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2PFK	THE CRYSTAL STRUCTURE OF UNLIGANDED PHOSPHOFRUCTOKINASE FROM ESCHERICHIA COLI Descriptor: 6-PHOSPHOFRUCTOKINASE ISOZYME I Authors: Rypniewski, W.R, Evans, P.R. Deposit date: 1988-01-25 Release date: 1989-01-09 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Crystal structure of unliganded phosphofructokinase from Escherichia coli. J.Mol.Biol., 207, 1989
4JFJ	Increasing the Efficiency Efficiency of Ligands for the FK506-Binding Protein 51 by Conformational Control: Complex of FKBP51 with compound (1S,6R)-10-(1,3-benzothiazol-6-ylsulfonyl)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one Descriptor: (1S,6R)-10-(1,3-benzothiazol-6-ylsulfonyl)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5 Authors: Wang, Y, Kirschner, A, Fabian, A, Gopalakrishnan, R, Kress, C, Hoogeland, B, Koch, U, Kozany, C, Bracher, A, Hausch, F. Deposit date: 2013-02-28 Release date: 2013-08-28 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.08 Å) Cite: Increasing the efficiency of ligands for FK506-binding protein 51 by conformational control. J.Med.Chem., 56, 2013
4M88	Crystal structure of extracellular ligand-binding receptor from Verminephrobacter eiseniae ef01-2 Descriptor: Extracellular ligand-binding receptor, GLYCEROL Authors: Wu, R, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics, Midwest Center for Structural Genomics (MCSG) Deposit date: 2013-08-13 Release date: 2013-11-06 Last modified: 2018-01-24 Method: X-RAY DIFFRACTION (1.762 Å) Cite: Crystal structure of extracellular ligand-binding receptor from Verminephrobacter eiseniae ef01-2 To be Published
3ELC	Crystal structure of 2C-methyl-D-erythritol 2,4-clycodiphosphate synthase complexed with ligand Descriptor: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-pyrimidin-2-one, GERANYL DIPHOSPHATE, ... Authors: Hunter, W.N, Ramsden, N.L, Ulaganathan, V. Deposit date: 2008-09-22 Release date: 2009-08-25 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.5 Å) Cite: A structure-based approach to ligand discovery for 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase: a target for antimicrobial therapy J.Med.Chem., 52, 2009
1UAT	The significance of the flexible loop in the azurin (Az-iso2) from the obligate methylotroph Methylomonas sp. strain J Descriptor: Azurin iso-2, COPPER (II) ION, SULFATE ION Authors: Inoue, T, Suzuki, S, Nisho, N, Yamaguchi, K, Kataoka, K, Tobari, J, Yong, X, Hamanaka, S, Matsumura, H, Kai, Y. Deposit date: 2003-03-19 Release date: 2004-03-30 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.9 Å) Cite: The significance of the flexible loop in the azurin (Az-iso2) from the obligate methylotroph Methylomonas sp. strain J J.Mol.Biol., 333, 2003
6NDL	Crystal structure of Staphylococcus aureus biotin protein ligase in complex with a sulfonamide inhibitor Descriptor: 1-[4-(6-aminopurin-9-yl)butylsulfamoyl]-3-[4-[(4~{S})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]butyl]urea, Biotin Protein Ligase, GLYCEROL Authors: Marshall, A.C, Polyak, S.W, Bruning, J.B, Lee, K. Deposit date: 2018-12-13 Release date: 2019-12-18 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2 Å) Cite: Sulfonamide-Based Inhibitors of Biotin Protein Ligase as New Antibiotic Leads. Acs Chem.Biol., 14, 2019
3TK3	Cytochrome P450 2B4 mutant L437A in complex with 4-(4-chlorophenyl)imidazole Descriptor: 4-(4-CHLOROPHENYL)IMIDAZOLE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE Authors: Gay, S.C, Jang, H.H, Wilderman, P.R, Zhang, Q, Stout, C.D, Halpert, J.R. Deposit date: 2011-08-25 Release date: 2011-11-16 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.8001 Å) Cite: Investigation by site-directed mutagenesis of the role of cytochrome P450 2B4 non-active-site residues in protein-ligand interactions based on crystal structures of the ligand-bound enzyme. Febs J., 279, 2012
1TT1	CRYSTAL STRUCTURE OF THE GLUR6 LIGAND BINDING CORE IN COMPLEX WITH KAINATE 1.93 A RESOLUTION Descriptor: 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Glutamate receptor, ionotropic kainate 2 Authors: Mayer, M.L. Deposit date: 2004-06-21 Release date: 2005-02-08 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (1.93 Å) Cite: Crystal structures of the GluR5 and GluR6 ligand binding cores: Molecular mechanisms underlying kainate receptor selectivity Neuron, 45, 2005
