4BCG
 
 | | Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine inhibitor | | Descriptor: | 2-[[3-(1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile, CYCLIN-DEPENDENT KINASE 9, CYCLIN-T1, ... | | Authors: | Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M. | | Deposit date: | 2012-10-02 | | Release date: | 2013-04-17 | | Last modified: | 2019-05-15 | | Method: | X-RAY DIFFRACTION (3.085 Å) | | Cite: | Substituted 4-(Thiazol-5-Yl)-2-(Phenylamino)Pyrimidines are Highly Active Cdk9 Inhibitors: Synthesis, X-Ray Crystal Structure, Sar and Anti-Cancer Activities.
J.Med.Chem., 56, 2013
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4BCO
 | | Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor | | Descriptor: | 2-[[3-(4-ethanoyl-1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2, ... | | Authors: | Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M. | | Deposit date: | 2012-10-02 | | Release date: | 2013-01-09 | | Last modified: | 2013-02-27 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Comparative Structural and Functional Studies of 4-(Thiazol- 5-Yl)-2-(Phenylamino)Pyrimidine-5-Carbonitrile Cdk9 Inhibitors Suggest the Basis for Isotype Selectivity.
J.Med.Chem., 56, 2013
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4C7H
 | | Leismania major N-myristoyltransferase in complex with a peptidomimetic (-NH2) molecule | | Descriptor: | COENZYME A, DIMETHYL SULFOXIDE, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, ... | | Authors: | Olaleye, T.O, Brannigan, J.A, Goncalves, V, Roberts, S.M, Leatherbarrow, R.J, Wilkinson, A.J, Tate, E.W. | | Deposit date: | 2013-09-20 | | Release date: | 2014-09-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Peptidomimetic Inhibitors of N-Myristoyltransferase from Human Malaria and Leishmaniasis Parasites.
Org.Biomol.Chem., 12, 2014
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4C3D
 | | HRSV M2-1, P422 crystal form | | Descriptor: | CADMIUM ION, MATRIX M2-1 | | Authors: | Tanner, S.J, Ariza, A, Richard, C.A, Wu, W, Trincao, J, Hiscox, J.A, Carroll, M.W, Silman, N.J, Eleouet, J.F, Edwards, T.A, Barr, J.N. | | Deposit date: | 2013-08-22 | | Release date: | 2014-01-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Crystal Structure of the Essential Transcription Antiterminator M2-1 Protein of Human Respiratory Syncytial Virus and Implications of its Phosphorylation.
Proc.Natl.Acad.Sci.USA, 111, 2014
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3Q4D
 | | Crystal structure of dipeptide epimerase from Cytophaga hutchinsonii complexed with Mg and dipeptide D-Ala-L-Ala | | Descriptor: | ALANINE, D-ALANINE, MAGNESIUM ION, ... | | Authors: | Lukk, T, Gerlt, J.A, Nair, S.K. | | Deposit date: | 2010-12-23 | | Release date: | 2011-02-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4C3B
 | | HRSV M2-1, P21 crystal form | | Descriptor: | MATRIX PROTEIN 2-1, ZINC ION | | Authors: | Tanner, S.J, Ariza, A, Richard, C.A, Wu, W, Trincao, J, Hiscox, J.A, Carroll, M.W, Silman, N.J, Eleouet, J.F, Edwards, T.A, Barr, J.N. | | Deposit date: | 2013-08-22 | | Release date: | 2014-01-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Crystal Structure of the Essential Transcription Antiterminator M2-1 Protein of Human Respiratory Syncytial Virus and Implications of its Phosphorylation.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4KWS
 | | Crystal structure of d-mannonate dehydratase from chromohalobacter salexigens complexed with Mg and glycerol | | Descriptor: | CHLORIDE ION, D-mannonate dehydratase, GLYCEROL, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Wichelecki, D, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2013-05-24 | | Release date: | 2014-05-28 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.642 Å) | | Cite: | Crystal structure of d-mannonate dehydratase from chromohalobacter salexigens complexed with Mg and glycerol
To be Published
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4C68
 | | Plasmodium vivax N-myristoyltransferase in complex with a peptidomimetic inhibitor | | Descriptor: | 2-oxopentadecyl-CoA, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Olaleye, T.O, Brannigan, J.A, Goncalves, V, Roberts, S.M, Leatherbarrow, R.J, Wilkinson, A.J, Tate, E.W. | | Deposit date: | 2013-09-17 | | Release date: | 2014-09-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Peptidomimetic Inhibitors of N-Myristoyltransferase from Human Malaria and Leishmaniasis Parasites.
