8GFL
 
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3K0D
 | | Crystal Structure of CNG mimicking NaK mutant, NaK-ETPP, K+ complex | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein NaK | | Authors: | Jiang, Y, Derebe, M.G. | | Deposit date: | 2009-09-24 | | Release date: | 2011-01-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural studies of ion permeation and Ca2+ blockage of a bacterial channel mimicking the cyclic nucleotide-gated channel pore.
Proc.Natl.Acad.Sci.USA, 108, 2011
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8GU7
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8GT9
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3KEG
 | | X-ray Crystallographic Structure of a Y131F mutant of Pseudomonas Aeruginosa Azoreductase in complex with Methyl RED | | Descriptor: | 2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID, FLAVIN MONONUCLEOTIDE, FMN-dependent NADH-azoreductase 1, ... | | Authors: | Wang, C.-J, Laurieri, N, Abuhammad, A, Lowe, E, Westwood, I, Ryan, A, Sim, E. | | Deposit date: | 2009-10-26 | | Release date: | 2010-01-12 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Role of tyrosine 131 in the active site of paAzoR1, an azoreductase with specificity for the inflammatory bowel disease prodrug balsalazide
Acta Crystallogr.,Sect.F, 66, 2010
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8G47
 | | KRAS G12C complex with GDP and AMG 510 imaged on a cryo-EM imaging scaffold | | Descriptor: | AMG 510 (bound form), GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Castells-Graells, R, Sawaya, M.R, Yeates, T.O. | | Deposit date: | 2023-02-08 | | Release date: | 2023-08-09 | | Last modified: | 2023-09-27 | | Method: | ELECTRON MICROSCOPY (3.19 Å) | | Cite: | Cryo-EM structure determination of small therapeutic protein targets at 3 angstrom -resolution using a rigid imaging scaffold.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8G4H
 | | KRAS G13C complex with GDP imaged on a cryo-EM imaging scaffold | | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Castells-Graells, R, Sawaya, M.R, Yeates, T.O. | | Deposit date: | 2023-02-09 | | Release date: | 2023-08-09 | | Last modified: | 2023-09-27 | | Method: | ELECTRON MICROSCOPY (2.87 Å) | | Cite: | Cryo-EM structure determination of small therapeutic protein targets at 3 angstrom -resolution using a rigid imaging scaffold.
Proc.Natl.Acad.Sci.USA, 120, 2023
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3K08
 | | Crystal Structure of CNG mimicking NaK mutant, NaK-NTPP, Na+ complex | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Potassium channel protein NaK, SODIUM ION | | Authors: | Jiang, Y, Derebe, M.G. | | Deposit date: | 2009-09-24 | | Release date: | 2011-01-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Structural studies of ion permeation and Ca2+ blockage of a bacterial channel mimicking the cyclic nucleotide-gated channel pore.
Proc.Natl.Acad.Sci.USA, 108, 2011
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6W9I
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2V9C
 | | X-ray Crystallographic Structure of a Pseudomonas aeruginosa Azoreductase in Complex with Methyl Red. | | Descriptor: | 2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID, FLAVIN MONONUCLEOTIDE, FMN-DEPENDENT NADH-AZOREDUCTASE 1, ... | | Authors: | Wang, C.-J, Hagemeier, C, Rahman, N, Lowe, E.D, Noble, M.E.M, Coughtrie, M, Sim, E, Westwood, I.M. | | Deposit date: | 2007-08-23 | | Release date: | 2007-11-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Molecular Cloning, Characterisation and Ligand- Bound Structure of an Azoreductase from Pseudomonas Aeruginosa
J.Mol.Biol., 373, 2007
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6VZF
 | | Crystal Structure of Atg11 Coiled-Coil 3 | | Descriptor: | Autophagy-related protein 11, SULFATE ION | | Authors: | Margolis, H.K, Ragusa, M.J. | | Deposit date: | 2020-02-28 | | Release date: | 2020-09-16 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | The Third Coiled Coil Domain of Atg11 Is Required for Shaping Mitophagy Initiation Sites.
J.Mol.Biol., 432, 2020
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6VNE
 | | JAK2 JH1 in complex with Fedratinib | | Descriptor: | N-tert-butyl-3-{[5-methyl-2-({4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide, Tyrosine-protein kinase JAK2 | | Authors: | Davis, R.R, Schonbrunn, E. | | Deposit date: | 2020-01-29 | | Release date: | 2021-02-17 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
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3JRY
 | | Human Serum albumin with bound Sulfate | | Descriptor: | SULFATE ION, Serum albumin | | Authors: | Hein, K.L, Kragh-Hansen, U, Morth, J.P, Nissen, P. | | Deposit date: | 2009-09-09 | | Release date: | 2010-04-21 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystallographic analysis reveals a unique lidocaine binding site on human serum albumin.