4IS0	Structural Insights into Omega-Class Glutathione Transferases: A Snapshot of Enzyme Reduction and Identification of the Non-Catalytic Ligandin Site. Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Glutathione S-transferase omega-1, L-gamma-glutamyl-S-[2-(4-nitrophenyl)-2-oxoethyl]-L-cysteinylglycine, ... Authors: Brock, J, Oakley, A.J. Deposit date: 2013-01-15 Release date: 2013-04-24 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.721 Å) Cite: Structural insights into omega-class glutathione transferases: a snapshot of enzyme reduction and identification of a non-catalytic ligandin site. Plos One, 8, 2013
6WOM	Crystal structure of Aspartyl-tRNA ligase from Elizabethkingia sp. Descriptor: Aspartate--tRNA ligase, SULFATE ION Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2020-04-24 Release date: 2020-05-13 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.15 Å) Cite: Crystal structure of Aspartyl-tRNA ligase from Elizabethkingia sp. TO BE PUBLISHED
6TYW	Structure of Ku80 von Willebrand domain S229A mutant complexed with APLF Ku Binding Motif Descriptor: 1,2-ETHANEDIOL, GLU-ARG-LYS-ARG-ILE-LEU-PRO-THR-TRP-MET-LEU-ALA-GLU, X-ray repair cross-complementing protein 5 Authors: Min, J, Pedersen, L.C. Deposit date: 2019-08-09 Release date: 2019-11-27 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.69965541 Å) Cite: Ligand binding characteristics of the Ku80 von Willebrand domain. DNA Repair (Amst.), 85, 2019
5HPL	System-wide modulation of HECT E3 ligases with selective ubiquitin variant probes: Rsp5 and UbV R5.4 Descriptor: Rsp5, Ubiquitin variant R5.4 Authors: Wu, K.-P, Kamadurai, H.B, Schulman, B.A. Deposit date: 2016-01-20 Release date: 2016-03-16 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.31 Å) Cite: System-Wide Modulation of HECT E3 Ligases with Selective Ubiquitin Variant Probes. Mol.Cell, 62, 2016
6TYZ	Structure of Ku80 von Willebrand domain complexed with APLF Ku Binding Motif Descriptor: 1,2-ETHANEDIOL, GLU-ARG-LYS-ARG-ILE-LEU-PRO-THR-TRP-MET-LEU-ALA, X-ray repair cross-complementing protein 5 Authors: Min, J, Pedersen, L.C. Deposit date: 2019-08-09 Release date: 2019-11-27 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.51076627 Å) Cite: Ligand binding characteristics of the Ku80 von Willebrand domain. DNA Repair (Amst.), 85, 2019
1YJE	Crystal structure of the rNGFI-B ligand-binding domain Descriptor: Orphan nuclear receptor NR4A1 Authors: Flaig, R, Greschik, H, Peluso-Iltis, C, Moras, D, Structural Proteomics in Europe (SPINE) Deposit date: 2005-01-14 Release date: 2005-02-22 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Structural basis for the cell-specific activities of the NGFI-B and the Nurr1 ligand-binding domain. J.Biol.Chem., 280, 2005
2QYU	Crystal structure of Salmonella effector protein SopA Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PHOSPHATE ION, Secreted effector protein Authors: Diao, J, Chen, J. Deposit date: 2007-08-15 Release date: 2007-12-11 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Crystal structure of SopA, a Salmonella effector protein mimicking a eukaryotic ubiquitin ligase. Nat.Struct.Mol.Biol., 15, 2008
6TYV	Structure of Ku80 von Willebrand domain complexed with WRN Ku Binding Motif Descriptor: THR-THR-ALA-GLN-GLN-ARG-LYS-CYS-PRO-GLU-TRP-MET-ASN, X-ray repair cross-complementing protein 5 Authors: Min, J, Pedersen, L.C. Deposit date: 2019-08-09 Release date: 2019-11-27 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.926111 Å) Cite: Ligand binding characteristics of the Ku80 von Willebrand domain. DNA Repair (Amst.), 85, 2019
6NZF	CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound_5 AKA 4-[(2-CARBAMOYLPHEN YL)AMINO]-6-[(5-FLUOROPYRIDIN-2-YL)AMINO]-N-METHYLPYRIDINE -3-CARBOXAMIDE Descriptor: 6-[(5-fluoropyridin-2-yl)amino]-N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}pyridine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2, SULFATE ION Authors: Muckelbauer, J.M. Deposit date: 2019-02-13 Release date: 2019-07-24 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.39 Å) Cite: Identification ofN-Methyl Nicotinamide andN-Methyl Pyridazine-3-Carboxamide Pseudokinase Domain Ligands as Highly Selective Allosteric Inhibitors of Tyrosine Kinase 2 (TYK2). J.Med.Chem., 62, 2019
