1YKO
 
 | | Protocatechuate 3,4-Dioxygenase Y408H mutant | | Descriptor: | FE (III) ION, Protocatechuate 3,4-dioxygenase alpha chain, Protocatechuate 3,4-dioxygenase beta chain | | Authors: | Brown, C.K, Ohlendorf, D.H. | | Deposit date: | 2005-01-18 | | Release date: | 2005-08-16 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Roles of the equatorial tyrosyl iron ligand of protocatechuate 3,4-dioxygenase in catalysis
Biochemistry, 44, 2005
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1YKP
 | | Protocatechuate 3,4-Dioxygenase Y408H mutant bound to DHB | | Descriptor: | 3,4-DIHYDROXYBENZOIC ACID, FE (III) ION, Protocatechuate 3,4-dioxygenase alpha chain, ... | | Authors: | Brown, C.K, Ohlendorf, D.H. | | Deposit date: | 2005-01-18 | | Release date: | 2005-08-16 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Roles of the equatorial tyrosyl iron ligand of protocatechuate 3,4-dioxygenase in catalysis
Biochemistry, 44, 2005
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3G4M
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7UWM
 | | Structure of the IL-17A-IL-17RA binary complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-17 receptor A, ... | | Authors: | Wilson, S.C, Caveney, N.A, Jude, K.M, Garcia, K.C. | | Deposit date: | 2022-05-03 | | Release date: | 2022-07-27 | | Last modified: | 2022-09-28 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Organizing structural principles of the IL-17 ligand-receptor axis.
Nature, 609, 2022
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7QUM
 | | ATAD2 in complex with FragLite2 | | Descriptor: | 1,2-ETHANEDIOL, 4-IODOPYRAZOLE, ATPase family AAA domain-containing protein 2, ... | | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | | Deposit date: | 2022-01-18 | | Release date: | 2023-03-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
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7QZM
 | | ATAD2 in complex with FragLite28 | | Descriptor: | 1,2-ETHANEDIOL, 4-bromo-1-(2-hydroxyethyl)pyridin-2(1H)-one, ATPase family AAA domain-containing protein 2, ... | | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | | Deposit date: | 2022-01-31 | | Release date: | 2023-03-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
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7QYK
 | | ATAD2 in complex with FragLite18 | | Descriptor: | (4-bromanylpyridin-2-yl)methanol, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ... | | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | | Deposit date: | 2022-01-28 | | Release date: | 2023-03-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
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7UWN
 | | Structure of the IL-17A-IL-17RA-IL-17RC ternary complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-17 receptor A, ... | | Authors: | Wilson, S.C, Caveney, N.A, Jude, K.M, Garcia, K.C. | | Deposit date: | 2022-05-03 | | Release date: | 2022-07-27 | | Last modified: | 2022-09-28 | | Method: | ELECTRON MICROSCOPY (3.01 Å) | | Cite: | Organizing structural principles of the IL-17 ligand-receptor axis.
Nature, 609, 2022
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6HM5
 | | Crystal structure of TOPBP1 BRCT0,1,2 in complex with a RAD9 phosphopeptide | | Descriptor: | Cell cycle checkpoint control protein RAD9A, DNA topoisomerase II binding protein 1 | | Authors: | Day, M, Rappas, M, Oliver, A.W, Pearl, L.H. | | Deposit date: | 2018-09-12 | | Release date: | 2018-10-17 | | Method: | X-RAY DIFFRACTION (2.330038 Å) | | Cite: | BRCT domains of the DNA damage checkpoint proteins TOPBP1/Rad4 display distinct specificities for phosphopeptide ligands.
Elife, 7, 2018
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6HBT
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2Y7Y
 | | APLYSIA CALIFORNICA ACHBP IN APO STATE | | Descriptor: | SOLUBLE ACETYLCHOLINE RECEPTOR | | Authors: | Ulens, C, Akdemir, A, Jongejan, A, van Elk, R, Bertrand, S, Perrakis, A, Leurs, R, Smit, A.B, Sixma, T.K, Bertrand, D, De Esch, I.J. | | Deposit date: | 2011-02-02 | | Release date: | 2011-03-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.895 Å) | | Cite: | Use of Acetylcholine Binding Protein in the Search for Novel Alpha7 Nicotinic Receptor Ligands. In Silico Docking, Pharmacological Screening, and X-Ray Analysis.
J.Med.Chem., 52, 2009
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3HSP
 | | Ternary structure of neuronal nitric oxide synthase with NHA and NO bound(2) | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, GLYCEROL, ... | | Authors: | Doukov, T, Li, H, Soltis, M, Poulos, T.L. | | Deposit date: | 2009-06-10 | | Release date: | 2009-10-20 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Single crystal structural and absorption spectral characterizations of nitric oxide synthase complexed with N(omega)-hydroxy-L-arginine and diatomic ligands.
Biochemistry, 48, 2009
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5IZF
 | | Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1408 | | Descriptor: | 6J9-ZEU-DAR-ACA-DAR-NH2, SULFATE ION, cAMP-dependent protein kinase catalytic subunit alpha | | Authors: | Pflug, A, Enkvist, E, Uri, A, Engh, R.A. | | Deposit date: | 2016-03-25 | | Release date: | 2016-07-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Bifunctional Ligands for Inhibition of Tight-Binding Protein-Protein Interactions.
