8BAK
 
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8BAB
 | | Crystal structure of JAK2 JH2-V617F in complex with CB76 | | Descriptor: | 6-[(1-methylimidazol-2-yl)sulfanylmethyl]-~{N}4-(3-methylphenyl)-1,3,5-triazine-2,4-diamine, GLYCEROL, Tyrosine-protein kinase JAK2 | | Authors: | Haikarainen, T, Silvennoinen, O. | | Deposit date: | 2022-10-11 | | Release date: | 2023-02-01 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
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8B8N
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8BA2
 | | Crystal structure of JAK2 JH2-V617F in complex with Z902-A1 | | Descriptor: | 6-[[(5-bromanylthiophen-2-yl)methyl-methyl-amino]methyl]-~{N}4-(4-methylphenyl)-1,3,5-triazine-2,4-diamine, ACETATE ION, GLYCEROL, ... | | Authors: | Haikarainen, T, Silvennoinen, O. | | Deposit date: | 2022-10-11 | | Release date: | 2023-02-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
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8B99
 | | Crystal structure of JAK2 JH2-V617F in complex with JNJ-7706621 | | Descriptor: | 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, GLYCEROL, Tyrosine-protein kinase JAK2 | | Authors: | Haikarainen, T, Silvennoinen, O. | | Deposit date: | 2022-10-05 | | Release date: | 2023-02-01 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
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6T44
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5H9K
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4EP6
 | | Crystal structure of the XplA heme domain in complex with imidazole and PEG | | Descriptor: | Cytochrome P450-like protein XplA, IMIDAZOLE, PENTAETHYLENE GLYCOL, ... | | Authors: | Bui, S.H, McLean, K.J, Cheesman, M.R, Bradley, J.M, Rigby, S.E.J, Leys, D, Munro, A.W. | | Deposit date: | 2012-04-17 | | Release date: | 2012-05-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Unusual Spectroscopic and Ligand Binding Properties of the Cytochrome P450-Flavodoxin Fusion Enzyme XplA.
J.Biol.Chem., 287, 2012
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5Z9H
 | | Crystal structure of KAI2_ply2(A219V) | | Descriptor: | Probable esterase KAI2 | | Authors: | Kim, K.L, Cha, J.S, Soh, M.S, Cho, H.S. | | Deposit date: | 2018-02-03 | | Release date: | 2018-08-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | A missense allele of KARRIKIN-INSENSITIVE2 impairs ligand-binding and downstream signaling in Arabidopsis thaliana.
J. Exp. Bot., 69, 2018
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1HJW
 | | Crystal structure of hcgp-39 in complex with chitin octamer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Houston, D.R, Recklies, A.D, Krupa, J.C, Van Aalten, D.M.F. | | Deposit date: | 2003-02-28 | | Release date: | 2003-03-11 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure and Ligand-Induced Conformational Change of the 39-kDa Glycoprotein from Human Articular Chondrocytes
J.Biol.Chem., 278, 2003
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5IJ3
 | | SrpA adhesin in complex with sialyl T antigen | | Descriptor: | ACETATE ION, CALCIUM ION, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-galactopyranose, ... | | Authors: | Iverson, T.M. | | Deposit date: | 2016-03-01 | | Release date: | 2017-02-08 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structures of the Streptococcus sanguinis SrpA Binding Region with Human Sialoglycans Suggest Features of the Physiological Ligand.
Biochemistry, 2016
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5IZZ
 | | Crystal structure of a marine metagenome TRAP solute binding protein specific for aromatic acid ligands (Sorcerer II Global Ocean Sampling Expedition, unidentified microbe, locus tag GOS_1523157, Triple Surface Mutant K158A_K223A_K313A) in complex with metahydroxyphenylacetate, thermal exchange of ligand | | Descriptor: | 3-HYDROXYPHENYLACETATE, DI(HYDROXYETHYL)ETHER, TRAP TRANSPORTER SOLUTE BINDING PROTEIN | | Authors: | Vetting, M.W, Al Obaidi, N.F, Hogle, S.L, Dupont, C.L, Almo, S.C. | | Deposit date: | 2016-03-26 | | Release date: | 2017-01-18 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of a marine metagenome TRAP solute binding protein specific for aromatic acid ligands (Sorcerer II Global Ocean Sampling Expedition, unidentified microbe, locus tag GOS_1523157, Triple Surface Mutant K158A_K223A_K313A) in complex with metahydroxyphenylacetate, thermal exchange of ligand
To be published
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6EQQ
 | | Human butyrylcholinesterase in complex with huprine 19 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BROMIDE ION, ... | | Authors: | Nachon, F, Brazzolotto, X, Wandhammer, M, Trovaslet-Leroy, M, Rosenberry, T.L, Macdonald, I.R, Darvesh, S. | | Deposit date: | 2017-10-15 | | Release date: | 2017-12-13 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.40000439 Å) | | Cite: | Comparison of the Binding of Reversible Inhibitors to Human Butyrylcholinesterase and Acetylcholinesterase: A Crystallographic, Kinetic and Calorimetric Study.
Molecules, 22, 2017
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6KEA
 | | crystal structure of MBP-tagged REV7-IpaB complex | | Descriptor: | Maltose-binding periplasmic protein,LINKER,hREV7,LINKER,Invasin IpaB,hREV3 | | Authors: | Wang, X, Pernicone, N, Pertz, L, Hua, D.P, Zhang, T.Q, Listovsky, T, Xie, W. | | Deposit date: | 2019-07-04 | | Release date: | 2019-09-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | REV7 has a dynamic adaptor region to accommodate small GTPase RAN/ShigellaIpaB ligands, and its activity is regulated by the RanGTP/GDP switch.
