2K00
| |
2NNK
| Crystal structure analysis of HIV-1 protease mutant I84V with a inhibitor saquinavir | Descriptor: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, ACETIC ACID, CHLORIDE ION, ... | Authors: | Tie, Y, Kovalevsky, A.Y, Boross, P, Wang, Y.F, Ghosh, A.K, Tozser, J, Harrison, R.W, Weber, I.T. | Deposit date: | 2006-10-24 | Release date: | 2007-03-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Atomic resolution crystal structures of HIV-1 protease and mutants V82A and I84V with saquinavir. Proteins, 67, 2007
|
|
2V1V
| |
1BD6
| 7-FE FERREDOXIN FROM BACILLUS SCHLEGELII, NMR, MINIMIZED AVERAGE STRUCTURE | Descriptor: | 7-FE FERREDOXIN, FE3-S4 CLUSTER, IRON/SULFUR CLUSTER | Authors: | Aono, S, Bentrop, D, Bertini, I, Donaire, A, Luchinat, C, Niikura, Y, Rosato, A. | Deposit date: | 1998-05-06 | Release date: | 1998-06-17 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of the oxidized Fe7S8 ferredoxin from the thermophilic bacterium Bacillus schlegelii by 1H NMR spectroscopy. Biochemistry, 37, 1998
|
|
2NMY
| Crystal structure analysis of HIV-1 protease mutant V82A with a inhibitor saquinavir | Descriptor: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, CHLORIDE ION, PROTEASE, ... | Authors: | Tie, Y, Kovalevsky, A.Y, Boross, P, Wang, Y.F, Ghosh, A.K, Tozser, J, Harrison, R.W, Weber, I.T. | Deposit date: | 2006-10-23 | Release date: | 2007-03-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Atomic resolution crystal structures of HIV-1 protease and mutants V82A and I84V with saquinavir. Proteins, 67, 2007
|
|
5IF0
| |
2NLI
| Crystal Structure of the complex between L-lactate oxidase and a substrate analogue at 1.59 angstrom resolution | Descriptor: | FLAVIN MONONUCLEOTIDE, HYDROGEN PEROXIDE, LACTIC ACID, ... | Authors: | Furuichi, M, Suzuki, N, Balasundaresan, D, Yoshida, Y, Minagawa, H, Watanabe, Y, Kaneko, H, Waga, I, Kumar, P.K.R, Mizuno, H. | Deposit date: | 2006-10-20 | Release date: | 2007-10-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | X-ray structures of Aerococcus viridans lactate oxidase and its complex with D-lactate at pH 4.5 show an alpha-hydroxyacid oxidation mechanism J.Mol.Biol., 378, 2008
|
|
3FOM
| Crystal structure of the Class I MHC Molecule H-2Kwm7 with a Single Self Peptide IQQSIERL | Descriptor: | 8 residue synthetic peptide, Beta-2-microglobulin, CHLORIDE ION, ... | Authors: | Brims, D.R, Qian, J, Jarchum, I, Yamada, T, Mikesh, L, Palmieri, E, Lund, T, Hattori, M, Shabanowitz, J, Hunt, D.F, Ramagopal, U.A, Malashkevich, V.N, Almo, S.C, Nathenson, S.G, DiLorenzo, T.P. | Deposit date: | 2008-12-30 | Release date: | 2010-01-12 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Predominant occupation of the class I MHC molecule H-2Kwm7 with a single self-peptide suggests a mechanism for its diabetes-protective effect. Int.Immunol., 22, 2010
|
|
2MND
| Recognition complex of DNA d(CGACGCGTCG)2 with thiazotropsin B | Descriptor: | 5'-D(*CP*GP*AP*CP*GP*CP*GP*TP*CP*G)-3', thiazotropsin B | Authors: | Alniss, H.Y, Salvia, M.-V, Sadikov, M, Golovchenko, I, Anthony, N.G, Khalaf, A.I, Mackay, S.P, Suckling, C.J, Parkinson, J.A. | Deposit date: | 2014-04-03 | Release date: | 2014-07-30 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Recognition of the DNA minor groove by thiazotropsin analogues. Chembiochem, 15, 2014
|
|
2MNB
| Thiazotropsin B DNA recognition sequence d(CGACGCGTCG)2 | Descriptor: | 5'-D(*CP*GP*AP*CP*GP*CP*GP*TP*CP*G)-3' | Authors: | Alniss, H.Y, Salvia, M.-V, Sadikov, M, Golovchenko, I, Anthony, N.G, Khalaf, A.I, Mackay, S.P, Suckling, C.J, Parkinson, J.A. | Deposit date: | 2014-04-02 | Release date: | 2014-09-17 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Recognition of the DNA minor groove by thiazotropsin analogues. Chembiochem, 15, 2014
|
|
2MNE
