluorophenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide | | Descriptor: | 1-{3-[AMINO(IMINO)METHYL]PHENYL}-N-[4-(1H-BENZIMIDAZOL-1-YL)-2-FLUOROPHENYL]-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-CARBOXAMIDE, Coagulation Factor IX, light chain, ... | | Authors: | Alexander, R.S, Smallwood, A.M, Smallheer, J.M, Wang, J, Wang, S, Nakajima, S, Rossi, K.A, Barbera, F, Burdick, D, Luettgen, J.M. | | Deposit date: | 2004-08-13 | | Release date: | 2005-08-16 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | SAR and factor IXa crystal structure of a dual inhibitor of factors IXa and Xa
Bioorg.Med.Chem.Lett., 14, 2004
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1XA3
 | | Crystal structure of CaiB, a type III CoA transferase in carnitine metabolism | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Crotonobetainyl-CoA:carnitine CoA-transferase, SULFATE ION | | Authors: | Stenmark, P, Gurmu, D, Nordlund, P, Structural Proteomics in Europe (SPINE) | | Deposit date: | 2004-08-25 | | Release date: | 2004-11-16 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal Structure of CaiB, a Type-III CoA Transferase in Carnitine Metabolism
Biochemistry, 43, 2004
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1XOR
 | | Catalytic Domain Of Human Phosphodiesterase 4D In Complex With Zardaverine | | Descriptor: | 6-(4-DIFLUOROMETHOXY-3-METHOXY-PHENYL)-2H-PYRIDAZIN-3-ONE, MAGNESIUM ION, ZINC ION, ... | | Authors: | Card, G.L, England, B.P, Suzuki, Y, Fong, D, Powell, B, Lee, B, Luu, C, Tabrizizad, M, Gillette, S, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J. | | Deposit date: | 2004-10-06 | | Release date: | 2004-12-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Structural Basis for the Activity of Drugs that Inhibit Phosphodiesterases.
STRUCTURE, 12, 2004
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1IAZ
 | | EQUINATOXIN II | | Descriptor: | EQUINATOXIN II, SULFATE ION | | Authors: | Athanasiadis, A, Anderluh, G, Macek, P, Turk, D. | | Deposit date: | 2001-03-24 | | Release date: | 2001-04-04 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the soluble form of equinatoxin II, a pore-forming toxin from the sea anemone Actinia equina.
Structure, 9, 2001
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1XPL
 | | Crystal Structure of Staphylococcus aureus HMG-COA Synthase with Acetoacetyl-COA and Acetylated Cysteine | | Descriptor: | 3-hydroxy-3-methylglutaryl CoA synthase, ACETOACETYL-COENZYME A, SULFATE ION | | Authors: | Theisen, M.J, Misra, I, Saadat, D, Campobasso, N, Miziorko, H.M, Harrison, D.H.T. | | Deposit date: | 2004-10-08 | | Release date: | 2004-11-02 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 3-hydroxy-3-methylglutaryl-CoA synthase intermediate complex observed in "real-time"
Proc.Natl.Acad.Sci.USA, 47, 2004
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