3FS0	Class II ligase ribozyme product-template duplex, structure 2 Descriptor: 5'-R(*CP*CP*AP*GP*UP*CP*GP*GP*AP*AP*C)-3', 5'-R(*GP*GP*UP*GP*AP*GP*GP*CP*UP*G)-3', MAGNESIUM ION Authors: Pitt, J.N, Ferre-D'Amare, A.R. Deposit date: 2009-01-08 Release date: 2009-02-24 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Structure-guided engineering of the regioselectivity of RNA ligase ribozymes. J.Am.Chem.Soc., 131, 2009
6NZE	CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound_5 AKA 4-[(2-CARBAMOYLPHEN YL)AMINO]-6-[(5-FLUOROPYRIDIN-2-YL)AMINO]-N-METHYLPYRIDINE -3-CARBOXAMIDE Descriptor: 4-[(2-carbamoylphenyl)amino]-6-[(5-fluoropyridin-2-yl)amino]-N-methylpyridine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2, SULFATE ION Authors: Muckelbauer, J.M. Deposit date: 2019-02-13 Release date: 2019-07-24 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.96 Å) Cite: Identification ofN-Methyl Nicotinamide andN-Methyl Pyridazine-3-Carboxamide Pseudokinase Domain Ligands as Highly Selective Allosteric Inhibitors of Tyrosine Kinase 2 (TYK2). J.Med.Chem., 62, 2019
3FTM	Class II ligase ribozyme product-template duplex, structure 1 Descriptor: 5'-R(*CP*CP*AP*GP*UP*CP*GP*GP*AP*AP*CP*A)-3', 5'-R(*GP*UP*GP*UP*GP*AP*GP*GP*CP*UP*G)-3', MAGNESIUM ION, ... Authors: Pitt, J.N, Ferre-D'Amare, A.R. Deposit date: 2009-01-13 Release date: 2009-02-24 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Structure-guided engineering of the regioselectivity of RNA ligase ribozymes. J.Am.Chem.Soc., 131, 2009
6TYX	Structure of Ku80 von Willebrand domain S229A mutant complexed with XLF Ku Binding Motif Descriptor: LYS-GLY-LEU-PHE-MET, X-ray repair cross-complementing protein 5 Authors: Min, J, Pedersen, L.C. Deposit date: 2019-08-09 Release date: 2019-11-27 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.89944351 Å) Cite: Ligand binding characteristics of the Ku80 von Willebrand domain. DNA Repair (Amst.), 85, 2019
6TYU	Structure of Ku80 von Willebrand domain complexed with MRI Ku Binding Motif Descriptor: LYS-THR-ARG-VAL-LEU-PRO-SER-TRP-LEU-THR-ALA, X-ray repair cross-complementing protein 5 Authors: Min, J, Pedersen, L.C. Deposit date: 2019-08-09 Release date: 2019-11-27 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.46862721 Å) Cite: Ligand binding characteristics of the Ku80 von Willebrand domain. DNA Repair (Amst.), 85, 2019
2QZA	Crystal structure of Salmonella effector protein SopA Descriptor: Secreted effector protein Authors: Diao, J, Chen, J. Deposit date: 2007-08-16 Release date: 2007-12-11 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Crystal structure of SopA, a Salmonella effector protein mimicking a eukaryotic ubiquitin ligase. Nat.Struct.Mol.Biol., 15, 2008
4F8H	X-ray Structure of the Anesthetic Ketamine Bound to the GLIC Pentameric Ligand-gated Ion Channel Descriptor: (R)-ketamine, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Proton-gated ion channel, ... Authors: Pan, J.J, Chen, Q, Willenbring, D, Kong, X.P, Cohen, A, Xu, Y, Tang, P. Deposit date: 2012-05-17 Release date: 2012-08-29 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.99 Å) Cite: Structure of the Pentameric Ligand-Gated Ion Channel GLIC Bound with Anesthetic Ketamine. Structure, 20, 2012
3JCZ	Structure of bovine glutamate dehydrogenase in the unliganded state Descriptor: Glutamate dehydrogenase 1, mitochondrial Authors: Borgnia, M.J, Banerjee, S, Merk, A, Matthies, D, Bartesaghi, A, Rao, P, Pierson, J, Earl, L.A, Falconieri, V, Subramaniam, S, Milne, J.L.S. Deposit date: 2016-03-27 Release date: 2016-04-27 Last modified: 2024-02-21 Method: ELECTRON MICROSCOPY (3.26 Å) Cite: Using Cryo-EM to Map Small Ligands on Dynamic Metabolic Enzymes: Studies with Glutamate Dehydrogenase. Mol.Pharmacol., 89, 2016

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