| Recognition complex of DNA d(CGACTAGTCG)2 with thiazotropsin analogue AIK-18/51 | Descriptor: | 5'-D(*CP*GP*AP*CP*TP*AP*GP*TP*CP*G)-3', AIK-18/51 | Authors: | Alniss, H.Y, Salvia, M.-V, Sadikov, M, Golovchenko, I, Anthony, N.G, Khalaf, A.I, Mackay, S.P, Suckling, C.J, Parkinson, J.A. | Deposit date: | 2014-04-03 | Release date: | 2014-07-30 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Recognition of the DNA minor groove by thiazotropsin analogues. Chembiochem, 15, 2014
|
|
1ODN
| ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (OXYGEN-EXPOSED PRODUCT FROM ANAEROBIC AC-VINYLGLYCINE FE COMPLEX) | Descriptor: | 6-(5-AMINO-5-CARBOXY-PENTANOYLAMINO)-3-HYDROXYMETHYL-7-OXO-4-THIA-1-AZA-BICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, FE (II) ION, ISOPENICILLIN N SYNTHASE, ... | Authors: | Elkins, J.M, Rutledge, P.J, Burzlaff, N.I, Clifton, I.J, Adlington, R.M, Roach, P.L, Baldwin, J.E. | Deposit date: | 2003-02-19 | Release date: | 2003-06-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystallographic Studies on the Reaction of Isopenicillin N Synthase with an Unsaturated Substrate Analogue Org.Biomol.Chem., 1, 2003
|
|
2MW3
| Solution NMR structure of the lasso peptide streptomonomicin | Descriptor: | Lasso peptide | Authors: | Tietz, J.I, Zhu, L, Mitchell, D.A, Metelev, M, Melby, J.O, Blair, P.M, Livnat, I, Severinov, K. | Deposit date: | 2014-10-24 | Release date: | 2015-01-28 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Structure, bioactivity, and resistance mechanism of streptomonomicin, an unusual lasso Peptide from an understudied halophilic actinomycete. Chem.Biol., 22, 2015
|
|
6NBI
| Cryo-EM structure of parathyroid hormone receptor type 1 in complex with a long-acting parathyroid hormone analog and G protein | Descriptor: | CHOLESTEROL, Gs protein alpha subunit, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Zhao, L.-H, Ma, S, Sutkeviciute, I, Shen, D.-D, Zhou, X.E, de Waal, P.P, Li, C.-Y, Kang, Y, Clark, L.J, Jean-Alphonse, F.G, White, A.D, Xiao, K, Yang, D, Jiang, Y, Watanabe, T, Gardella, T.J, Melcher, K, Wang, M.-W, Vilardaga, J.-P, Xu, H.E, Zhang, Y. | Deposit date: | 2018-12-07 | Release date: | 2019-04-17 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structure and dynamics of the active human parathyroid hormone receptor-1. Science, 364, 2019
|
|
1ODM
| ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (ANAEROBIC AC-VINYLGLYCINE FE COMPLEX) | Descriptor: | DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-D-VINYLGLYCINE, FE (II) ION, ISOPENICILLIN N SYNTHASE, ... | Authors: | Elkins, J.M, Rutledge, P.J, Burzlaff, N.I, Clifton, I.J, Adlington, R.M, Roach, P.L, Baldwin, J.E. | Deposit date: | 2003-02-19 | Release date: | 2003-06-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Crystallographic Studies on the Reaction of Isopenicillin N Synthase with an Unsaturated Substrate Analogue Org.Biomol.Chem., 1, 2003
|
|
2K7P
| Filamin A Ig-like domains 16-17 | Descriptor: | Filamin-A | Authors: | Heikkinen, O.K, Kilpelainen, I, Koskela, H, Permi, P, Heikkinen, S, Ylanne, J. | Deposit date: | 2008-08-19 | Release date: | 2009-07-07 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Atomic structures of two novel immunoglobulin-like domain pairs in the actin cross-linking protein filamin J.Biol.Chem., 284, 2009
|
|
6NBH
| Cryo-EM structure of parathyroid hormone receptor type 1 in complex with a long-acting parathyroid hormone analog and G protein | Descriptor: | CHOLESTEROL, Gs protein alpha subunit, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Zhao, L.-H, Ma, S, Sutkeviciute, I, Shen, D.-D, Zhou, X.E, de Waal, P.P, Li, C.-Y, Kang, Y, Clark, L.J, Jean-Alphonse, F.G, White, A.D, Xiao, K, Yang, D, Jiang, Y, Watanabe, T, Gardella, T.J, Melcher, K, Wang, M.-W, Vilardaga, J.-P, Xu, H.E, Zhang, Y. | Deposit date: | 2018-12-07 | Release date: | 2019-04-17 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structure and dynamics of the active human parathyroid hormone receptor-1. Science, 364, 2019
|
|
3N7U
