4LX5
 
 | | X-ray crystal structure of the M6" riboswitch aptamer bound to pyrimido[4,5-d]pyrimidine-2,4-diamine (PPDA) | | Descriptor: | MAGNESIUM ION, Mutated adenine riboswitch aptamer, pyrimido[4,5-d]pyrimidine-2,4-diamine | | Authors: | Dunstan, M.S, Leys, D. | | Deposit date: | 2013-07-29 | | Release date: | 2014-07-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Modular riboswitch toolsets for synthetic genetic control in diverse bacterial species.
J.Am.Chem.Soc., 136, 2014
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4EAI
 | | Co-crystal structure of an AMPK core with AMP | | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-2, 5'-AMP-activated protein kinase subunit gamma-1, ... | | Authors: | Chen, L, Wang, J, Zhang, Y.-Y, Yan, S.F, Neumann, D, Schlattner, U, Wang, Z.-X, Wu, J.-W. | | Deposit date: | 2012-03-22 | | Release date: | 2012-06-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.285 Å) | | Cite: | AMP-activated protein kinase undergoes nucleotide-dependent conformational changes
Nat.Struct.Mol.Biol., 19, 2012
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4E48
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4M06
 | | Crystal Structure of Mutant Chlorite Dismutase from Candidatus Nitrospira defluvii W145F in Complex with Cyanide | | Descriptor: | 1,2-ETHANEDIOL, CYANIDE ION, Chlorite dismutase, ... | | Authors: | Hagmueller, A, Gysel, K, Djinovic-Carugo, K. | | Deposit date: | 2013-08-01 | | Release date: | 2014-01-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Manipulating conserved heme cavity residues of chlorite dismutase: effect on structure, redox chemistry, and reactivity.
Biochemistry, 53, 2014
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4EMY
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4EAK
 | | Co-crystal structure of an AMPK core with ATP | | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, ... | | Authors: | Chen, L, Wang, J, Zhang, Y.-Y, Yan, S.F, Neumann, D, Schlattner, U, Wang, Z.-X, Wu, J.-W. | | Deposit date: | 2012-03-22 | | Release date: | 2012-06-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | AMP-activated protein kinase undergoes nucleotide-dependent conformational changes
Nat.Struct.Mol.Biol., 19, 2012
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4ESK
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7AAZ
 | | Crystal structure of MerTK in complex with a type 1.5 aminopyridine inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 2-azanyl-~{N}-[(1~{S},2~{S})-2-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide, CHLORIDE ION, ... | | Authors: | Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Overman, R.C, Rawlins, P.B, Truman, C, Underwood, E, Warwicker, J, Winter-Holt, J. | | Deposit date: | 2020-09-05 | | Release date: | 2020-11-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.855 Å) | | Cite: | A-loop interactions in Mer tyrosine kinase give rise to inhibitors with two-step mechanism and long residence time of binding.
Biochem.J., 477, 2020
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4EW1
 | | High resolution structure of human glycinamide ribonucleotide transformylase in apo form. | | Descriptor: | PHOSPHATE ION, SULFATE ION, Trifunctional purine biosynthetic protein adenosine-3 | | Authors: | Connelly, S, DeMartino, K, Boger, D.L, Wilson, I.A. | | Deposit date: | 2012-04-26 | | Release date: | 2013-07-31 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.522 Å) | | Cite: | Biological and Structural Evaluation of 10R- and 10S-Methylthio-DDACTHF Reveals a New Role for Sulfur in Inhibition of Glycinamide Ribonucleotide Transformylase.
Biochemistry, 52, 2013
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4LKO
 | | Crystal structure of human DPP-IV in complex with BMS-744891 | | Descriptor: | 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one, Dipeptidyl peptidase 4 | | Authors: | Klei, H.E. | | Deposit date: | 2013-07-08 | | Release date: | 2013-09-04 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Optimization of Activity, Selectivity, and Liability Profiles in 5-Oxopyrrolopyridine DPP4 Inhibitors Leading to Clinical Candidate (Sa)-2-(3-(Aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5H-pyrrolo[3,4-b]pyridin-6(7H)-yl)-N,N-dimethylacetamide (BMS-767778).
J.Med.Chem., 56, 2013
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4EY3
 | | Crystal structure of solute binding protein of ABC transporter in complex with p-hydroxybenzoic acid | | Descriptor: | P-HYDROXYBENZOIC ACID, Twin-arginine translocation pathway signal | | Authors: | Chang, C, Mack, J, Zerbs, S, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2012-05-01 | | Release date: | 2012-05-30 | | Last modified: | 2012-10-24 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Characterization of transport proteins for aromatic compounds derived from lignin: benzoate derivative binding proteins.
J.Mol.Biol., 423, 2012
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4LML
 | | GLIC double mutant I9'A T25'A | | Descriptor: | Proton-gated ion channel | | Authors: | Grosman, C, Gonzalez-Gutierrez, G. | | Deposit date: | 2013-07-10 | | Release date: | 2013-10-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Gating of the proton-gated ion channel from Gloeobacter violaceus at pH 4 as revealed by X-ray crystallography.
