4YGK
 
 | | NaSCN--Interactions between Hofmeister Anions and the Binding Pocket of a Protein | | Descriptor: | Carbonic anhydrase 2, HYDROXIDE ION, THIOCYANATE ION, ... | | Authors: | Fox, J.M, Kang, K, Sherman, W, Heroux, A, Sastry, G.M, Baghbanzadeh, M, Lockett, M.R, Whitesides, G.M. | | Deposit date: | 2015-02-26 | | Release date: | 2015-03-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Interactions between Hofmeister Anions and the Binding Pocket of a Protein.
J.Am.Chem.Soc., 137, 2015
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1YGJ
 | | Crystal Structure of Pyridoxal Kinase in Complex with Roscovitine and Derivatives | | Descriptor: | (2R)-2-({6-[BENZYL(METHYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)BUTAN-1-OL, Pyridoxal kinase | | Authors: | Tang, L, Li, M.-H, Cao, P, Wang, F, Chang, W.-R, Bach, S, Reinhardt, J, Ferandin, Y, Koken, M, Galons, H, Wan, Y, Gray, N, Meijer, L, Jiang, T, Liang, D.-C. | | Deposit date: | 2005-01-05 | | Release date: | 2005-07-05 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of pyridoxal kinase in complex with roscovitine and derivatives
J.Biol.Chem., 280, 2005
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1AYZ
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1W2U
 | | X-RAY CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMICOLA GRISEA CEL12A IN COMPLEX WITH A SOAKED THIO CELLOTETRAOSE | | Descriptor: | ENDOGLUCANASE, SULFATE ION, TETRAETHYLENE GLYCOL, ... | | Authors: | Berglund, G.I, Shaw, A, Stahlberg, J, Kenne, L, Driguez, T.H, Mitchinson, C, Sandgren, M. | | Deposit date: | 2004-07-08 | | Release date: | 2004-09-16 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Crystal Complex Structures Reveal How Substrate is Bound in the -4 to the +2 Binding Sites of Humicola Grisea Cel12A
J.Mol.Biol., 342, 2004
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4G84
 | | Crystal structure of human HisRS | | Descriptor: | CHLORIDE ION, Histidine--tRNA ligase, cytoplasmic, ... | | Authors: | Wei, Z, Wu, J, Zhou, J.J, Yang, X.-L, Zhang, M, Schimmel, P. | | Deposit date: | 2012-07-21 | | Release date: | 2012-09-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Internally Deleted Human tRNA Synthetase Suggests Evolutionary Pressure for Repurposing.
Structure, 20, 2012
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3SQI
 | | DNA binding domain of Ndc10 | | Descriptor: | DNA (5'-D(P*AP*AP*AP*TP*TP*TP*TP*AP*TP*AP*AP*AP*TP*TP*A)-3'), DNA (5'-D(P*TP*TP*AP*AP*TP*TP*TP*AP*TP*AP*AP*AP*AP*TP*T)-3'), KLLA0E03807p | | Authors: | Cho, U.S, Harrison, S.C. | | Deposit date: | 2011-07-05 | | Release date: | 2011-12-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.8245 Å) | | Cite: | Ndc10 is a platform for inner kinetochore assembly in budding yeast.
Nat.Struct.Mol.Biol., 19, 2011
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2A0I
 | | F Factor TraI Relaxase Domain bound to F oriT Single-stranded DNA | | Descriptor: | F plasmid single-stranded oriT DNA, IMIDAZOLE, MAGNESIUM ION, ... | | Authors: | Larkin, C, Datta, S, Harley, M.J, Anderson, B.J, Ebie, A, Hargreaves, V, Schildbach, J.F. | | Deposit date: | 2005-06-16 | | Release date: | 2005-10-25 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Inter- and intramolecular determinants of the specificity of single-stranded DNA binding and cleavage by the f factor relaxase.
Structure, 13, 2005
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8UC0
 | | Endogenous ligand bound FLVCR1 | | Descriptor: | CHOLESTEROL HEMISUCCINATE, Heme transporter FLVCR1 | | Authors: | Hite, R.K, Son, Y. | | Deposit date: | 2023-09-25 | | Release date: | 2024-03-27 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.42 Å) | | Cite: | Structural basis of lipid head group entry to the Kennedy pathway by FLVCR1.
