2XD7
 
 | | Crystal structure of the macro domain of human core histone H2A | | Descriptor: | CORE HISTONE MACRO-H2A.2 | | Authors: | Vollmar, M, Phillips, C, Carpenter, E.P, Muniz, J.R.C, Krojer, T, Ugochukwu, E, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Gileadi, O. | | Deposit date: | 2010-04-29 | | Release date: | 2010-05-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Crystal Structure of the Macro Domain of Human Core Histone H2A
To be Published
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6Q84
 | | Crystal structure of RanGTP-Pdr6-eIF5A export complex | | Descriptor: | Eukaryotic translation initiation factor 5A-1, GTP-binding nuclear protein Ran, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Aksu, M, Trakhanov, S, Vera-Rodriguez, A, Gorlich, D. | | Deposit date: | 2018-12-14 | | Release date: | 2019-05-01 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Structural basis for the nuclear import and export functions of the biportin Pdr6/Kap122.
J.Cell Biol., 218, 2019
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2Z3Y
 | | Crystal structure of Lysine-specific demethylase1 | | Descriptor: | Lysine-specific histone demethylase 1, [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL (2R,3S,4S)-5-[7,8-DIMETHYL-2,4-DIOXO-5-(3-PHENYLPROPANOYL)-1,3,4,5-TETRAHYDROBENZO[G]PTERIDIN-10(2H)-YL]-2,3,4-TRIHYDROXYPENTYL DIHYDROGEN DIPHOSPHATE | | Authors: | Mimasu, S, Sengoku, T, Umehara, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2007-06-08 | | Release date: | 2008-01-01 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal structure of histone demethylase LSD1 and tranylcypromine at 2.25A
Biochem.Biophys.Res.Commun., 366, 2008
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6Q0D
 | | CRYSTAL STRUCTURE OF LDHA IN COMPLEX WITH COMPOUND NCGC00384414-01 AT 2.05 A RESOLUTION | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-{3-[3-(cyclopentylethynyl)-4-fluorophenyl]-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, GLYCEROL, ... | | Authors: | Dranow, D.M, Davies, D.R. | | Deposit date: | 2019-08-01 | | Release date: | 2020-09-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Pyrazole-Based Lactate Dehydrogenase Inhibitors with Optimized Cell Activity and Pharmacokinetic Properties.
J.Med.Chem., 63, 2020
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2ZO2
 | | Mouse NP95 SRA domain non-specific DNA complex | | Descriptor: | DNA (5'-D(*DAP*DAP*DCP*DTP*DGP*DCP*DGP*DCP*DAP*DGP*DTP*DT)-3'), E3 ubiquitin-protein ligase UHRF1, PHOSPHATE ION | | Authors: | Hashimoto, H, Horton, J.R, Cheng, X. | | Deposit date: | 2008-05-05 | | Release date: | 2008-09-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.09 Å) | | Cite: | The SRA domain of UHRF1 flips 5-methylcytosine out of the DNA helix
Nature, 455, 2008
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6Q3M
 | | Structure of CHD4 PHD2 - tandem chromodomains | | Descriptor: | 1,2-ETHANEDIOL, Chromodomain-helicase-DNA-binding protein 4, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Alt, A, Mancini, E.J. | | Deposit date: | 2018-12-04 | | Release date: | 2019-12-25 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Structure of histone readers
To Be Published
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2Z5U
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1D6N
 | | TERNARY COMPLEX STRUCTURE OF HUMAN HGPRTASE, PRPP, MG2+, AND THE INHIBITOR HPP REVEALS THE INVOLVEMENT OF THE FLEXIBLE LOOP IN SUBSTRATE BINDING | | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 3H-PYRAZOLO[4,3-D]PYRIMIDIN-7-OL, MAGNESIUM ION, ... | | Authors: | Balendiran, G.K. | | Deposit date: | 1999-10-14 | | Release date: | 1999-12-30 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Ternary complex structure of human HGPRTase, PRPP, Mg2+, and the inhibitor HPP reveals the involvement of the flexible loop in substrate binding.
Protein Sci., 8, 1999
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1CKR
 | | HIGH RESOLUTION SOLUTION STRUCTURE OF THE HEAT SHOCK COGNATE-70 KD SUBSTRATE BINDING DOMAIN OBTAINED BY MULTIDIMENSIONAL NMR TECHNIQUES | | Descriptor: | HEAT SHOCK SUBSTRATE BINDING DOMAIN OF HSC-70 | | Authors: | Morshauser, R.C, Hu, W, Wang, H, Pang, Y, Flynn, G.C, Zuiderweg, E.R.P. | | Deposit date: | 1999-04-22 | | Release date: | 1999-04-30 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | High-resolution solution structure of the 18 kDa substrate-binding domain of the mammalian chaperone protein Hsc70.