Proc.Natl.Acad.Sci.USA, 110, 2013
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6ZRT
 | | Crystal structure of SARS CoV2 main protease in complex with inhibitor Telaprevir | | Descriptor: | (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, DIMETHYL SULFOXIDE, Main Protease | | Authors: | Oerlemans, R, Wang, W, Lunev, S, Domling, A, Groves, M.R. | | Deposit date: | 2020-07-14 | | Release date: | 2020-08-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Repurposing the HCV NS3-4A protease drug boceprevir as COVID-19 therapeutics.
Rsc Med Chem, 12, 2020
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7TTM
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4M09
 | | Crystal Structure of Mutant Chlorite Dismutase from Candidatus Nitrospira defluvii W146Y R173Q | | Descriptor: | 1,2-ETHANEDIOL, Chlorite dismutase, IMIDAZOLE, ... | | Authors: | Gysel, K, Hagmueller, A, Djinovic-Carugo, K. | | Deposit date: | 2013-08-01 | | Release date: | 2014-01-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Manipulating conserved heme cavity residues of chlorite dismutase: effect on structure, redox chemistry, and reactivity.
Biochemistry, 53, 2014
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4M7S
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4LNY
 | | Crystal Structure of Engineered Protein, Northeast Structural Genomics Consortium Target OR422 | | Descriptor: | CADMIUM ION, CHLORIDE ION, Engineered Protein OR422 | | Authors: | Vorobiev, S, Su, M, Bjelic, S, Kipnis, Y, Wang, L, Sahdev, S, Xiao, R, Maglaqui, M, Kogan, S, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2013-07-12 | | Release date: | 2013-08-07 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.929 Å) | | Cite: | Crystal Structure of Engineered Protein OR422.
To be Published
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4LLL
 | | Crystal structure of S. aureus MepR-DNA complex | | Descriptor: | MepR, Palindromized mepR operator sequence | | Authors: | Birukou, I, Brennan, R.G. | | Deposit date: | 2013-07-09 | | Release date: | 2014-05-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.036 Å) | | Cite: | Structural mechanism of transcription regulation of the Staphylococcus aureus multidrug efflux operon mepRA by the MarR family repressor MepR.
Nucleic Acids Res., 42, 2014
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4LCO
 | | Crystal structure of NE0047 with complex with substrate ammeline | | Descriptor: | 4,6-diamino-1,3,5-triazin-2-ol, Cytidine and deoxycytidylate deaminase zinc-binding region, ZINC ION | | Authors: | Bitra, A, Biswas, A, Anand, R. | | Deposit date: | 2013-06-22 | | Release date: | 2014-01-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis of the substrate specificity of cytidine deaminase superfamily Guanine deaminase
Biochemistry, 52, 2013
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4LCP
 | | Crytsal structure of NE0047 in complex with 2,6-diaminopurine | | Descriptor: | 9H-PURINE-2,6-DIAMINE, Cytidine and deoxycytidylate deaminase zinc-binding region, ZINC ION | | Authors: | Bitra, A, Biswas, A, Anand, R. | | Deposit date: | 2013-06-22 | | Release date: | 2014-01-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis of the substrate specificity of cytidine deaminase superfamily Guanine deaminase
Biochemistry, 52, 2013
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7OYF
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7OYH
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4L5W
 | | Structural implications of the secondary CO2 binding pocket in human carbonic anhydrase II | | Descriptor: | Carbonic anhydrase 2, GLYCEROL, ZINC ION | | Authors: | Boone, C.D, Gill, S, McKenna, R. | | Deposit date: | 2013-06-11 | | Release date: | 2014-04-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural, catalytic and stabilizing consequences of aromatic cluster variants in human carbonic anhydrase II.
Arch.Biochem.Biophys., 539, 2013
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4L7W
 | | Crystal structure mutant H77A of human HD domain-containing protein 2, Genomics Consortium (NESG) Target HR6723 | | Descriptor: | HD domain-containing protein 2, MAGNESIUM ION | | Authors: | Kuzin, A, Su, M, Yakunin, A, Beloglazova, N, Seetharaman, J, Maglaqui, M, Xiao, R, Lee, D, Brown, G, Flick, R, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2013-06-14 | | Release date: | 2013-07-03 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.305 Å) | | Cite: | Northeast Structural Genomics Consortium Target HR6723
To be Published
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7TJC
 | | VHH Chl-B2 in complex with Chloramphenicol | | Descriptor: | CHLORAMPHENICOL, GLYCEROL, VHH-Chl-B2 | | Authors: | Nordeen, S.A, Schwartz, T.U. | | Deposit date: | 2022-01-16 | | Release date: | 2022-11-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structure and specificity of an anti-chloramphenicol single domain antibody for detection of amphenicol residues.
Protein Sci., 31, 2022
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