Nature, 629, 2024
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6ZQX
 | | Crystal structure of tetrameric fibrinogen-like recognition domain of FIBCD1 with N,N'-diacetyl chitobiose ligand bound | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, CALCIUM ION, ... | | Authors: | Shrive, A.K, Greenhough, T.J, Williams, H.M. | | Deposit date: | 2020-07-10 | | Release date: | 2021-07-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Crystal structures of human immune protein FIBCD1 suggest an extended binding site compatible with recognition of pathogen associated carbohydrate motifs
J.Biol.Chem., 2023
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3JXG
 | | CA-like domain of mouse PTPRG | | Descriptor: | Receptor-type tyrosine-protein phosphatase gamma | | Authors: | Bouyain, S. | | Deposit date: | 2009-09-19 | | Release date: | 2009-12-22 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The protein tyrosine phosphatases PTPRZ and PTPRG bind to distinct members of the contactin family of neural recognition molecules.
Proc.Natl.Acad.Sci.USA, 107, 2010
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3ZMD
 | | Crystal structure of AbsC, a MarR family transcriptional regulator from Streptomyces coelicolor | | Descriptor: | 1,2-ETHANEDIOL, 2-HYDROXYBENZOIC ACID, CHLORIDE ION, ... | | Authors: | Stevenson, C.E.M, Kock, H, Mootien, S, Davies, S.C, Bibb, M.J, Lawson, D.M. | | Deposit date: | 2013-02-07 | | Release date: | 2013-02-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal Structure of Absc, a Marr Family Transcriptional Regulator from Streptomyces Coelicolor
To be Published
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2X10
 | | Crystal structure of the complete EphA2 ectodomain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, EPHRIN TYPE-A RECEPTOR 2 | | Authors: | Seiradake, E, Harlos, K, Sutton, G, Aricescu, A.R, Jones, E.Y. | | Deposit date: | 2009-12-21 | | Release date: | 2010-03-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | An Extracellular Steric Seeding Mechanism for Eph-Ephrin Signalling Platform Assembly
Nat.Struct.Mol.Biol., 17, 2010
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2X81
 | | STRUCTURE OF AURORA A IN COMPLEX WITH MLN8054 | | Descriptor: | 4-{[9-CHLORO-7-(2,6-DIFLUOROPHENYL)-5H-PYRIMIDO[5,4-D][2]BENZAZEPIN-2-YL]AMINO}BENZOIC ACID, SERINE/THREONINE-PROTEIN KINASE 6 | | Authors: | Savory, W, Mueller, I, Mason, C.S, Lamers, M, Williams, D.H, Eyers, P.A. | | Deposit date: | 2010-03-05 | | Release date: | 2010-05-05 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Drug-Resistant Aurora a Mutants for Cellular Target Validation of the Small Molecule Kinase Inhibitors Mln8054 and Mln8237.
Acs Chem.Biol., 5, 2010
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5WJI
 | | Crystal structure of the F61S mutant of HsNUDT16 | | Descriptor: | ACETIC ACID, CHLORIDE ION, SULFATE ION, ... | | Authors: | Thirawatananond, P, Gabelli, S.B. | | Deposit date: | 2017-07-23 | | Release date: | 2018-10-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural analyses of NudT16-ADP-ribose complexes direct rational design of mutants with improved processing of poly(ADP-ribosyl)ated proteins.
Sci Rep, 9, 2019
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6P8B
 | | E.coli LpxD in complex with peptide FITC-RJPXD33 | | Descriptor: | 3-hydroxy-7,7-dimethyl-2-phenyl-4-(thiophen-2-yl)-2,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one, FITC-RJPXD33, MAGNESIUM ION, ... | | Authors: | Ma, X, Shia, S. | | Deposit date: | 2019-06-06 | | Release date: | 2019-08-28 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and Biological Basis of Small Molecule Inhibition ofEscherichia coliLpxD Acyltransferase Essential for Lipopolysaccharide Biosynthesis.
Acs Infect Dis., 6, 2020
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8IJC
 | | NMR solution structure of the 1:1 complex of a platinum(II) ligand L1-transpt covalently bound to a G-quadruplex MYT1L | | Descriptor: | G-quadruplex DNA MYT1L, Pt(NH3)2(2-(pyridin-4-ylmethyl)benzo-[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone) | | Authors: | Liu, L.-Y, Mao, Z.-W. | | Deposit date: | 2023-02-27 | | Release date: | 2023-06-28 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Organic-Platinum Hybrids for Covalent Binding of G-Quadruplexes: Structural Basis and Application to Cancer Immunotherapy.
