4AKS
 
 | | PatG macrocyclase domain | | Descriptor: | THIAZOLINE OXIDASE/SUBTILISIN-LIKE PROTEASE | | Authors: | Koehnke, J, Bent, A, Houssen, W.E, Zollman, D, Morawitz, F, Shirran, S, Vendome, J, Nneoyiegbe, A.F, Trembleau, L, Botting, C.H, Smith, M.C.M, Jaspars, M, Naismith, J.H. | | Deposit date: | 2012-02-28 | | Release date: | 2012-07-18 | | Last modified: | 2013-11-06 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | The Mechanism of Patellamide Macrocyclization Revealed by the Characterization of the Patg Macrocyclase Domain.
Nat.Struct.Mol.Biol., 19, 2012
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5MQ9
 | | Crystal structure of Rae1 (YacP) from Bacillus subtilis (W164L mutant) | | Descriptor: | SULFATE ION, Uncharacterized protein YacP | | Authors: | Piton, J, Gilet, L, Pellegrini, O, Leroy, M, Figaro, S, Condon, C. | | Deposit date: | 2016-12-20 | | Release date: | 2017-04-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.174 Å) | | Cite: | Rae1/YacP, a new endoribonuclease involved in ribosome-dependent mRNA decay in Bacillus subtilis.
EMBO J., 36, 2017
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3K71
 | | Structure of integrin alphaX beta2 ectodomain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Xie, C, Zhu, J, Chen, X, Mi, L, Nishida, N, Springer, T.A. | | Deposit date: | 2009-10-11 | | Release date: | 2010-01-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.95 Å) | | Cite: | Structure of an integrin with an alphaI domain, complement receptor type 4.
Embo J., 29, 2010
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1RL8
 | | Crystal structure of the complex of resistant strain of hiv-1 protease(v82a mutant) with ritonavir | | Descriptor: | RITONAVIR, protease RETROPEPSIN | | Authors: | Rezacova, P, Brynda, J, Sedlacek, J, Konvalinka, J, Fabry, M, Horejsi, M. | | Deposit date: | 2003-11-25 | | Release date: | 2005-04-19 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the complex of resistant strain of hiv-1 protease(v82a mutant) with ritonavir
To be Published, 2005
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4A7J
 | | Symmetric Dimethylation of H3 Arginine 2 is a Novel Histone Mark that Supports Euchromatin Maintenance | | Descriptor: | HISTONE H3.1T, WD REPEAT-CONTAINING PROTEIN 5 | | Authors: | Migliori, V, Muller, J, Phalke, S, Low, D, Bezzi, M, ChuenMok, W, Gunaratne, J, Capasso, P, Bassi, C, Cecatiello, V, DeMarco, A, Blackstock, W, Kuznetsov, V, Amati, B, Mapelli, M, Guccione, E. | | Deposit date: | 2011-11-14 | | Release date: | 2012-01-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Symmetric Dimethylation of H3R2 is a Newly Identified Histone Mark that Supports Euchromatin Maintenance
Nat.Struct.Mol.Biol., 19, 2012
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4AD8
 | | Crystal structure of a deletion mutant of Deinococcus radiodurans RecN | | Descriptor: | DNA REPAIR PROTEIN RECN | | Authors: | Pellegrino, S, Radzimanowski, J, de Sanctis, D, McSweeney, S, Timmins, J. | | Deposit date: | 2011-12-22 | | Release date: | 2012-12-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.998 Å) | | Cite: | Structural and Functional Characterization of an Smc-Like Protein Recn: New Insights Into Double-Strand Break Repair.
Structure, 20, 2012
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4AHS
 | | Parallel screening of a low molecular weight compound library: do differences in methodology affect hit identification | | Descriptor: | 1,2-ETHANEDIOL, 1-BENZOFURAN-7-CARBOXYLIC ACID, ACETATE ION, ... | | Authors: | Wielens, J, Heady, S.J, Rhodes, D.I, Mulder, R.J, Dolezal, O, Deadman, J.J, Newman, J, Chalmers, D.K, Parker, M.W, Peat, T.S, Scanlon, M.J. | | Deposit date: | 2012-02-07 | | Release date: | 2012-12-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Parallel Screening of Low Molecular Weight Fragment Libraries: Do Differences in Methodology Affect Hit Identification?
