7ONT
 
 | | PARP1 catalytic domain in complex with a selective pyridine carboxamide-based inhibitor (compound 22) | | Descriptor: | 5-[4-[(3-ethyl-2-oxidanylidene-1~{H}-quinolin-7-yl)methyl]piperazin-1-yl]-~{N}-methyl-pyridine-2-carboxamide, Poly [ADP-ribose] polymerase 1, SULFATE ION | | Authors: | Schimpl, M, Balazs, A, Barratt, D, Bista, M, Chuba, M, Degorce, S.L, Di Fruscia, P, Embrey, K, Ghosh, A, Gill, S, Gunnarsson, A, Hande, S, Hemsley, P, Heightman, T.D, Illuzzi, G, Lane, J, Larner, C, Leo, E, Madin, A, Martin, S, McWilliams, L, Orme, J, Pachl, F, Packer, M.J, Pike, A, Staniszewska, A.D, Talbot, V, Underwood, E, Varnes, G.J, Zhang, A, Zheng, X, Johannes, J.W. | | Deposit date: | 2021-05-25 | | Release date: | 2021-09-15 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.853 Å) | | Cite: | Discovery of 5-{4-[(7-Ethyl-6-oxo-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl}- N -methylpyridine-2-carboxamide (AZD5305): A PARP1-DNA Trapper with High Selectivity for PARP1 over PARP2 and Other PARPs.
J.Med.Chem., 64, 2021
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7ONS
 | | PARP1 catalytic domain in complex with isoquinolone-based inhibitor (compound 16) | | Descriptor: | 7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1~{H}-quinolin-2-one, Poly [ADP-ribose] polymerase 1, SULFATE ION | | Authors: | Schimpl, M, Balazs, A, Barratt, D, Bista, M, Chuba, M, Degorce, S.L, Di Fruscia, P, Embrey, K, Ghosh, A, Gill, S, Gunnarsson, A, Hande, S, Hemsley, P, Heightman, T.D, Illuzzi, G, Lane, J, Larner, C, Leo, E, Madin, A, Martin, S, McWilliams, L, Orme, J, Pachl, F, Packer, M, Pike, A, Staniszewska, A.D, Talbot, V, Underwood, E, Varnes, G.J, Zhang, A, Zheng, X, Johannes, J.W. | | Deposit date: | 2021-05-25 | | Release date: | 2021-09-15 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Discovery of 5-{4-[(7-Ethyl-6-oxo-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl}- N -methylpyridine-2-carboxamide (AZD5305): A PARP1-DNA Trapper with High Selectivity for PARP1 over PARP2 and Other PARPs.
J.Med.Chem., 64, 2021
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7ONR
 | | PARP1 catalytic domain in complex with 8-chloroquinazolinone-based inhibitor (compound 9) | | Descriptor: | 8-chloranyl-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3~{H}-quinazolin-4-one, Poly [ADP-ribose] polymerase 1, SULFATE ION | | Authors: | Schimpl, M, Balazs, A, Barratt, D, Bista, M, Chuba, M, Degorce, S.L, Di Fruscia, P, Embrey, K, Ghosh, A, Gill, S, Gunnarsson, A, Hande, S, Hemsley, P, Illuzzi, G, Lane, J, Larner, C, Leo, E, Madin, A, Martin, S, McWilliams, L, Orme, J, Pachl, F, Packer, M, Pike, A, Staniszewska, A.D, Talbot, V, Underwood, E, Varnes, G.J, Zhang, A, Zheng, X, Johannes, J.W. | | Deposit date: | 2021-05-25 | | Release date: | 2021-09-15 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Discovery of 5-{4-[(7-Ethyl-6-oxo-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl}- N -methylpyridine-2-carboxamide (AZD5305): A PARP1-DNA Trapper with High Selectivity for PARP1 over PARP2 and Other PARPs.
J.Med.Chem., 64, 2021
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3D9A
 | | High Resolution Crystal Structure Structure of HyHel10 Fab Complexed to Hen Egg Lysozyme | | Descriptor: | Heavy Chain of HyHel10 Antibody Fragment (Fab), Light Chain of HyHel10 Antibody Fragment (Fab), Lysozyme C | | Authors: | DeSantis, M.E, Li, M, Shanmuganathan, A, Acchione, M, Walter, R, Wlodawer, A, Smith-Gill, S. | | Deposit date: | 2008-05-27 | | Release date: | 2008-06-10 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Light chain somatic mutations change thermodynamics of binding and water coordination in the HyHEL-10 family of antibodies.
Mol.Immunol., 47, 2009
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4L5W
 | | Structural implications of the secondary CO2 binding pocket in human carbonic anhydrase II | | Descriptor: | Carbonic anhydrase 2, GLYCEROL, ZINC ION | | Authors: | Boone, C.D, Gill, S, McKenna, R. | | Deposit date: | 2013-06-11 | | Release date: | 2014-04-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural, catalytic and stabilizing consequences of aromatic cluster variants in human carbonic anhydrase II.
Arch.Biochem.Biophys., 539, 2013
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4L5U
 | | The structural implications of the secondary CO2 binding pocket in human carbonic anhydrase II | | Descriptor: | Carbonic anhydrase 2, GLYCEROL, ZINC ION | | Authors: | Boone, C.D, Gill, S, McKenna, R. | | Deposit date: | 2013-06-11 | | Release date: | 2014-04-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural, catalytic and stabilizing consequences of aromatic cluster variants in human carbonic anhydrase II.
