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3DFP	Phosphate ions in D33N mutant fructose-1,6-bisphosphate aldolase from rabbit muscle Descriptor: Fructose-bisphosphate aldolase A, PHOSPHATE ION Authors: St-Jean, M, Sygusch, J. Deposit date: 2008-06-12 Release date: 2009-04-28 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.05 Å) Cite: Charge stabilization and entropy reduction of central lysine residues in fructose-bisphosphate aldolase Biochemistry, 48, 2009
3LZL	Crystal Structure Analysis of the as-solated P19 protein from Campylobacter jejuni at 1.45 A at pH 9.0 Descriptor: COPPER (II) ION, P19 protein, SULFATE ION Authors: Doukov, T.I, Chan, A.C.K, Scofield, M, Ramin, A.B, Tom-Yew, S.A.L, Murphy, M.E.P. Deposit date: 2010-03-01 Release date: 2010-07-21 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Structure and Function of P19, a High-Affinity Iron Transporter of the Human Pathogen Campylobacter jejuni. J.Mol.Biol., 401, 2010
3DNB	HELIX GEOMETRY, HYDRATION, AND G.A MISMATCH IN A B-DNA DECAMER Descriptor: DNA (5'-D(*CP*CP*AP*AP*GP*AP*TP*TP*GP*G)-3'), MAGNESIUM ION Authors: Prive, G.G, Dickerson, R.E. Deposit date: 1988-03-18 Release date: 1989-01-09 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Structure of the B-DNA decamer C-C-A-A-C-G-T-T-G-G and comparison with isomorphous decamers C-C-A-A-G-A-T-T-G-G and C-C-A-G-G-C-C-T-G-G. J.Mol.Biol., 217, 1991
3LZT	REFINEMENT OF TRICLINIC LYSOZYME AT ATOMIC RESOLUTION Descriptor: ACETATE ION, LYSOZYME, NITRATE ION Authors: Walsh, M.A, Schneider, T, Sieker, L.C, Dauter, Z, Lamzin, V, Wilson, K.S. Deposit date: 1997-03-23 Release date: 1998-03-25 Last modified: 2024-10-09 Method: X-RAY DIFFRACTION (0.925 Å) Cite: Refinement of triclinic hen egg-white lysozyme at atomic resolution. Acta Crystallogr.,Sect.D, 54, 1998
3DNG	Crystal structure of the complex between MMP-8 and a non-zinc chelating inhibitor Descriptor: (5S)-5-(2-amino-2-oxoethyl)-4-oxo-N-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)methyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine-2-carboxamide, CALCIUM ION, Neutrophil collagenase, ... Authors: Pochetti, G, Montanari, R, Mazza, F. Deposit date: 2008-07-02 Release date: 2009-03-03 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2 Å) Cite: Extra Binding Region Induced by Non-Zinc Chelating Inhibitors into the S(1)' Subsite of Matrix Metalloproteinase 8 (MMP-8) J.Med.Chem., 52, 2009
3MR2	Human DNA polymerase eta in complex with normal DNA and incoming nucleotide (Nrm) Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, DNA (5'-D(*T*CP*AP*TP*TP*AP*TP*GP*AP*CP*GP*CP*T)-3'), DNA (5'-D(*TP*AP*GP*CP*GP*TP*CP*AP*T)-3'), ... Authors: Biertumpfel, C, Zhao, Y, Ramon-Maiques, S, Gregory, M.T, Lee, J.Y, Yang, W. Deposit date: 2010-04-28 Release date: 2010-06-30 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.83 Å) Cite: Structure and mechanism of human DNA polymerase eta. Nature, 465, 2010
3DNU	structure of MDT protein Descriptor: CHLORIDE ION, PHOSPHATE ION, Protein hipA Authors: schumacher, M.A. Deposit date: 2008-07-02 Release date: 2009-01-27 Last modified: 2021-10-20 Method: X-RAY DIFFRACTION (1.54 Å) Cite: Molecular mechanisms of HipA-mediated multidrug tolerance and its neutralization by HipB. Science, 323, 2009
3DIM	Crystallization of the Thermotoga maritima lysine riboswitch bound to lysine, Cs+ Soak Descriptor: CESIUM ION, ISOPROPYL ALCOHOL, LYSINE, ... Authors: Serganov, A.A. Deposit date: 2008-06-20 Release date: 2008-09-16 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Structural insights into amino acid binding and gene control by a lysine riboswitch. Nature, 455, 2008
