6MYU
 
 | | Avian mitochondrial complex II crystallized in the presence of HQNO | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, DI(HYDROXYETHYL)ETHER, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Berry, E.A, Huang, L.-S. | | Deposit date: | 2018-11-02 | | Release date: | 2019-11-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Crystallographic investigation of the ubiquinone binding site of respiratory Complex II and its inhibitors.
Biochim Biophys Acta Proteins Proteom, 1869, 2021
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6O89
 | | Anti-CD28xCD3 CODV Fab | | Descriptor: | Anti-CD28xCD3 CODV-Fab Heavy chain, Anti-CD28xCD3 CODV-Fab Light chain | | Authors: | Lord, D.M, Wei, R.R. | | Deposit date: | 2019-03-09 | | Release date: | 2019-11-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Trispecific antibodies enhance the therapeutic efficacy of tumor-directed T cells through T cell receptor co-stimulation
Nat Cancer, 1, 2020
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2FBW
 | | Avian respiratory complex II with carboxin bound | | Descriptor: | (~{Z})-2-oxidanylbut-2-enedioic acid, 2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-OXATHIINE-3-CARBOXAMIDE, AZIDE ION, ... | | Authors: | Huang, L.S, Sun, G, Cobessi, D, Wang, A.C, Shen, J.T, Tung, E.Y, Anderson, V.E, Berry, E.A. | | Deposit date: | 2005-12-10 | | Release date: | 2005-12-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | 3-nitropropionic acid is a suicide inhibitor of mitochondrial respiration that, upon oxidation by complex II, forms a covalent adduct with a catalytic base arginine in the active site of the enzyme.
J.Biol.Chem., 281, 2006
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5GUJ
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3V5Q
 | | Discovery of a selective TRK Inhibitor with efficacy in rodent cancer tumor models | | Descriptor: | 1-(3-{[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-indol-6-yl]amino}phenyl)-3-[3-(trifluoromethyl)phenyl]urea, CHLORIDE ION, NT-3 growth factor receptor | | Authors: | Kreusch, A. | | Deposit date: | 2011-12-16 | | Release date: | 2012-02-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2001 Å) | | Cite: | Discovery of GNF-5837, a Selective TRK Inhibitor with Efficacy in Rodent Cancer Tumor Models.
ACS Med Chem Lett, 3, 2012
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3K5V
 | | Structure of Abl kinase in complex with imatinib and GNF-2 | | Descriptor: | 3-(6-{[4-(trifluoromethoxy)phenyl]amino}pyrimidin-4-yl)benzamide, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, CHLORIDE ION, ... | | Authors: | Cowan-Jacob, S.W, Fendrich, G, Rummel, G, Strauss, A. | | Deposit date: | 2009-10-08 | | Release date: | 2010-01-19 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Targeting Bcr-Abl by combining allosteric with ATP-binding-site inhibitors.
Nature, 463, 2010
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8WPZ
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4HQE
 | | The crystal structure of QsrR-DNA complex | | Descriptor: | DNA (5'-D(*AP*GP*TP*AP*TP*AP*AP*TP*TP*AP*TP*TP*AP*TP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*AP*TP*AP*AP*TP*AP*AP*TP*TP*AP*TP*AP*CP*T)-3'), Transcriptional regulator QsrR | | Authors: | He, C, Ji, Q, Zhang, L. | | Deposit date: | 2012-10-25 | | Release date: | 2013-03-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.299 Å) | | Cite: | Molecular mechanism of quinone signaling mediated through S-quinonization of a YodB family repressor QsrR.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4I88
 | | R107G HSP16.5 | | Descriptor: | Small heat shock protein HSP16.5 | | Authors: | Pohl, E, Williamson, I.R, Quinlan, R.A. | | Deposit date: | 2012-12-03 | | Release date: | 2013-11-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Changes in the quaternary structure and function of MjHSP16.5 attributable to deletion of the IXI motif and introduction of the substitution, R107G, in the alpha-crystallin domain.
PHILOS.TRANS.R.SOC.LOND.B BIOL.SCI., 368, 2013
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4MFH
 | | Crystal Structure of M121G Azurin | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Azurin, COPPER (II) ION | | Authors: | Tian, S, Lu, Y. | | Deposit date: | 2013-08-27 | | Release date: | 2014-01-15 | | Last modified: | 2014-02-05 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Copper-sulfenate complex from oxidation of a cavity mutant of Pseudomonas aeruginosa azurin.