Bioconjug.Chem., 27, 2016
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3QCC
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6HM3
 | | Crystal structure of Rad4 BRCT1,2 in complex with a Sld3 phosphopeptide | | Descriptor: | CALCIUM ION, DNA replication regulator sld3, GLYCEROL, ... | | Authors: | Day, M, Rappas, M, Oliver, A.W, Pearl, L.H. | | Deposit date: | 2018-09-12 | | Release date: | 2018-10-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.77263618 Å) | | Cite: | BRCT domains of the DNA damage checkpoint proteins TOPBP1/Rad4 display distinct specificities for phosphopeptide ligands.
Elife, 7, 2018
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1H9Q
 | | H119Q CARBONIC ANHYDRASE II | | Descriptor: | CARBONIC ANHYDRASE II, ZINC ION | | Authors: | Lesburg, C.A, Christianson, D.W. | | Deposit date: | 1997-05-29 | | Release date: | 1997-09-17 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Histidine --> carboxamide ligand substitutions in the zinc binding site of carbonic anhydrase II alter metal coordination geometry but retain catalytic activity.
Biochemistry, 36, 1997
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1H9N
 | | H119N CARBONIC ANHYDRASE II | | Descriptor: | CARBONIC ANHYDRASE II, ZINC ION | | Authors: | Lesburg, C.A, Christianson, D.W. | | Deposit date: | 1997-05-29 | | Release date: | 1997-09-17 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Histidine --> carboxamide ligand substitutions in the zinc binding site of carbonic anhydrase II alter metal coordination geometry but retain catalytic activity.
Biochemistry, 36, 1997
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6QF4
 | | X-Ray structure of human Serine/Threonine Kinase 17B (STK17B) aka DRAK2 in complex with ADP obtained by on-chip soaking | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Lieske, J, Cerv, M, Kreida, S, Barthelmess, M, Fischer, P, Pakendorf, T, Yefanov, O, Mariani, V, Seine, T, Ross, B.H, Crosas, E, Lorbeer, O, Burkhardt, A, Lane, T.J, Guenther, S, Bergtholdt, J, Schoen, S, Tornroth-Horsefield, S, Chapman, H.N, Meents, A. | | Deposit date: | 2019-01-09 | | Release date: | 2019-07-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.495 Å) | | Cite: | On-chip crystallization for serial crystallography experiments and on-chip ligand-binding studies.
Iucrj, 6, 2019
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3GAO
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7R05
 | | ATAD2 in complex with PepLite-Ile | | Descriptor: | (2~{S},3~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)-3-methyl-pentanamide, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ... | | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | | Deposit date: | 2022-02-01 | | Release date: | 2022-11-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
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7R0Y
 | | ATAD2 in complex with PepLite-Glu | | Descriptor: | (2~{S})-2-acetamido-~{N}-prop-2-enyl-pentanediamide, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ... | | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | | Deposit date: | 2022-02-02 | | Release date: | 2022-11-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
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7QZZ
 | | ATAD2 in complex with FragLite31 | | Descriptor: | 1,2-ETHANEDIOL, 2-(4-bromanyl-2-methoxy-phenyl)ethanoic acid, ATPase family AAA domain-containing protein 2, ... | | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | | Deposit date: | 2022-02-01 | | Release date: | 2022-12-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
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7R00
 | | ATAD2 in complex with FragLite33 | | Descriptor: | 1,2-ETHANEDIOL, 3-azanyl-5-bromanyl-1-methyl-pyridin-2-one, ATPase family AAA domain-containing protein 2, ... | | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | | Deposit date: | 2022-02-01 | | Release date: | 2022-12-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
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2QA6
 | | Crystal Structure of Estrogen Receptor Alpha mutant 537S Complexed with 4-(6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol | | Descriptor: | 4-(6-HYDROXY-1H-INDAZOL-3-YL)BENZENE-1,3-DIOL, Estrogen receptor, nuclear receptor coactivator 2 | | Authors: | Nettles, K.W, Bruning, J.B, Nowak, J, Sharma, S.K, Hahm, J.B, Shi, Y, Kulp, K, Hochberg, R.B, Zhou, H, Katzenellenbogen, J.A, Katzenellenbogen, B.S, Kim, Y, Joachmiak, A, Greene, G.L. | | Deposit date: | 2007-06-14 | | Release date: | 2008-03-18 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses
Nat.Chem.Biol., 4, 2008
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6HM4
 | | Crystal structure of Rad4 BRCT1,2 in complex with a Mdb1 phosphopeptide | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DNA damage response protein Mdb1, ... | | Authors: | Day, M, Rappas, M, Oliver, A.W, Pearl, L.H. | | Deposit date: | 2018-09-12 | | Release date: | 2018-10-17 | | Method: | X-RAY DIFFRACTION (1.770186 Å) | | Cite: | BRCT domains of the DNA damage checkpoint proteins TOPBP1/Rad4 display distinct specificities for phosphopeptide ligands.
Elife, 7, 2018
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