J.Biol.Chem., 294, 2019
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1PK5
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8QJ2
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1TT8
 | | CHORISMATE LYASE WITH PRODUCT, 1.0 A RESOLUTION | | Descriptor: | Chorismate-pyruvate lyase, P-HYDROXYBENZOIC ACID | | Authors: | Gallagher, D.T, Mayhew, M, Holden, M.J, Vilker, V, Howard, A. | | Deposit date: | 2004-06-22 | | Release date: | 2004-12-28 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Structural analysis of ligand binding and catalysis in chorismate lyase.
Arch.Biochem.Biophys., 445, 2006
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1KX9
 | | ANTENNAL CHEMOSENSORY PROTEIN A6 FROM THE MOTH MAMESTRA BRASSICAE | | Descriptor: | ACETATE ION, CHEMOSENSORY PROTEIN A6 | | Authors: | Lartigue, A, Campanacci, V, Roussel, A, Larsson, A.M, Jones, T.A, Tegoni, M, Cambillau, C. | | Deposit date: | 2002-01-31 | | Release date: | 2002-12-04 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | X-ray structure and ligand binding study of a moth chemosensory protein
J.Biol.Chem., 277, 2002
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3P73
 | | Crystal Structures of the Chicken YF1*7.1 molecule | | Descriptor: | ACETATE ION, Beta-2-microglobulin, CETYL-TRIMETHYL-AMMONIUM, ... | | Authors: | Hee, C.S, Gao, S, Loll, B, Miller, M.M, Uchanska-Ziegler, B, Daumke, O, Ziegler, A. | | Deposit date: | 2010-10-12 | | Release date: | 2010-11-24 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | Structure of a Classical MHC Class I Molecule That Binds "Non-Classical" Ligands.
Plos Biol., 8, 2010
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1DJR
 | | HEAT-LABILE ENTEROTOXIN B-PENTAMER COMPLEXED WITH M-CARBOXYPHENYL-ALPHA-D-GALACTOSE | | Descriptor: | BENZOIC ACID, GLYCEROL, HEAT-LABILE ENTEROTOXIN, ... | | Authors: | Minke, W.E, Pickens, J, Merritt, E.A, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | | Deposit date: | 1999-12-03 | | Release date: | 2000-06-30 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structure of m-carboxyphenyl-alpha-D-galactopyranoside complexed to heat-labile enterotoxin at 1.3 A resolution: surprising variations in ligand-binding modes.
Acta Crystallogr.,Sect.D, 56, 2000
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1U12
 | | M. loti cyclic nucleotide binding domain mutant | | Descriptor: | IODIDE ION, POTASSIUM ION, SULFATE ION, ... | | Authors: | Clayton, G.M, Silverman, W.R, Heginbotham, L, Morais-Cabral, J.H. | | Deposit date: | 2004-07-14 | | Release date: | 2004-11-30 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural Basis of Ligand Activation in a Cyclic Nucleotide Regulated Potassium Channel
Cell(Cambridge,Mass.), 119, 2004
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2LF1
 | | Solution structure of L. casei dihydrofolate reductase complexed with NADPH, 30 structures | | Descriptor: | Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Polshakov, V, Feeney, J, Birdsall, B, Kovalevskaya, N. | | Deposit date: | 2011-06-28 | | Release date: | 2011-12-21 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | NMR structures of apo L. casei dihydrofolate reductase and its complexes with trimethoprim and NADPH: contributions to positive cooperative binding from ligand-induced refolding, conformational changes, and interligand hydrophobic interactions
Biochemistry, 50, 2011
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3P77
 | | Crystal Structures of the Chicken YF1*7.1 molecule | | Descriptor: | ACETATE ION, Beta-2-microglobulin, MHC Rfp-Y class I alpha chain, ... | | Authors: | Hee, C.S, Gao, S, Loll, B, Miller, M.M, Uchanska-Ziegler, B, Daumke, O, Ziegler, A. | | Deposit date: | 2010-10-12 | | Release date: | 2010-11-24 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure of a Classical MHC Class I Molecule That Binds "Non-Classical" Ligands.
Plos Biol., 8, 2010
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8JJ3
 | | Cryo-EM structure of nanodisc (PE:PS:PC) reconstituted GLIC at pH 2.5 | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CHLORIDE ION, Proton-gated ion channel | | Authors: | Bharambe, N, Li, Z, Basak, S. | | Deposit date: | 2023-05-29 | | Release date: | 2024-04-17 | | Method: | ELECTRON MICROSCOPY (2.6476 Å) | | Cite: | Cryo-EM structures of prokaryotic ligand-gated ion channel GLIC provide insights into gating in a lipid environment.
Nat Commun, 15, 2024
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3LE8
 | | Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 1.70 Angstrom resolution in complex with 2-(2-((benzofuran-2-carboxamido)methyl)-5-methoxy-1H-indol-1-yl)acetic acid | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-((benzofuran-2-carboxamido)methyl)-5-methoxy-1H-indol-1-yl)acetic acid, ETHANOL, ... | | Authors: | Silvestre, H.L, Hung, A.W, Sledz, P, Ciulli, A, Blundell, T.L, Abell, C. | | Deposit date: | 2010-01-14 | | Release date: | 2010-04-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Optimization of the interligand overhauser effect for fragment linking: application to inhibitor discovery against Mycobacterium tuberculosis pantothenate synthetase.
J.Am.Chem.Soc., 132, 2010
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