7M8N
 
 | | CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 16 | | Descriptor: | 3C-like proteinase, 5-(3-{3-chloro-5-[(2-methylphenyl)methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione | | Authors: | Deshmukh, M.G, Ippolito, J.A, Zhang, C.H, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2021-03-30 | | Release date: | 2021-06-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Structure-guided design of a perampanel-derived pharmacophore targeting the SARS-CoV-2 main protease.
Structure, 29, 2021
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7M8X
 | | CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 6 | | Descriptor: | 2-{3-[3-chloro-5-(2-methoxyethoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}benzonitrile, 3C-like proteinase | | Authors: | Deshmukh, M.G, Ippolito, J.A, Stone, E.A, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2021-03-30 | | Release date: | 2021-06-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Structure-guided design of a perampanel-derived pharmacophore targeting the SARS-CoV-2 main protease.
Structure, 29, 2021
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7M8Z
 | | CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 29 | | Descriptor: | 3C-like proteinase, 5-{3-[3-chloro-5-(3-hydroxy-3-methylbutoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1H,3H)-dione | | Authors: | Deshmukh, M.G, Ippolito, J.A, Zhang, C.H, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2021-03-30 | | Release date: | 2021-06-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Structure-guided design of a perampanel-derived pharmacophore targeting the SARS-CoV-2 main protease.
Structure, 29, 2021
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8B97
 | | N-terminal beta-trefoil lectin domain of the Laccaria bicolor lectin in complex with N-acetyl-lactosamine | | Descriptor: | Beta-trefoil domain of the LBL lectin, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Acebron, I, Campanero-Rhodes, M.A, Solis, D, Menendez, M, Garcia, C, Lillo, M.P, Mancheno, J.M. | | Deposit date: | 2022-10-05 | | Release date: | 2023-02-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | Atomic crystal structure and sugar specificity of a beta-trefoil lectin domain from the ectomycorrhizal basidiomycete Laccaria bicolor.
Int.J.Biol.Macromol., 233, 2023
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2PU2
 | | AmpC beta-lactamase with bound Phthalamide inhibitor | | Descriptor: | 2-[(1R)-1-CARBOXY-2-(4-HYDROXYPHENYL)ETHYL]-1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID, Beta-lactamase, PHOSPHATE ION | | Authors: | Babaoglu, K, Shoichet, B.K. | | Deposit date: | 2007-05-08 | | Release date: | 2008-04-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Comprehensive mechanistic analysis of hits from high-throughput and docking screens against beta-lactamase.
J.Med.Chem., 51, 2008
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1LIT
 | | HUMAN LITHOSTATHINE | | Descriptor: | LITHOSTATHINE | | Authors: | Bertrand, J.A, Pignol, D, Bernard, J.-P, Verdier, J.-M, Dagorn, J.-C, Fontacilla-Camps, J.C. | | Deposit date: | 1996-01-17 | | Release date: | 1997-01-11 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal structure of human lithostathine, the pancreatic inhibitor of stone formation.
EMBO J., 15, 1996
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1POZ
 | | SOLUTION STRUCTURE OF THE HYALURONAN BINDING DOMAIN OF HUMAN CD44 | | Descriptor: | CD44 antigen | | Authors: | Teriete, P, Banerji, S, Blundell, C.D, Kahmann, J.D, Pickford, A.R, Wright, A.J, Campbell, I.D, Jackson, D.G, Day, A.J. | | Deposit date: | 2003-06-16 | | Release date: | 2004-03-16 | | Last modified: | 2021-10-27 | | Method: | SOLUTION NMR | | Cite: | Structure of the Regulatory Hyaluronan Binding Domain in the Inflammatory Leukocyte Homing Receptor CD44.
Mol.Cell, 13, 2004
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2PU4
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6R5F
 | | Crystal structure of RIP1 kinase in complex with DHP77 | | Descriptor: | Receptor-interacting serine/threonine-protein kinase 1, [(5~{S})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone | | Authors: | Thorpe, J.H, Campobasso, N, Harris, P.A. | | Deposit date: | 2019-03-25 | | Release date: | 2019-05-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Discovery and Lead-Optimization of 4,5-Dihydropyrazoles as Mono-Kinase Selective, Orally Bioavailable and Efficacious Inhibitors of Receptor Interacting Protein 1 (RIP1) Kinase.
J.Med.Chem., 62, 2019
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8BLR
 | | G13D mutant of KRAS4b (2-169) bound to GDP with the switch-I in fully open conformation | | Descriptor: | GTPase KRas, N-terminally processed, GUANOSINE-5'-DIPHOSPHATE | | Authors: | Moche, M, Jungholm, O, Strandback, E, Ampah-Korsah, H, Nyman, T, Orwar, O. | | Deposit date: | 2022-11-10 | | Release date: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The 1.4 A crystal structure of K-Ras4A mutant G13D in open conformation
To Be Published
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3GSL
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1NAM
 | | MURINE ALLOREACTIVE SCFV TCR-PEPTIDE-MHC CLASS I MOLECULE COMPLEX | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BM3.3 T Cell Receptor alpha-Chain, BM3.3 T Cell Receptor beta-Chain, ... | | Authors: | Reiser, J.-B, Darnault, C, Gregoire, C, Mosser, T, Mazza, G, Kearnay, A, van der Merwe, P.A, Fontecilla-Camps, J.C, Housset, D, Malissen, B. | | Deposit date: | 2002-11-28 | | Release date: | 2003-03-11 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | CDR3 loop flexibility contributes to the degeneracy of TCR recognition
Nat.Immunol., 4, 2003
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2Q60
 | | Crystal structure of the ligand binding domain of polyandrocarpa misakiensis rxr in tetramer in absence of ligand | | Descriptor: | Retinoid X receptor | | Authors: | Borel, F, De Groot, A, Juillan-Binard, C, De Rosny, E, Laudet, V, Pebay-Peyroula, E, Fontecilla-Camps, J.-C, Ferrer, J.-L. | | Deposit date: | 2007-06-04 | | Release date: | 2008-05-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of the ligand-binding domain of the retinoid X receptor from the ascidian polyandrocarpa misakiensis.