| NAD-dependent formate dehydrogenase from higher-plant Arabidopsis thaliana in complex with NAD and azide | Descriptor: | AZIDE ION, Formate dehydrogenase, GLYCEROL, ... | Authors: | Shabalin, I.G, Polyakov, K.M, Serov, A.E, Skirgello, O.E, Sadykhov, E.G, Dorovatovskiy, P.V, Tishkov, V.I, Popov, V.O. | Deposit date: | 2010-05-27 | Release date: | 2010-06-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of the apo and holo forms of NAD-dependent formate dehydrogenase from the higher-plant Arabidopsis Thaliana To be Published
|
|
5S4J
| PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with SF054 | Descriptor: | 6-chlorotetrazolo[1,5-b]pyridazine, Non-structural protein 3 | Authors: | Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F. | Deposit date: | 2020-11-02 | Release date: | 2021-01-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.124 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
|
|
4E1V
| X-RAY Structure of the Uridine Phosphorylase from Salmonella Typhimurium in Complex with 5-Fluorouracil at 2.15 A Resolution | Descriptor: | 1,2-ETHANEDIOL, 5-FLUOROURACIL, GLYCEROL, ... | Authors: | Lashkov, A.A, Sotnichenko, S.E, Prokofev, I.I, Gabdoulkhakov, A.G, Mikhailov, A.M. | Deposit date: | 2012-03-07 | Release date: | 2013-03-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | X-ray structure of Salmonella typhimurium uridine phosphorylase complexed with 5-fluorouracil and molecular modelling of the complex of 5-fluorouracil with uridine phosphorylase from Vibrio cholerae. Acta Crystallogr.,Sect.D, 68, 2012
|
|
2KKD
| NMR Structure of Ni Substitued Desulfovibrio vulgaris Rubredoxin | Descriptor: | NICKEL (II) ION, Rubredoxin | Authors: | Nunes, S.G, Volkman, B.F, Moura, J.J.G, Moura, I, Macedo, A.L, Markley, J.L, Duarte, I.C. | Deposit date: | 2009-06-18 | Release date: | 2009-12-22 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | An NMR structural study of nickel-substituted rubredoxin J.Biol.Inorg.Chem., 15, 2010
|
|
2AKR
| Structural basis of sulfatide presentation by mouse CD1d | Descriptor: | (15Z)-N-((1S,2R,3E)-2-HYDROXY-1-{[(3-O-SULFO-BETA-D-GALACTOPYRANOSYL)OXY]METHYL}HEPTADEC-3-ENYL)TETRACOS-15-ENAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zajonc, D.M, Halder, R, Wu, D, Maricic, I, Roy, K, Wong, C.-H, Kumar, V, Wilson, I.A. | Deposit date: | 2005-08-03 | Release date: | 2005-12-06 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for CD1d presentation of a sulfatide derived from myelin and its implications for autoimmunity J.Exp.Med., 202, 2005
|
|
2O95
| Crystal Structure of the Metal-Free Dimeric Human Mov34 MPN domain (residues 1-186) | Descriptor: | 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 26S proteasome non-ATPase regulatory subunit 7, DODECAETHYLENE GLYCOL, ... | Authors: | Sanches, M, Alves, B.S.C, Zanchin, N.I.T, Guimaraes, B.G. | Deposit date: | 2006-12-13 | Release date: | 2007-07-17 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The Crystal Structure of the Human Mov34 MPN Domain Reveals a Metal-free Dimer J.Mol.Biol., 370, 2007
|
|
2K70
| Solution structures of copper loaded form PCuA (cis conformation of the peptide bond involving the nitrogen of P14) | Descriptor: | COPPER (I) ION, Putative uncharacterized protein TTHA1943 | Authors: | Abriata, L.A, Banci, L, Bertini, I, Ciofi-Baffoni, S, Gkazonis, P.A, Spyroulias, G.A, Vila, A.J, Wang, S. | Deposit date: | 2008-07-29 | Release date: | 2008-09-09 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Mechanism of Cu(A) assembly. Nat.Chem.Biol., 4, 2008
|
|
5S4I
| PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with SF051 | Descriptor: | (5S)-1-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione, Non-structural protein 3 | Authors: | Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F. | Deposit date: | 2020-11-02 | Release date: | 2021-01-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.131 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
|
|