Proc.Natl.Acad.Sci.USA, 111, 2014
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8JT8
 | | Crystal structure of 5-HT2AR in complex with (R)-IHCH-7179 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-(4-fluorophenyl)-4-[(7R)-2,5,11-triazatetracyclo[7.6.1.0^2,7.0^12,16]hexadeca-1(15),9,12(16),13-tetraen-5-yl]butan-1-one, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, ... | | Authors: | Chen, Z, Fan, L, Wang, S. | | Deposit date: | 2023-06-21 | | Release date: | 2024-02-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Flexible scaffold-based cheminformatics approach for polypharmacological drug design.
Cell, 187, 2024
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8JT6
 | | 5-HT1A-Gi in complex with compound (R)-IHCH-7179 | | Descriptor: | 1-(4-fluorophenyl)-4-[(7R)-2,5,11-triazatetracyclo[7.6.1.0^2,7.0^12,16]hexadeca-1(15),9,12(16),13-tetraen-5-yl]butan-1-one, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Chen, Z, Xu, P, Huang, S, Xu, H.E, Wang, S. | | Deposit date: | 2023-06-21 | | Release date: | 2024-02-28 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Flexible scaffold-based cheminformatics approach for polypharmacological drug design.
Cell, 187, 2024
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3T8R
 | | Crystal structure of Staphylococcus aureus CymR | | Descriptor: | Staphylococcus aureus CymR | | Authors: | He, C, Ji, Q. | | Deposit date: | 2011-08-01 | | Release date: | 2012-05-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Staphylococcus aureus CymR Is a New Thiol-based Oxidation-sensing Regulator of Stress Resistance and Oxidative Response.
J.Biol.Chem., 287, 2012
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8Z61
 | | Human beta-catenin crystal structure | | Descriptor: | Catenin beta-1 | | Authors: | Tim, F. | | Deposit date: | 2024-04-18 | | Release date: | 2024-05-08 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of Novel 1-Phenylpiperidine Urea-Containing Derivatives Inhibiting beta-Catenin/BCL9 Interaction and Exerting Antitumor Efficacy through the Activation of Antigen Presentation of cDC1 Cells.
J.Med.Chem., 67, 2024
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3T8T
 | | Crystal structure of Staphylococcus aureus CymR oxidized form | | Descriptor: | Staphylococcus aureus CymR (oxidized form) | | Authors: | He, C, Ji, Q. | | Deposit date: | 2011-08-01 | | Release date: | 2012-05-16 | | Last modified: | 2012-07-18 | | Method: | X-RAY DIFFRACTION (1.752 Å) | | Cite: | Staphylococcus aureus CymR Is a New Thiol-based Oxidation-sensing Regulator of Stress Resistance and Oxidative Response.
J.Biol.Chem., 287, 2012
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8Z5J
 | | Beta-catenin Crystal Structure | | Descriptor: | Catenin beta-1 | | Authors: | Tim, F. | | Deposit date: | 2024-04-18 | | Release date: | 2024-05-22 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery of Novel 1-Phenylpiperidine Urea-Containing Derivatives Inhibiting beta-Catenin/BCL9 Interaction and Exerting Antitumor Efficacy through the Activation of Antigen Presentation of cDC1 Cells.
J.Med.Chem., 67, 2024
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2RHS
 | | PheRS from Staphylococcus haemolyticus- rational protein engineering and inhibitor studies | | Descriptor: | 1-{3-[(4-pyridin-2-ylpiperazin-1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-2-yl)urea, Phenylalanyl-tRNA synthetase alpha chain, Phenylalanyl-tRNA synthetase beta chain, ... | | Authors: | Evdokimov, A.G, Mekel, M. | | Deposit date: | 2007-10-09 | | Release date: | 2007-11-06 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Rational protein engineering in action: the first crystal structure of a phenylalanine tRNA synthetase from Staphylococcus haemolyticus.