Proteins, 74, 2008
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4F2O
 | | Quisqualate bound to the D655A mutant of the ligand binding domain of GluA3 | | Descriptor: | (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, Glutamate receptor 3, ZINC ION | | Authors: | Ahmed, A.H, Oswald, R.E. | | Deposit date: | 2012-05-08 | | Release date: | 2012-05-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.912 Å) | | Cite: | The loss of an electrostatic contact unique to AMPA receptor ligand binding domain 2 slows channel activation.
Biochemistry, 51, 2012
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4F3G
 | | Kainate bound to the ligand binding domain of GluA3i | | Descriptor: | 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Glutamate receptor 3, ZINC ION | | Authors: | Ahmed, A.H, Oswald, R.E. | | Deposit date: | 2012-05-09 | | Release date: | 2012-05-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.064 Å) | | Cite: | The loss of an electrostatic contact unique to AMPA receptor ligand binding domain 2 slows channel activation.
Biochemistry, 51, 2012
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1MD7
 | | Monomeric structure of the zymogen of complement protease C1r | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C1R COMPLEMENT SERINE PROTEASE | | Authors: | Budayova-Spano, M, Grabarse, W, Thielens, N.M, Hillen, H, Lacroix, M, Schmidt, M, Fontecilla-Camps, J, Arlaud, G.J, Gaboriaud, C. | | Deposit date: | 2002-08-07 | | Release date: | 2003-08-07 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Monomeric structures of the zymogen and active catalytic domain of complement protease c1r: further insights into the c1 activation mechanism
Structure, 10, 2002
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1MMI
 | | E. COLI DNA POLYMERASE BETA SUBUNIT | | Descriptor: | DNA polymerase III, beta chain | | Authors: | Oakley, A.J, Prosselkov, P, Wijffels, G, Beck, J.L, Wilce, M.C.J, Dixon, N.E. | | Deposit date: | 2002-09-04 | | Release date: | 2003-09-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.848 Å) | | Cite: | Flexibility revealed by the 1.85 A crystal structure of the beta sliding-clamp subunit of Escherichia coli DNA polymerase III.
Acta Crystallogr.,Sect.D, 59, 2003
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2R9X
 | | AmpC beta-lactamase with bound Phthalamide inhibitor | | Descriptor: | 2-[(1R)-2-carboxy-1-(naphthalen-1-ylmethyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid, Beta-lactamase, DIMETHYL SULFOXIDE, ... | | Authors: | Babaoglu, K, Shoichet, B.K. | | Deposit date: | 2007-09-13 | | Release date: | 2008-04-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Comprehensive mechanistic analysis of hits from high-throughput and docking screens against beta-lactamase.
J.Med.Chem., 51, 2008
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3HSY
 | | High resolution structure of a dimeric GluR2 N-terminal domain (NTD) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor 2, SULFATE ION, ... | | Authors: | Rossmann, M, Sukumaran, M, Penn, A.C, Veprintsev, D.B, Greger, I.H. | | Deposit date: | 2009-06-11 | | Release date: | 2010-06-16 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Subunit-selective N-terminal domain associations organize the formation of AMPA receptor heteromers
Embo J., 30, 2011
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4F3B
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4F31
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4F39
 | | Kainate bound to the ligand binding domain of GluA3 | | Descriptor: | 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Glutamate receptor 3, ZINC ION | | Authors: | Ahmed, A.H, Oswald, R.E. | | Deposit date: | 2012-05-09 | | Release date: | 2012-05-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.834 Å) | | Cite: | The loss of an electrostatic contact unique to AMPA receptor ligand binding domain 2 slows channel activation.
Biochemistry, 51, 2012
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4F22
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1P0I
 | | Crystal structure of human butyryl cholinesterase | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Nicolet, Y, Lockridge, O, Masson, P, Fontecilla-Camps, J.C, Nachon, F. | | Deposit date: | 2003-04-10 | | Release date: | 2003-08-05 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of human butyrylcholinesterase and of its complexes with substrate and products.
J.Biol.Chem., 278, 2003
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1P0M
 | | Crystal structure of human butyryl cholinesterase in complex with a choline molecule | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Nicolet, Y, Lockridge, O, Masson, P, Fontecilla-Camps, J.C, Nachon, F. | | Deposit date: | 2003-04-10 | | Release date: | 2003-08-05 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Crystal structure of human butyrylcholinesterase and of its complexes with substrate and products.
J.Biol.Chem., 278, 2003
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