Angew.Chem.Int.Ed.Engl., 62, 2023
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3V4A
 | | Structure of ar lbd with activator peptide and sarm inhibitor 2 | | Descriptor: | (5R)-3-(3,4-dichlorophenyl)-5-(4-hydroxyphenyl)-1,5-dimethyl-2-thioxoimidazolidin-4-one, Androgen receptor, SULFATE ION | | Authors: | Nique, F, Hebbe, S, Peixoto, C, Annoot, D, Lefrancois, J.-M, Duval, E, Michoux, L, Triballeau, N, Lemoullec, J.M, Mollat, P, Thauvin, M, Prange, T, Minet, D, Clement-Lacroix, P, Robin-Jagerschmidt, C, Fleury, D, Guedin, D, Deprez, P. | | Deposit date: | 2011-12-14 | | Release date: | 2012-09-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Discovery of diarylhydantoins as new selective androgen receptor modulators.
J.Med.Chem., 55, 2012
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2PIE
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8ICD
 | | REGULATION OF AN ENZYME BY PHOSPHORYLATION AT THE ACTIVE SITE | | Descriptor: | ISOCITRATE DEHYDROGENASE, ISOCITRIC ACID, MAGNESIUM ION | | Authors: | Hurley, J.H, Dean, A.M, Sohl, J.L, Koshlandjunior, D.E, Stroud, R.M. | | Deposit date: | 1990-05-30 | | Release date: | 1991-10-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Regulation of an enzyme by phosphorylation at the active site.
Science, 249, 1990
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6D7M
 | | Crystal structure of the W184R/W231R Importin alpha mutant | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Peroxidase,Importin subunit alpha-1, ... | | Authors: | Pedersen, L.C, London, R.E, Gabel, S.A. | | Deposit date: | 2018-04-25 | | Release date: | 2019-03-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.187 Å) | | Cite: | Variations in nuclear localization strategies among pol X family enzymes.
Traffic, 2018
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1YHJ
 | | Crystal Structure of Pyridoxal Kinase in Complex with Roscovitine and Derivatives | | Descriptor: | (2R)-2-{[6-(BENZYLOXY)-9-ISOPROPYL-9H-PURIN-2-YL]AMINO}BUTAN-1-OL, Pyridoxal Kinase | | Authors: | Tang, L, Li, M.-H, Cao, P, Wang, F, Chang, W.-R, Bach, S, Reinhardt, J, Ferandin, Y, Koken, M, Galons, H, Wan, Y, Gray, N, Meijer, L, Jiang, T, Liang, D.-C. | | Deposit date: | 2005-01-09 | | Release date: | 2005-07-05 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of pyridoxal kinase in complex with roscovitine and derivatives.
J.Biol.Chem., 280, 2005
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5T64
 | | X-ray structure of the C3-methyltransferase KijD1 from Actinomadura kijaniata in complex with TDP and SAH | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | Holden, H.M, Thoden, J.B, DOW, G.T. | | Deposit date: | 2016-09-01 | | Release date: | 2016-09-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural studies on KijD1, a sugar C-3'-methyltransferase.
Protein Sci., 25, 2016
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3DN5
 | | Aldose Reductase in complex with novel biarylic inhibitor | | Descriptor: | 3-[5-(3-nitrophenyl)thiophen-2-yl]propanoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Steuber, H, Klebe, G. | | Deposit date: | 2008-07-01 | | Release date: | 2009-04-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structure-Based Optimization of Aldose Reductase Inhibitors Originating from Virtual Screening
Chemmedchem, 4, 2009
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1V1A
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8JNB
 | | CRAF ras-binding domain chimera, ligand complex | | Descriptor: | 2-[4-[[(2S)-1-ethanoyl-3-oxidanylidene-2H-indol-2-yl]methyl]-2-methoxy-phenoxy]ethanamide, RAF proto-oncogene serine/threonine-protein kinase, CRaf | | Authors: | Kawamura, T, Kumasaka, T. | | Deposit date: | 2023-06-06 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Small-molecule RAS/RAF-binding Inhibitors Allosterically Disrupt RAF Conformation and Exert Efficacy Against Broad-spectrum RAS-driven Cancers
To Be Published
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