J.Struct.Biol., 162, 2008
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2RHQ
 | | PheRS from Staphylococcus haemolyticus- rational protein engineering and inhibitor studies | | Descriptor: | 1-{3-[(4-pyridin-2-ylpiperazin-1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-2-yl)urea, Phenylalanyl-tRNA synthetase alpha chain, Phenylalanyl-tRNA synthetase beta chain, ... | | Authors: | Evdokimov, A.G, Mekel, M. | | Deposit date: | 2007-10-09 | | Release date: | 2007-11-06 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Rational protein engineering in action: the first crystal structure of a phenylalanine tRNA synthetase from Staphylococcus haemolyticus.
J.Struct.Biol., 162, 2008
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2H88
 | | Avian Mitochondrial Respiratory Complex II at 1.8 Angstrom Resolution | | Descriptor: | AZIDE ION, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ... | | Authors: | Huang, L.S, Shen, J.T, Wang, A.C, Berry, E.A. | | Deposit date: | 2006-06-06 | | Release date: | 2006-06-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Crystallographic studies of the binding of ligands to the dicarboxylate site of Complex II, and the identity of the ligand in the
Biochim.Biophys.Acta, 1757
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2H89
 | | Avian Respiratory Complex II with Malonate Bound | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ... | | Authors: | Huang, L.S, Shen, J.T, Wang, A.C, Berry, E.A. | | Deposit date: | 2006-06-06 | | Release date: | 2006-06-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystallographic studies of the binding of ligands to the dicarboxylate site of Complex II, and the identity of the ligand in the
Biochim.Biophys.Acta, 1757
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7EPF
 | | Crystal structure of mGlu2 bound to NAM597 | | Descriptor: | (8~{R})-4-[2,4-bis(fluoranyl)phenyl]-8-methyl-7-[(2-methylpyrazol-3-yl)methyl]-6,8-dihydro-5~{H}-1,7-naphthyridine-2-carboxamide, FLAVIN MONONUCLEOTIDE, Metabotropic glutamate receptor 2 | | Authors: | Du, J, Wang, D, Lin, S, Han, S, Wu, B, Zhao, Q. | | Deposit date: | 2021-04-26 | | Release date: | 2021-06-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structures of human mGlu2 and mGlu7 homo- and heterodimers.
Nature, 594, 2021
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7EPE
 | | Crystal structure of mGlu2 bound to NAM563 | | Descriptor: | 4-(1-methylpyrazol-4-yl)-7-[[(2~{S})-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide, FLAVIN MONONUCLEOTIDE, Metabotropic glutamate receptor 2 | | Authors: | Du, J, Wang, D, Lin, S, Han, S, Wu, B, Zhao, Q. | | Deposit date: | 2021-04-26 | | Release date: | 2021-06-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structures of human mGlu2 and mGlu7 homo- and heterodimers.
Nature, 594, 2021
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2ICJ
 | | The crystal structure of human isopentenyl diphophate isomerase | | Descriptor: | Isopentenyl-diphosphate delta isomerase, MAGNESIUM ION, SULFATE ION | | Authors: | Zheng, W, Bartlam, M, Rao, Z. | | Deposit date: | 2006-09-12 | | Release date: | 2007-03-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The crystal structure of human isopentenyl diphosphate isomerase at 1.7 A resolution reveals its catalytic mechanism in isoprenoid biosynthesis
J.Mol.Biol., 366, 2007
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2ICK
 | | Human isopentenyl diphophate isomerase complexed with substrate analog | | Descriptor: | DIMETHYLALLYL DIPHOSPHATE, Isopentenyl-diphosphate delta isomerase, MANGANESE (II) ION | | Authors: | Zheng, W, Bartlam, M, Rao, Z. | | Deposit date: | 2006-09-12 | | Release date: | 2007-03-20 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | The crystal structure of human isopentenyl diphosphate isomerase at 1.7 A resolution reveals its catalytic mechanism in isoprenoid biosynthesis
J.Mol.Biol., 366, 2007
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2F9Y
 | | The Crystal Structure of The Carboxyltransferase Subunit of ACC from Escherichia coli | | Descriptor: | Acetyl-CoA carboxylase, Carboxyltransferase alpha chain, Acetyl-coenzyme A carboxylase carboxyl transferase subunit beta, ... | | Authors: | Bilder, P.W. | | Deposit date: | 2005-12-06 | | Release date: | 2006-12-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | The Structure of the Carboxyltransferase Component of Acetyl-CoA Carboxylase Reveals a Zinc-Binding Motif Unique to the Bacterial Enzyme(,).
Biochemistry, 45, 2006
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