J.Mol.Biol., 289, 1999
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6Q3Y
 | | Crystal structure of the first bromodomain of human BRD4 in complex with the inhibitor 16i | | Descriptor: | (7~{R})-2-[[2-ethoxy-4-(1-methylpiperidin-4-yl)phenyl]amino]-7-ethyl-5-methyl-8-(phenylmethyl)-7~{H}-pteridin-6-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | | Authors: | Heidenreich, D, Watts, E, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Knapp, S, Hoelder, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-12-04 | | Release date: | 2019-03-06 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Designing Dual Inhibitors of Anaplastic Lymphoma Kinase (ALK) and Bromodomain-4 (BRD4) by Tuning Kinase Selectivity.
J.Med.Chem., 62, 2019
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1CWO
 | | HUMAN CYCLOPHILIN A COMPLEXED WITH THR2, LEU5, D-HIV8, LEU10 CYCLOSPORIN | | Descriptor: | CYCLOSPORIN C, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A | | Authors: | Mikol, V, Kallen, J, Taylor, P, Walkinshaw, M.D. | | Deposit date: | 1998-06-05 | | Release date: | 1998-08-12 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Conformational Differences of an Immunosuppressant Peptolide in a Single Crystal and in a Crystal Complex with Human Cyclophilin A.
J.Mol.Biol., 283, 1998
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1EWE
 | | Fructose 1,6-Bisphosphate Aldolase from Rabbit Muscle | | Descriptor: | FRUCTOSE 1,6-BISPHOSPHATE ALDOLASE, SULFATE ION | | Authors: | Maurady, A, Sygusch, J. | | Deposit date: | 2000-04-25 | | Release date: | 2001-01-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A conserved glutamate residue exhibits multifunctional catalytic roles in
D-fructose-1,6-bisphosphate aldolases.
J.Biol.Chem., 277, 2002
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6Q8F
 | | Nterminal domain of human SMU1 | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, WD40 repeat-containing protein SMU1 | | Authors: | Tengo, L, Le Corre, L, Fournier, G, Ashraf, U, Busca, P, Rameix-Welti, M.-A, Gravier-Pelletier, C, Ruigrok, R.W.H, Jacob, Y, Vidalain, P.-O, Pietrancosta, N, Naffakh, N, McCarthy, A.A, Crepin, T. | | Deposit date: | 2018-12-14 | | Release date: | 2019-05-22 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Destabilization of the human RED-SMU1 splicing complex as a basis for host-directed antiinfluenza strategy.
Proc.Natl.Acad.Sci.USA, 116, 2019
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2XO3
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2XNG
 | | Structure of Aurora-A bound to a selective imidazopyrazine inhibitor | | Descriptor: | N-(3-{3-chloro-8-[(4-morpholin-4-ylphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}benzyl)methanesulfonamide, SERINE/THREONINE-PROTEIN KINASE 6 | | Authors: | Kosmopoulou, M, Bayliss, R. | | Deposit date: | 2010-08-02 | | Release date: | 2010-09-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.605 Å) | | Cite: | Structure-based design of imidazo[1,2-a]pyrazine derivatives as selective inhibitors of Aurora-A kinase in cells.
Bioorg. Med. Chem. Lett., 20, 2010
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2ZKG
 | | Crystal structure of unliganded SRA domain of mouse Np95 | | Descriptor: | 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase UHRF1 | | Authors: | Arita, K, Ariyoshi, M, Tochio, H, Nakamura, Y, Shirakawa, M. | | Deposit date: | 2008-03-19 | | Release date: | 2008-09-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Recognition of hemi-methylated DNA by the SRA protein UHRF1 by a base-flipping mechanism
Nature, 455, 2008
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1CI6
 | | TRANSCRIPTION FACTOR ATF4-C/EBP BETA BZIP HETERODIMER | | Descriptor: | BETA-MERCAPTOETHANOL, FE (III) ION, TRANSCRIPTION FACTOR ATF-4, ... | | Authors: | Podust, L.M, Kim, Y. | | Deposit date: | 1999-04-07 | | Release date: | 2000-12-04 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of the CCAAT box/enhancer-binding protein beta activating transcription factor-4 basic leucine zipper heterodimer in the absence of DNA
J.Biol.Chem., 276, 2001
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2Y48
 | | Crystal structure of LSD1-CoREST in complex with a N-terminal SNAIL peptide | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC DEMETHYLASE 1A, REST COREPRESSOR 1, ... | | Authors: | Baron, R, Binda, C, Tortorici, M, McCammon, J.A, Mattevi, A. | | Deposit date: | 2011-01-05 | | Release date: | 2011-02-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Molecular Mimicry and Ligand Recognition in Binding and Catalysis by the Histone Demethylase Lsd1-Corest Complex.