J.Struct.Biol., 171, 2010
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6VHZ
 | | Klebsiella oxytoca NpsA N-terminal subdomain in complex with anthranilyl-AMSN | | Descriptor: | 5'-{[(benzenecarbonyl)sulfamoyl]amino}-5'-deoxyadenosine, BROMIDE ION, CHLORIDE ION, ... | | Authors: | Kreitler, D.F, Gulick, A.M. | | Deposit date: | 2020-01-10 | | Release date: | 2020-06-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Biosynthesis, Mechanism of Action, and Inhibition of the Enterotoxin Tilimycin Produced by the Opportunistic PathogenKlebsiella oxytoca.
Acs Infect Dis., 6, 2020
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6W9N
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6TEN
 | | Crystal structure of Dot1L in complex with an inhibitor (compound 11). | | Descriptor: | 3-[(4-azanyl-6-methoxy-1,3,5-triazin-2-yl)amino]-4-[[(~{S})-[2,2-bis(fluoranyl)-1,3-benzodioxol-4-yl]-(3-chloranylpyridin-2-yl)methyl]amino]benzenesulfonamide, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... | | Authors: | Scheufler, C, Stauffer, F, Be, C, Moebitz, H. | | Deposit date: | 2019-11-12 | | Release date: | 2019-12-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | New Potent DOT1L Inhibitors forin VivoEvaluation in Mouse.
Acs Med.Chem.Lett., 10, 2019
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3K06
 | | Crystal Structure of CNG mimicking NaK mutant, NaK-NTPP, K+ complex | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein NaK | | Authors: | Jiang, Y, Derebe, M.G. | | Deposit date: | 2009-09-24 | | Release date: | 2011-01-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Structural studies of ion permeation and Ca2+ blockage of a bacterial channel mimicking the cyclic nucleotide-gated channel pore.
Proc.Natl.Acad.Sci.USA, 108, 2011
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3K0G
 | | Crystal Structure of CNG mimicking NaK mutant, NaK-ETPP, Na+ complex | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Potassium channel protein NaK, SODIUM ION | | Authors: | Jiang, Y, Derebe, M.G. | | Deposit date: | 2009-09-24 | | Release date: | 2011-01-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural studies of ion permeation and Ca2+ blockage of a bacterial channel mimicking the cyclic nucleotide-gated channel pore.
Proc.Natl.Acad.Sci.USA, 108, 2011
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6TM9
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7B9X
 | | NMR2 structure of TRIM24-BD in complex with a precursor of IACS-9571 | | Descriptor: | N-{6-[3-(4-Aminobutoxy)-5-propoxyphenoxy]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-3,4-dimethoxybenzene-1-sulfonamide, Transcription intermediary factor 1-alpha | | Authors: | Orts, J, Torres, F, Milbradt, A.G, Walser, R. | | Deposit date: | 2020-12-14 | | Release date: | 2022-01-12 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | NMR Molecular Replacement Provides New Insights into Binding Modes to Bromodomains of BRD4 and TRIM24.
J.Med.Chem., 65, 2022
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3K1W
 | | New Classes of Potent and Bioavailable Human Renin Inhibitors | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetylamino-2-deoxy-alpha-L-idopyranose, 4-{4-[3-(2-bromo-5-fluorophenoxy)propyl]phenyl}-N-(2-chlorobenzyl)-N-cyclopropyl-1,2,5,6-tetrahydropyridine-3-carboxamide, ... | | Authors: | Prade, L. | | Deposit date: | 2009-09-29 | | Release date: | 2010-03-02 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | New classes of potent and bioavailable human renin inhibitors
Bioorg.Med.Chem.Lett., 19, 2009
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3K47
 | | Alternate Binding Modes Observed for the E- and Z-Isomers of 2,4-Diaminofuro[2,3-d]pyrimidines as Ternary Complexes with NADPH and Mouse Dihydrofolate Reductase | | Descriptor: | 5-[(1E)-2-(2-methoxyphenyl)prop-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Cody, V, Pace, J, Queener, S.F, Gangjee, A. | | Deposit date: | 2009-10-05 | | Release date: | 2009-10-13 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Design, synthesis, and X-ray crystal structures of 2,4-diaminofuro[2,3-d]pyrimidines as multireceptor tyrosine kinase and dihydrofolate reductase inhibitors.
Bioorg.Med.Chem., 17, 2009
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3K04
 | | Crystal Structure of CNG mimicking NaK mutant, NaK-DTPP, Na+ complex | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Potassium channel protein NaK, SODIUM ION | | Authors: | Jiang, Y, Derebe, M.G. | | Deposit date: | 2009-09-24 | | Release date: | 2011-01-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Structural studies of ion permeation and Ca2+ blockage of a bacterial channel mimicking the cyclic nucleotide-gated channel pore.
Proc.Natl.Acad.Sci.USA, 108, 2011
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3L1L
 | | Structure of Arg-bound Escherichia coli AdiC | | Descriptor: | ARGININE, Arginine/agmatine antiporter, nonyl beta-D-glucopyranoside | | Authors: | Gao, X, Zhou, L, Shi, Y. | | Deposit date: | 2009-12-13 | | Release date: | 2010-02-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.002 Å) | | Cite: | Mechanism of substrate recognition and transport by an amino acid antiporter
Nature, 463, 2010
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2D5I
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