Org.Biomol.Chem., 12, 2014
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3PND
 | | FAD binding by ApbE protein from Salmonella enterica: a new class of FAD binding proteins | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, Thiamine biosynthesis lipoprotein ApbE | | Authors: | Boyd, J.M, Endrizzi, J.A, Hamilton, T.L, Christopherson, M.R, Mulder, D.W, Downs, D.M, Peters, J.W. | | Deposit date: | 2010-11-18 | | Release date: | 2011-01-05 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | FAD binding by ApbE protein from Salmonella enterica: a new class of FAD-binding proteins.
J.Bacteriol., 193, 2011
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1Q2O
 | | Bovine endothelial nitric oxide synthase N368D mutant heme domain dimer with L-N(omega)-nitroarginine-2,4-L-diaminobutyramide bound | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, CACODYLATE ION, ... | | Authors: | Flinspach, M.L, Li, H, Jamal, J, Yang, W, Huang, H, Hah, J.M, Gomez-Vidal, J.A, Litzinger, E.A, Silverman, R.B, Poulos, T.L. | | Deposit date: | 2003-07-25 | | Release date: | 2004-01-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Structural basis for dipeptide amide isoform-selective inhibition of neuronal nitric oxide synthase.
Nat.Struct.Mol.Biol., 11, 2004
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4L71
 | | Crystal Structure of Frameshift Suppressor tRNA SufA6 Bound to Codon CCC-A on the Ribosome | | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Maehigashi, T, Dunkle, J.A, Dunham, C.M. | | Deposit date: | 2013-06-13 | | Release date: | 2014-08-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.900001 Å) | | Cite: | Structural insights into +1 frameshifting promoted by expanded or modification-deficient anticodon stem loops.
Proc.Natl.Acad.Sci.USA, 111, 2014
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1DE9
 | | HUMAN APE1 ENDONUCLEASE WITH BOUND ABASIC DNA AND MN2+ ION | | Descriptor: | 5'-d(*CP*TP*AP*C)-3', 5'-d(*GP*AP*TP*CP*GP*GP*TP*AP*G)-3', 5'-d(P*(3DR)P*GP*AP*TP*C)-3', ... | | Authors: | Mol, C.D, Izumi, T, Mitra, S, Tainer, J.A. | | Deposit date: | 1999-11-13 | | Release date: | 2000-02-02 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | DNA-bound structures and mutants reveal abasic DNA binding by APE1 and DNA repair coordination
Nature, 403, 2000
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1DEW
 | | CRYSTAL STRUCTURE OF HUMAN APE1 BOUND TO ABASIC DNA | | Descriptor: | 5'-D(*GP*CP*GP*TP*CP*CP*(3DR)P*CP*GP*AP*CP*GP*AP*CP*G)-3', 5'-D(*GP*TP*CP*GP*TP*CP*GP*GP*GP*GP*AP*CP*GP*C)-3', MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASE, ... | | Authors: | Mol, C.D, Izumi, T, Mitra, S, Tainer, J.A. | | Deposit date: | 1999-11-15 | | Release date: | 2000-02-02 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | DNA-bound structures and mutants reveal abasic DNA binding by APE1 and DNA repair coordination
Nature, 403, 2000
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4CHU
 | | E. coli IscR-DNA complex | | Descriptor: | HTH-TYPE TRANSCRIPTIONAL REGULATOR ISCR, HYA PROMOTER FRAGMENT | | Authors: | Santos, J.A, Macedo-Ribeiro, S, Pereira, P.J.B. | | Deposit date: | 2013-12-04 | | Release date: | 2014-05-28 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.489 Å) | | Cite: | The Unique Regulation of Iron-Sulfur Cluster Biogenesis in a Gram-Positive Bacterium.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4CGZ
 | | Crystal structure of the Bloom's syndrome helicase BLM in complex with DNA | | Descriptor: | 5'-D(*AP*GP*CP*GP*TP*CP*GP*AP*GP*AP*TP*CP)-3', 5'-D(*GP*AP*TP*CP*TP*CP*GP*AP*CP*GP*CP*TP*CP*DT *CP*CP*CP)-3', ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Newman, J.A, Savitsky, P, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2013-11-27 | | Release date: | 2013-12-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystal Structure of the Bloom'S Syndrome Helicase Indicates a Role for the Hrdc Domain in Conformational Changes.
Nucleic Acids Res., 43, 2015
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4CSP
 | | Structure of the F306C mutant of nitrite reductase from Achromobacter xylosoxidans | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, COPPER (II) ION, DISSIMILATORY COPPER-CONTAINING NITRITE REDUCTASE, ... | | Authors: | Leferink, N.G.H, Antonyuk, S.V, Houwman, J.A, Scrutton, N.S, REady, R, Hasnain, S.S. | | Deposit date: | 2014-03-09 | | Release date: | 2014-07-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Impact of Residues Remote from the Catalytic Centre on Enzyme Catalysis of Copper Nitrite Reductase.
Nat.Commun., 5, 2014
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4L8E
 | | Crystal structure of a glutathione transferase family member from xenorhabdus nematophila, target efi-507418, with two gsh per subunit | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUTATHIONE, ... | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-06-17 | | Release date: | 2013-06-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of a glutathione transferase family member from xenorhabdus nematophila, target efi-507418, with two gsh per subunit
To be published
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4L8G
 | | Crystal Structure of K-Ras G12C, GDP-bound | | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M. | | Deposit date: | 2013-06-17 | | Release date: | 2013-11-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.521 Å) | | Cite: | K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
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1LK6
 | | Structure of dimeric antithrombin complexed with a P14-P9 reactive loop peptide and an exogenous tripeptide | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | Zhou, A, Huntington, J.A, Lomas, D.A, Carrell, R.W, Stein, P.E. | | Deposit date: | 2002-04-24 | | Release date: | 2003-06-03 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Serpin Polymerization Is Prevented by a Hydrogen Bond Network That Is Centered on His-334 and Stabilized by Glycerol
J.Biol.Chem., 278, 2003
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4LB0
 | | Crystal structure of a hydroxyproline epimerase from agrobacterium vitis, target efi-506420, with bound trans-4-oh-l-proline | | Descriptor: | 4-HYDROXYPROLINE, ACETATE ION, Uncharacterized protein | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Glenn, A.S, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-06-20 | | Release date: | 2013-07-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of a hydroxyproline epimerase from agrobacterium vitis, target efi-506420, with bound trans-4-oh-l-proline
To be Published
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4LC6
 | | Crystal structure of the mutant H128Q of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with the inhibitor BMP | | Descriptor: | 6-HYDROXYURIDINE-5'-PHOSPHATE, CHLORIDE ION, Orotidine 5'-phosphate decarboxylase, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Desai, B, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2013-06-21 | | Release date: | 2013-07-03 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | Crystal structure of the mutant H128Q of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with the inhibitor BMP
To be Published
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1LQ1
 | | DNA Complexed Structure of the Key Transcription Factor Initiating Development in Sporulation Bacteria | | Descriptor: | 5'-D(*AP*CP*AP*AP*AP*AP*TP*TP*CP*GP*AP*CP*AP*CP*GP*A)-3', 5'-D(*TP*TP*CP*GP*TP*GP*TP*CP*GP*AP*AP*TP*TP*TP*TP*G)-3', Stage 0 sporulation protein A | | Authors: | Zhao, H, Msadek, T, Zapf, J, Madhusudan, Hoch, J.A, Varughese, K.I. | | Deposit date: | 2002-05-08 | | Release date: | 2002-08-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | DNA complexed structure of the key transcription factor initiating development in sporulating bacteria.
Structure, 10, 2002
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1M4B
 | | Crystal Structure of Human Interleukin-2 K43C Covalently Modified at C43 with 2-[2-(2-Cyclohexyl-2-guanidino-acetylamino)-acetylamino]-N-(3-mercapto-propyl)-propionamide | | Descriptor: | 2-[2-(2-CYCLOHEXYL-2-GUANIDINO-ACETYLAMINO)-ACETYLAMINO]-N-(3-MERCAPTO-PROPYL)-PROPIONAMIDE, interleukin-2 | | Authors: | Arkin, M.A, Randal, M, DeLano, W.L, Hyde, J, Luong, T.N, Oslob, J.D, Raphael, D.R, Taylor, L, Wang, J, McDowell, R.S, Wells, J.A, Braisted, A.C. | | Deposit date: | 2002-07-02 | | Release date: | 2002-07-31 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Binding of small molecules to an adaptive
protein-protein interface
Proc.Natl.Acad.Sci.USA, 100, 2003
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4CHX
 | | Crystal structure of MltC in complex with disaccharide pentapeptide DHl89 | | Descriptor: | 2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Membrane-bound lytic murein transglycosylase C, ... | | Authors: | Artola-Recolons, C, Bernardo-Garcia, N, Hermoso, J.A. | | Deposit date: | 2013-12-04 | | Release date: | 2014-07-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structure and Cell Wall Cleavage by Modular Lytic Transglycosylase Mltc of Escherichia Coli.
Acs Chem.Biol., 9, 2014
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4KZE
 | | Crystal structure of an RNA aptamer in complex with Fab | | Descriptor: | BL3-6 Fab antibody, heavy chain, light chain, ... | | Authors: | Huang, H, Suslov, N.B, Li, N, Koldobskaya, Y, Rice, P.A, Piccirilli, J.A. | | Deposit date: | 2013-05-29 | | Release date: | 2014-06-18 | | Last modified: | 2014-07-30 | | Method: | X-RAY DIFFRACTION (2.404 Å) | | Cite: | A G-quadruplex-containing RNA activates fluorescence in a GFP-like fluorophore.
Nat.Chem.Biol., 10, 2014
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