Structure, 19, 2011
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1CWH
 | | HUMAN CYCLOPHILIN A COMPLEXED WITH 3-D-SER CYCLOSPORIN | | Descriptor: | CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A | | Authors: | Mikol, V, Kallen, J, Taylor, P, Walkinshaw, M.D. | | Deposit date: | 1998-05-07 | | Release date: | 1998-07-15 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | X-Ray Structures and Analysis of 11 Cyclosporin Derivatives Complexed with Cyclophilin A.
J.Mol.Biol., 283, 1998
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2XO2
 | | Human Annexin V with incorporated Methionine analogue Azidohomoalanine | | Descriptor: | ANNEXIN A5, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Debela, M, Merkel, L, Goettig, P, Budisa, N. | | Deposit date: | 2010-08-09 | | Release date: | 2011-08-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Non-Canonical Amino Acids for Click Chemistry Reactions Incorporated in Human Annexin V
To be Published
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2XU7
 | | Structural basis for RbAp48 binding to FOG-1 | | Descriptor: | HISTONE-BINDING PROTEIN RBBP4, TETRAETHYLENE GLYCOL, ZINC FINGER PROTEIN ZFPM1 | | Authors: | Lejon, S, Thong, S.Y, Murthy, A, Blobel, G.A, Mackay, J.P, Murzina, N.V, Laue, E.D. | | Deposit date: | 2010-10-15 | | Release date: | 2010-11-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Insights Into Association of the Nurd Complex with Fog-1 from the Crystal Structure of an Rbap48-Fog- 1 Complex.
J.Biol.Chem., 286, 2011
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1DOA
 | | Structure of the rho family gtp-binding protein cdc42 in complex with the multifunctional regulator rhogdi | | Descriptor: | GERAN-8-YL GERAN, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Hoffman, G.R, Nassar, N, Cerione, R.C. | | Deposit date: | 1999-12-20 | | Release date: | 2000-02-09 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of the Rho family GTP-binding protein Cdc42 in complex with the multifunctional regulator RhoGDI.
Cell(Cambridge,Mass.), 100, 2000
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2WTW
 | | Aurora-A Inhibitor Structure (2nd crystal form) | | 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 AURORA/IPL1-RELATED KINASE 1, BREAST TUMOR-AMPLIFIED KINASE, ... | | Authors: | Kosmopoulou, M, Bayliss, R. | | Deposit date: | 2009-09-24 | | Release date: | 2010-01-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.302 Å) | | Cite: | Crystal Structure of an Aurora-A Mutant that Mimics Aurora-B Bound to Mln8054: Insights Into Selectivity and Drug Design.
Biochem.J., 427, 2010
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2X6E
 | | Aurora-A bound to an inhibitor | | Descriptor: | 6-BROMO-7-{4-[(5-METHYLISOXAZOL-3-YL)METHYL]PIPERAZIN-1-YL}-2-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]-1H-IMIDAZO[4,5-B]PYRIDINE, SERINE/THREONINE-PROTEIN KINASE 6 | | Authors: | Kosmopoulou, M, Bayliss, R. | | Deposit date: | 2010-02-17 | | Release date: | 2010-07-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.35 Å) | | Cite: | Imidazo[4,5-b]pyridine derivatives as inhibitors of Aurora kinases: lead optimization studies toward the identification of an orally bioavailable preclinical development candidate.
J. Med. Chem., 53, 2010
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1EXA
 | | ENANTIOMER DISCRIMINATION ILLUSTRATED BY CRYSTAL STRUCTURES OF THE HUMAN RETINOIC ACID RECEPTOR HRARGAMMA LIGAND BINDING DOMAIN: THE COMPLEX WITH THE ACTIVE R-ENANTIOMER BMS270394. | | Descriptor: | DODECYL-ALPHA-D-MALTOSIDE, R-3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-TETRAMETHYL-5,6,7,8,-TETRAHYDRO-NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID, RETINOIC ACID RECEPTOR GAMMA-2 | | Authors: | Klaholz, B.P, Mitschler, A, Belema, M, Zusi, C, Moras, D, Structural Proteomics in Europe (SPINE) | | Deposit date: | 2000-05-02 | | Release date: | 2000-06-09 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Enantiomer discrimination illustrated by high-resolution crystal structures of the human nuclear receptor hRARgamma.
Proc.Natl.Acad.Sci.USA, 97, 2000
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