Arch.Biochem.Biophys., 539, 2013
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4L5V
 | | The structural implications of the secondary CO2 binding pocket in human carbonic anhydrase II | | Descriptor: | Carbonic anhydrase 2, GLYCEROL, ZINC ION | | Authors: | Boone, C.D, Gill, S, McKenna, R. | | Deposit date: | 2013-06-11 | | Release date: | 2014-04-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Structural, catalytic and stabilizing consequences of aromatic cluster variants in human carbonic anhydrase II.
Arch.Biochem.Biophys., 539, 2013
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7RB4
 | | Crystal structure of Peptono Toxin, a diphtheria toxin homolog, from Seinonella peptonophila | | Descriptor: | Diphtheria toxin, C domain, IODIDE ION | | Authors: | Sugiman-Marangos, S.N, Gill, S.K, Melnyk, R.A. | | Deposit date: | 2021-07-05 | | Release date: | 2022-04-20 | | Last modified: | 2022-11-02 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Structures of distant diphtheria toxin homologs reveal functional determinants of an evolutionarily conserved toxin scaffold.
Commun Biol, 5, 2022
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7RI3
 | | Crystal structure of Albireti Toxin, a diphtheria toxin homolog, from Streptomyces albireticuli | | Descriptor: | ACETATE ION, CALCIUM ION, Diphtheria_T domain-containing protein, ... | | Authors: | Sugiman-Marangos, S.N, Gill, S.K, Melnyk, R.A. | | Deposit date: | 2021-07-19 | | Release date: | 2022-04-20 | | Last modified: | 2022-11-02 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Structures of distant diphtheria toxin homologs reveal functional determinants of an evolutionarily conserved toxin scaffold.
Commun Biol, 5, 2022
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2ZNW
 | | Crystal Structure of ScFv10 in Complex with Hen Egg Lysozyme | | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, Lysozyme C, ScFv10 | | Authors: | DeSantis, M.E, Acchione, M, Li, M, Walter, R.L, Wlodawer, A, Smith-Gill, S. | | Deposit date: | 2008-05-02 | | Release date: | 2009-01-27 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Specific fluorine labeling of the HyHEL10 antibody affects antigen binding and dynamics
Biochemistry, 51, 2012
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2ZNX
 | | 5-Fluorotryptophan Incorporated ScFv10 Complexed to Hen Egg Lysozyme | | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, Lysozyme C, ScFv | | Authors: | DeSantis, M.E, Acchione, M, Li, M, Walter, R.L, Wlodawer, A, Smith-Gill, S. | | Deposit date: | 2008-05-02 | | Release date: | 2009-01-27 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Specific fluorine labeling of the HyHEL10 antibody affects antigen binding and dynamics
Biochemistry, 51, 2012
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1NBY
 | | Crystal Structure of HyHEL-63 complexed with HEL mutant K96A | | Descriptor: | Lysozyme C, antibody kappa light chain, immunoglobulin gamma 1 chain | | Authors: | Mariuzza, R.A, Li, Y, Urrutia, M, Smith-Gill, S.J. | | Deposit date: | 2002-12-04 | | Release date: | 2003-04-01 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Dissection of binding interactions in the complex between the anti-lysozyme antibody HyHEL-63 and its antigen
Biochemistry, 42, 2003
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1NDG
 | | Crystal structure of Fab fragment of antibody HyHEL-8 complexed with its antigen lysozyme | | Descriptor: | ACETIC ACID, Lysozyme C, antibody kappa light chain, ... | | Authors: | Mariuzza, R.A, Li, Y, Li, H, Yang, F, Smith-Gill, S.J. | | Deposit date: | 2002-12-09 | | Release date: | 2003-06-03 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | X-ray snapshots of the maturation of an antibody response to a protein antigen
Nat.Struct.Biol., 10, 2003
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1NBZ
 | | Crystal Structure of HyHEL-63 complexed with HEL mutant K97A | | Descriptor: | Lysozyme C, antibody kappa light chain, immunoglobulin gamma 1 chain | | Authors: | Mariuzza, R.A, Li, Y, Urrutia, M, Smith-Gill, S.J. | | Deposit date: | 2002-12-04 | | Release date: | 2003-04-01 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Dissection of binding interactions in the complex between the anti-lysozyme antibody HyHEL-63 and its antigen
Biochemistry, 42, 2003
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1XGR
 | | Structure for antibody HyHEL-63 Y33I mutant complexed with hen egg lysozyme | | Descriptor: | Lysozyme C, antibody kappa heavy chain, antibody kappa light chain | | Authors: | Li, Y, Huang, Y, Swaminathan, C.P, Smith-Gill, S.J, Mariuzza, R.A. | | Deposit date: | 2004-09-17 | | Release date: | 2005-09-06 | | Last modified: | 2013-10-02 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Magnitude of the hydrophobic effect at central versus peripheral sites in protein-protein interfaces
Structure, 13, 2005
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1XGU
 | | Structure for antibody HyHEL-63 Y33F mutant complexed with hen egg lysozyme | | Descriptor: | Lysozyme C, antibody kappa heavy chain, antibody kappa light chain | | Authors: | Li, Y, Huang, Y, Swaminathan, C.P, Smith-Gill, S.J, Mariuzza, R.A. | | Deposit date: | 2004-09-17 | | Release date: | 2005-09-06 | | Last modified: | 2013-10-02 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Magnitude of the hydrophobic effect at central versus peripheral sites in protein-protein interfaces
Structure, 13, 2005
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