J.Biomol.Screen, 18, 2013
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5GVA
 | | WD40 domain of human AND-1 | | Descriptor: | WD repeat and HMG-box DNA-binding protein 1 | | Authors: | Guan, C.C, Li, J. | | Deposit date: | 2016-09-04 | | Release date: | 2017-04-19 | | Last modified: | 2017-06-21 | | Method: | X-RAY DIFFRACTION (1.851 Å) | | Cite: | The structure and polymerase-recognition mechanism of the crucial adaptor protein AND-1 in the human replisome
J. Biol. Chem., 292, 2017
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5AR5
 | | RIP2 Kinase Catalytic Domain (1 - 310) complex with Benzimidazole | | Descriptor: | 2-(2-(4-CHLOROPHENYL)-1H-IMIDAZOL-5-YL)-N,1-BIS(2-METHOXYETHYL)-1H-BENZO[D]IMIDAZOLE-5-CARBOXAMIDE, CALCIUM ION, RECEPTOR-INTERACTING SERINE/THREONINE-PROTEIN KINASE 2 | | Authors: | Charnley, A.K, Convery, M.A, Lakdawala Shah, A, Jones, E, Hardwicke, P, Bridges, A, Votta, B.J, Gough, P.J, Marquis, R.W, Bertin, J, Casillas, L. | | Deposit date: | 2015-09-24 | | Release date: | 2015-10-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | Crystal Structures of Human Rip2 Kinase Catalytic Domain Complexed with ATP-Competitive Inhibitors: Foundations for Understanding Inhibitor Selectivity.
Bioorg.Med.Chem., 23, 2015
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1R6G
 | | Crystal structure of the thyroid hormone receptor beta ligand binding domain in complex with a beta selective compound | | Descriptor: | 2-[3,5-DIBROMO-4-(4-HYDROXY-3-{HYDROXY[(2-PHENYLETHYL)AMINO]METHYL}PHENOXY)PHENYL]ETHANE-1,1-DIOL, Thyroid hormone receptor beta-1 | | Authors: | Hangeland, J.J, Dejneka, T, Friends, T.J, Devasthale, P, Mellstrom, K, Sandberg, J, Grynfarb, M, Doweyko, A.M, Sack, J.S, Einspahr, H, Farnegardh, M, Husman, B, Ljunggren, J, Koehler, K, Sheppard, C, Malm, J, Ryono, D.E. | | Deposit date: | 2003-10-15 | | Release date: | 2005-02-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Thyroid receptor ligands. Part 2: Thyromimetics with improved selectivity for the thyroid hormone receptor beta.
Bioorg.Med.Chem.Lett., 14, 2004
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3JZQ
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5AR4
 | | RIP2 Kinase Catalytic Domain (1 - 310) complex with SB-203580 | | Descriptor: | 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE, RECEPTOR-INTERACTING SERINE/THREONINE-PROTEIN KINASE 2 | | Authors: | Charnley, A.K, Convery, M.A, Lakdawala Shah, A, Jones, E, Hardwicke, P, Bridges, A, Votta, B.J, Gough, P.J, Marquis, R.W, Bertin, J, Casillas, L. | | Deposit date: | 2015-09-24 | | Release date: | 2015-10-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal Structures of Human Rip2 Kinase Catalytic Domain Complexed with ATP-Competitive Inhibitors: Foundations for Understanding Inhibitor Selectivity.
Bioorg.Med.Chem., 23, 2015
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5AMD
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7DFR
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4AH4
 | | Crystal Structure of Fucose binding lectin from Aspergillus Fumigatus (AFL) in complex with BGA Oligosaccharide. | | Descriptor: | CHLORIDE ION, FUCOSE-SPECIFIC LECTIN FLEA, alpha-L-fucopyranose, ... | | Authors: | Houser, J, Komarek, J, Kostlanova, N, Lahmann, M, Cioci, G, Varrot, A, Imberty, A, Wimmerova, M. | | Deposit date: | 2012-02-03 | | Release date: | 2013-02-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural Insights Into Aspergillus Fumigatus Lectin Specificity: Afl Binding Sites are Functionally Non-Equivalent
Acta Crystallogr.,Sect.D, 71, 2015
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5ANU
 | | MTH1 in complex with compound 15 | | Descriptor: | 13-(METHYLAMINO)-23,24,25-TRIOXA-17,18,19,21-TETRAZATETRACYCLO-TRICOSA-1(3),2(10),4(11),12(14),13(18),16(19)-HEXAN-15-ONE, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, DIMETHYL SULFOXIDE | | Authors: | Read, J.A, Breed, J. | | Deposit date: | 2015-09-08 | | Release date: | 2016-03-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Potent and Selective Inhibitors of Mth1 Probe its Role in Cancer Cell Survival.
J.Med.Chem., 59, 2016
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6JKI
 | | Crystal structure and catalytic mechanism of the essential m1G37 tRNA methyltransferase TrmD from Pseudomonas aeruginosa | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, MANGANESE (II) ION, ... | | Authors: | Jaroensuk, J, Liew, C.W, Atichartpongkul, S, Chionh, Y.H, Wong, Y.H, Zhong, W.H, McBee, M.E, Thongdee, N, Prestwich, E.G, DeMott, M.S, Mongkolsuk, S, Dedon, P.C, