1KEP
| The crystal structure of dTDP-D-glucose 4,6-dehydratase (RmlB) from Streptococcus suis with dTDP-xylose bound | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, THYMIDINE-5'-DIPHOSPHO-BETA-D-XYLOSE, ... | Authors: | Allard, S.T.M, Beis, K, Giraud, M.-F, Hegeman, A.D, Gross, J.W, Whitfield, C, Graninger, M, Messner, P, Allen, A.G, Naismith, J.H. | Deposit date: | 2001-11-16 | Release date: | 2002-01-25 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Toward a structural understanding of the dehydratase mechanism. Structure, 10, 2002
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5CSE
| Streptavidin-S112Y-K121E Complexed with Palladium-Containing Biotin Ligand | Descriptor: | CHLORIDE ION, Streptavidin, chloro{di-tert-butyl[2-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)ethyl]-lambda~5~-phosphanyl}(1-phenylprop-1-ene-1,3-diyl-kappa~2~C~1~,C~3~)palladium | Authors: | Finke, A.D, Vera, L, Marsh, M, Chatterjee, A, Ward, T.R. | Deposit date: | 2015-07-23 | Release date: | 2015-11-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.792 Å) | Cite: | An enantioselective artificial Suzukiase based on the biotin-streptavidin technology. Chem Sci, 7, 2016
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8BGC
| Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with compound 2 (AA-CS-9-003) | Descriptor: | 5-[(phenylmethyl)amino]pyrimido[4,5-c]quinoline-8-carboxylic acid, Casein kinase II subunit alpha, SULFATE ION | Authors: | Kraemer, A, Axtman, A.D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2022-10-27 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of a Potent and Selective Naphthyridine-Based Chemical Probe for Casein Kinase 2. Acs Med.Chem.Lett., 14, 2023
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1M32
| Crystal Structure of 2-aminoethylphosphonate Transaminase | Descriptor: | 2-aminoethylphosphonate-pyruvate aminotransferase, PHOSPHATE ION, PHOSPHONOACETALDEHYDE, ... | Authors: | Chen, C.C.H, Zhang, H, Kim, A.D, Howard, A, Sheldrick, G.M, Mariano-Dunnaway, D, Herzberg, O. | Deposit date: | 2002-06-26 | Release date: | 2002-11-20 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Degradation Pathway of the Phosphonate Ciliatine: Crystal Structure of 2-Aminoethylphosphonate Transaminase Biochemistry, 41, 2002
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5AKC
| MutS in complex with the N-terminal domain of MutL - crystal form 2 | Descriptor: | DNA MISMATCH REPAIR PROTEIN MUTL, DNA MISMATCH REPAIR PROTEIN MUTS, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Groothuizen, F.S, Winkler, I, Cristovao, M, Fish, A, Winterwerp, H.H.K, Reumer, A, Marx, A.D, Hermans, N, Nicholls, R.A, Murshudov, G.N, Lebbink, J.H.G, Friedhoff, P, Sixma, T.K. | Deposit date: | 2015-03-03 | Release date: | 2015-07-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (6.6 Å) | Cite: | MutS/MutL crystal structure reveals that the MutS sliding clamp loads MutL onto DNA. Elife, 4, 2015
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5AKD
| MutS in complex with the N-terminal domain of MutL - crystal form 3 | Descriptor: | DNA MISMATCH REPAIR PROTEIN MUTL, DNA MISMATCH REPAIR PROTEIN MUTS, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Groothuizen, F.S, Winkler, I, Cristovao, M, Fish, A, Winterwerp, H.H.K, Reumer, A, Marx, A.D, Hermans, N, Nicholls, R.A, Murshudov, G.N, Lebbink, J.H.G, Friedhoff, P, Sixma, T.K. | Deposit date: | 2015-03-03 | Release date: | 2015-07-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (7.6 Å) | Cite: | MutS/MutL crystal structure reveals that the MutS sliding clamp loads MutL onto DNA. Elife, 4, 2015
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8B2T
| SARS-CoV-2 Main Protease (Mpro) in complex with nirmatrelvir alkyne | Descriptor: | 3C-like proteinase nsp5, Nirmatrelvir (reacted form) | Authors: | Owen, C.D, Crawshaw, A.D, Warren, A.J, Trincao, J, Zhao, Y, Brewitz, L, Malla, T.R, Salah, E, Petra, L, Strain-Damerell, C, Schofield, C.J, Walsh, M.A. | Deposit date: | 2022-09-14 | Release date: | 2023-02-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.893 Å) | Cite: | Alkyne Derivatives of SARS-CoV-2 Main Protease Inhibitors Including Nirmatrelvir Inhibit by Reacting Covalently with the Nucleophilic Cysteine. J.Med.Chem., 66, 2023
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5AKB
| MutS in complex with the N-terminal domain of MutL - crystal form 1 | Descriptor: | DNA MISMATCH REPAIR PROTEIN MUTL, DNA MISMATCH REPAIR PROTEIN MUTS, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Groothuizen, F.S, Winkler, I, Cristovao, M, Fish, A, Winterwerp, H.H.K, Reumer, A, Marx, A.D, Hermans, N, Nicholls, R.A, Murshudov, G.N, Lebbink, J.H.G, Friedhoff, P, Sixma, T.K. | Deposit date: | 2015-03-03 | Release date: | 2015-07-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (4.71 Å) | Cite: | MutS/MutL crystal structure reveals that the MutS sliding clamp loads MutL onto DNA. Elife, 4, 2015
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5D5S
| Crystal structure of methionine gamma-lyase from Citrobacter freundii, S339A mutant | Descriptor: | DI(HYDROXYETHYL)ETHER, Methionine gamma-lyase, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Revtovich, S.V, Nikulin, A.D, Anufrieva, N.V, Morozova, E.A, Demidkina, T.V. | Deposit date: | 2015-08-11 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The crystal structure of methionine gamma-lyase from Citrobacter freundii, S339A mutant To Be Published
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5DBV
| Structure of a C269A mutant of propionaldehyde dehydrogenase from the Clostridium phytofermentans fucose utilisation bacterial microcompartment | Descriptor: | ACETATE ION, Aldehyde Dehydrogenase, COENZYME A, ... | Authors: | Tuck, L.R, Altenbach, K, Ang, T.F, Crawshaw, A.D, Campopiano, D.J, Clarke, D.J, Marles-Wright, J. | Deposit date: | 2015-08-22 | Release date: | 2016-03-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Insight into Coenzyme A cofactor binding and the mechanism of acyl-transfer in an acylating aldehyde dehydrogenase from Clostridium phytofermentans. Sci Rep, 6, 2016
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1JKY
| Crystal Structure of the Anthrax Lethal Factor (LF): Wild-type LF Complexed with the N-terminal Sequence of MAPKK2 | Descriptor: | Lethal Factor, mitogen-activated protein kinase kinase 2 | Authors: | Pannifer, A.D, Wong, T.Y, Schwarzenbacher, R, Renatus, M, Petosa, C, Collier, R.J, Bienkowska, J, Lacy, D.B, Park, S, Leppla, S.H, Hanna, P, Liddington, R.C. | Deposit date: | 2001-07-13 | Release date: | 2001-11-07 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3.9 Å) | Cite: | Crystal structure of the anthrax lethal factor. Nature, 414, 2001
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1LN6
| STRUCTURE OF BOVINE RHODOPSIN (Metarhodopsin II) | Descriptor: | RETINAL, RHODOPSIN | Authors: | Choi, G, Landin, J, Galan, J.F, Birge, R.R, Albert, A.D, Yeagle, P.L. | Deposit date: | 2002-05-03 | Release date: | 2002-07-10 | Last modified: | 2024-10-16 | Method: | SOLUTION NMR | Cite: | Structural studies of metarhodopsin II, the activated form of the G-protein coupled receptor, rhodopsin. Biochemistry, 41, 2002
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1L5Y
| CRYSTAL STRUCTURE OF MG2+ / BEF3-BOUND RECEIVER DOMAIN OF SINORHIZOBIUM MELILOTI DCTD | Descriptor: | BERYLLIUM DIFLUORIDE, BERYLLIUM TETRAFLUORIDE ION, BERYLLIUM TRIFLUORIDE ION, ... | Authors: | Park, S, Meyer, M, Jones, A.D, Yennawar, H.P, Yennawar, N.H, Nixon, B.T. | Deposit date: | 2002-03-08 | Release date: | 2002-10-23 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Two-component signaling in the AAA + ATPase DctD: binding Mg2+ and BeF3- selects between alternate dimeric states of the receiver domain FASEB J., 16, 2002
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8C3E
| Engineered mini-protein LCB2 (blocking ligand of SARS-Cov-2 spike protein) | Descriptor: | Engineered protein LCB2, GLYCEROL | Authors: | Korban, S.A, Mikhailovskii, O.V, Luzik, D.A, Gurzhiy, V.V, Levkina, A.D, Kharkov, B.B, Skrynnikov, N.R. | Deposit date: | 2022-12-23 | Release date: | 2023-04-12 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Engineered mini-protein LCB2 (blocking ligand of SARS-Cov-2 spike protein) To Be Published
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5DRU
| Structure of His387Ala mutant of the propionaldehyde dehydrogenase from the Clostridium phytofermentans fucose utilisation bacterial microcompartment | Descriptor: | Aldehyde Dehydrogenase, SULFATE ION | Authors: | Tuck, L.R, Altenbach, K, Fu, A.T, Crawshaw, A.D, Campopiano, D.J, Clarke, D.J, Marles-Wright, J. | Deposit date: | 2015-09-16 | Release date: | 2016-03-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.083 Å) | Cite: | Insight into Coenzyme A cofactor binding and the mechanism of acyl-transfer in an acylating aldehyde dehydrogenase from Clostridium phytofermentans. Sci Rep, 6, 2016
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5E8N
| The structure of the TEIPP associated Trh4 peptide in complex with H-2D(b) | Descriptor: | Beta-2-microglobulin, Ceramide synthase 5, GLYCEROL, ... | Authors: | Hafstrand, I, Doorduijn, E, Duru, A.D, Buratto, J, Oliveira, C.C, Sandalova, T, van Hall, T, Achour, A. | Deposit date: | 2015-10-14 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | The MHC Class I Cancer-Associated Neoepitope Trh4 Linked with Impaired Peptide Processing Induces a Unique Noncanonical TCR Conformer. J Immunol., 196, 2016
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5BSY
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1KER
| The crystal structure of dTDP-D-glucose 4,6-dehydratase (RmlB) from Streptococcus suis with dTDP-D-glucose bound | Descriptor: | 2'DEOXY-THYMIDINE-5'-DIPHOSPHO-ALPHA-D-GLUCOSE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ... | Authors: | Allard, S.T.M, Beis, K, Giraud, M.-F, Hegeman, A.D, Gross, J.W, Whitfield, C, Graninger, M, Messner, P, Allen, A.G, Naismith, J.H. | Deposit date: | 2001-11-17 | Release date: | 2002-01-25 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Toward a structural understanding of the dehydratase mechanism. Structure, 10, 2002
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5ECE
| Tankyrase 1 with Phthalazinone 1 | Descriptor: | 1,2-ETHANEDIOL, 2-[4-[3-[(4-oxidanylidene-3~{H}-phthalazin-1-yl)methyl]phenyl]carbonylpiperazin-1-yl]pyridine-3-carbonitrile, ACETATE ION, ... | Authors: | Kazmirski, S.L, Johannes, J, Read, J.A, Howard, T, Larsen, N.A, Ferguson, A.D. | Deposit date: | 2015-10-20 | Release date: | 2015-11-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of AZ0108, an orally bioavailable phthalazinone PARP inhibitor that blocks centrosome clustering. Bioorg.Med.Chem.Lett., 25, 2015
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1MNB
| BIV TAT PEPTIDE (RESIDUES 68-81), NMR, MINIMIZED AVERAGE STRUCTURE | Descriptor: | BIV TAR RNA, BIV TAT PEPTIDE | Authors: | Puglisi, J.D, Chen, L, Blanchard, S, Frankel, A.D. | Deposit date: | 1996-07-25 | Release date: | 1997-01-27 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of a bovine immunodeficiency virus Tat-TAR peptide-RNA complex. Science, 270, 1995
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1N2W
| Solution Structure of 8OG:G mismatch containing duplex | Descriptor: | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*(8OG)P*GP*CP*G)-3' | Authors: | Thiviyanathan, V, Somasunderam, A.D, Hazra, T.K, Mitra, S, Gorenstein, D.G. | Deposit date: | 2002-10-24 | Release date: | 2002-11-13 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution Structure of a DNA Duplex Containing 8-Hydroxy-2'-Deoxyguanosine Opposite Deoxyguanosine J.Mol.Biol., 325, 2003
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5DSZ
| Gamma-subunit of the translation initiation factor 2 from S. solfataricus | Descriptor: | Translation initiation factor 2 subunit gamma | Authors: | Kravchenko, O.V, Nikonov, O.S, Stolboushkina, E.A, Nevskaya, N.A, Nikulin, A.D, Garber, M.B, Nikonov, S.V. | Deposit date: | 2015-09-17 | Release date: | 2016-08-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Gamma-subunit of the translation initiation factor 2 from S. solfataricus To Be Published
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5E1E
| Human JAK1 kinase in complex with compound 30 at 2.30 Angstroms resolution | Descriptor: | 6-chloro-2-(2-fluoro-4,5-dimethoxyphenyl)-N-(piperidin-4-ylmethyl)-3H-imidazo[4,5-b]pyridin-7-amine, DI(HYDROXYETHYL)ETHER, Tyrosine-protein kinase JAK1 | Authors: | Ferguson, A.D. | Deposit date: | 2015-09-29 | Release date: | 2015-11-25 | Last modified: | 2015-12-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Identification of azabenzimidazoles as potent JAK1 selective inhibitors. Bioorg.Med.Chem.Lett., 26, 2016
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1N6Q
| HIV-1 Reverse Transcriptase Crosslinked to pre-translocation AZTMP-terminated DNA (complex N) | Descriptor: | 5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*AP*(ATM))-3', 5'-D(*AP*T*GP*CP*AP*TP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3', MAGNESIUM ION, ... | Authors: | Sarafianos, S.G, Clark Jr, A.D, Das, K, Tuske, S, Birktoft, J.J, Ilankumaran, I, Ramesha, A.R, Sayer, J.M, Jerina, D.M, Boyer, P.L, Hughes, S.H, Arnold, E. | Deposit date: | 2002-11-11 | Release date: | 2003-01-14 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structures of HIV-1 Reverse Transcriptase with Pre- and Post-translocation AZTMP-terminated DNA Embo J., 21, 2002
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1N5Y
| HIV-1 Reverse Transcriptase Crosslinked to Post-Translocation AZTMP-Terminated DNA (Complex P) | Descriptor: | 5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(ATM))-3', 5'-D(*AP*TP*GP*C*TP*AP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3', MAGNESIUM ION, ... | Authors: | Sarafianos, S.G, Clark Jr, A.D, Das, K, Tuske, S, Birktoft, J.J, Ilankumaran, P, Ramesha, A.R, Sayer, J.M, Jerina, D.M, Boyer, P.L, Hughes, S.H, Arnold, E. | Deposit date: | 2002-11-07 | Release date: | 2003-01-28 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure of HIV-1 Reverse Transcriptase with Pre-Translocation and Post-Translocation AZTMP-Terminated DNA Embo J., 21, 2002
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