4KIQ	Crystal structure of mitogen-activated protein kinase 14 (P38-H5) complex with ETHYL 6-((5-(CYCLOPROPYLCARBAMOYL)-2-METHYLPHENYL)CARBAMOYL)-1H-INDOLE-1-CARBOXYLATE Descriptor: Mitogen-activated protein kinase 14, ethyl 6-{[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl}-1H-indole-1-carboxylate Authors: Sack, J.S, Tokarski, J.S. Deposit date: 2013-05-02 Release date: 2013-06-12 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.5 Å) Cite: The Identification of Novel P38-Alpha Isoform Selective Kinase Inhibitors Having an Unprecedented P38-Alpha Binding Mode Bioorg.Med.Chem.Lett., 23, 2013
3M9V	X-ray Structure of a KijD3 in Complex with dTDP Descriptor: FAD-dependent oxidoreductase, THYMIDINE-5'-DIPHOSPHATE Authors: Bruender, N.A, Thoden, J.B, Holden, H.M. Deposit date: 2010-03-22 Release date: 2010-04-07 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.05 Å) Cite: X-ray structure of kijd3, a key enzyme involved in the biosynthesis of D-kijanose. Biochemistry, 49, 2010
3DIW	c-terminal beta-catenin bound TIP-1 structure Descriptor: Tax1-binding protein 3, decameric peptide form Catenin beta-1 Authors: Shen, Y. Deposit date: 2008-06-21 Release date: 2008-10-21 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Structural Basis of beta-Catenin Recognition by Tax-interacting Protein-1 J.Mol.Biol., 384, 2008
4KJZ	Crystal Structure of Thermus Thermophilus IF2, Apo and GDP-bound Forms (2-474) Descriptor: GUANOSINE-5'-DIPHOSPHATE, Translation initiation factor IF-2 Authors: Eiler, D.R, Lin, J, Steitz, T.A. Deposit date: 2013-05-04 Release date: 2013-09-11 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Initiation factor 2 crystal structure reveals a different domain organization from eukaryotic initiation factor 5B and mechanism among translational GTPases. Proc.Natl.Acad.Sci.USA, 110, 2013
4UH5	Structure of human nNOS R354A G357D mutant heme domain in complex with N1-(5-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)-N1,N2- dimethylethane-1,2-diamine Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORIDE ION, N1-(5-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)-N1,N2-dimethylethane-1,2-diamine, ... Authors: Li, H, Poulos, T.L. Deposit date: 2015-03-23 Release date: 2015-07-15 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.983 Å) Cite: 2-Aminopyridines with a Truncated Side Chain to Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity. J.Med.Chem., 58, 2015
3D9K	Snapshots of the RNA processing factor SCAF8 bound to different phosphorylated forms of the Carboxy-Terminal Domain of RNA-Polymerase II Descriptor: CTD-PEPTIDE, RNA-binding protein 16, SULFATE ION Authors: Becker, R, Loll, B, Meinhart, A. Deposit date: 2008-05-27 Release date: 2008-06-10 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Snapshots of the RNA Processing Factor SCAF8 Bound to Different Phosphorylated Forms of the Carboxyl-terminal Domain of RNA Polymerase II. J.Biol.Chem., 283, 2008
5ZVV	Structure of SeMet-phAimR Descriptor: AimR transcriptional regulator, GLYCEROL Authors: Cheng, W, Dou, C. Deposit date: 2018-05-13 Release date: 2018-09-05 Last modified: 2019-03-13 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Structural and functional insights into the regulation of the lysis-lysogeny decision in viral communities. Nat Microbiol, 3, 2018
3DJ2	Crystallization of the Thermotoga maritima lysine riboswitch bound to lysine, Tl+ Soak Descriptor: ISOPROPYL ALCOHOL, LYSINE, RNA (174-MER), ... Authors: Serganov, A.A. Deposit date: 2008-06-21 Release date: 2008-09-16 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Structural insights into amino acid binding and gene control by a lysine riboswitch. Nature, 455, 2008
4K78	CFTR Associated Ligand (CAL) E317A PDZ domain bound to peptide iCAL36-QDTRL (ANSRWQDTRL) Descriptor: Golgi-associated PDZ and coiled-coil motif-containing protein, iCAL36-QDTRL peptide Authors: Amacher, J.F, Madden, D.R. Deposit date: 2013-04-16 Release date: 2014-01-22 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Stereochemical Preferences Modulate Affinity and Selectivity among Five PDZ Domains that Bind CFTR: Comparative Structural and Sequence Analyses. Structure, 22, 2014
4UOX	Crystal structure of YgjG in complex with Pyridoxal-5'-phosphate and putrescine Descriptor: 1,4-DIAMINOBUTANE, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ... Authors: Jeong, J.H, Kim, Y.G. Deposit date: 2014-06-11 Release date: 2014-12-10 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.085 Å) Cite: Structure of Putrescine Aminotransferase from Escherichia Coli Provides Insights Into the Substrate Specificity Among Class III Aminotransferases. Plos One, 9, 2014
3MB2	Kinetic and Structural Characterization of a Heterohexamer 4-Oxalocrotonate Tautomerase from Chloroflexus aurantiacus J-10-fl: Implications for Functional and Structural Diversity in the Tautomerase Superfamily Descriptor: 4-oxalocrotonate tautomerase family enzyme - alpha subunit, 4-oxalocrotonate tautomerase family enzyme - beta subunit, SULFATE ION Authors: Burks, E.A, Fleming, C.D, Mesecar, A.D, Whitman, C.P, Pegan, S.D. Deposit date: 2010-03-24 Release date: 2010-06-02 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.41 Å) Cite: Kinetic and structural characterization of a heterohexamer 4-oxalocrotonate tautomerase from Chloroflexus aurantiacus J-10-fl: implications for functional and structural diversity in the tautomerase superfamily Biochemistry, 49, 2010
4KL6	Crystal structure of dimeric form of NpuDnaE intein Descriptor: DNA-directed DNA polymerase,Nucleic acid binding, OB-fold, tRNA/helicase-type Authors: Aranko, A.S, Oeemig, J.S, Kajander, T, Iwai, H. Deposit date: 2013-05-07 Release date: 2013-09-04 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Intermolecular domain swapping induces intein-mediated protein alternative splicing. Nat.Chem.Biol., 9, 2013
4UHH	Structural studies of a thermophilic esterase from Thermogutta terrifontis (cacodylate complex) Descriptor: CACODYLIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... Authors: Sayer, C, Isupov, M.N, Bonch-Osmolovskaya, E, Littlechild, J.A. Deposit date: 2015-03-24 Release date: 2015-06-10 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.06 Å) Cite: Structural Studies of a Thermophilic Esterase from a New Planctomycetes Species, Thermogutta Terrifontis. FEBS J., 282, 2015
3DBJ	Allophycocyanin from Thermosynechococcus vulcanus Descriptor: Allophycocyanin, PHYCOCYANOBILIN Authors: Adir, N, Klartag, M, McGregor, A, David, L. Deposit date: 2008-06-01 Release date: 2008-11-11 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Allophycocyanin Trimer Stability and Functionality Are Primarily Due to Polar Enhanced Hydrophobicity of the Phycocyanobilin Binding Pocket J.Mol.Biol., 384, 2008
4UIM	crystal structure of quinine-dependent Fab 314.3 Descriptor: FAB 314.3, SULFATE ION Authors: Zhu, J, Zhu, J, Bougie, D.W, Aster, R.H, Springer, T.A. Deposit date: 2015-03-30 Release date: 2015-09-02 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Structural Basis for Quinine-Dependent Antibody Binding to Platelet Integrin Alphaiib Beta3 Blood, 126, 2015
3MS9	ABL kinase in complex with imatinib and a fragment (FRAG1) in the myristate pocket Descriptor: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, CHLORIDE ION, Tyrosine-protein kinase ABL1, ... Authors: Cowan-Jacob, S.W, Rummel, G, Fendrich, G. Deposit date: 2010-04-29 Release date: 2010-05-26 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Binding or bending: distinction of allosteric Abl kinase agonists from antagonists by an NMR-based conformational assay. J.Am.Chem.Soc., 132, 2010
4K8B	Crystal structure of HCV NS3/4A protease complexed with inhibitor Descriptor: N-(tert-butylcarbamoyl)-3-methyl-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide, NS3 protease, Nonstructural protein, ... Authors: Nar, H. Deposit date: 2013-04-18 Release date: 2014-03-26 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Ligand bioactive conformation plays a critical role in the design of drugs that target the hepatitis C virus NS3 protease. J.Med.Chem., 57, 2014

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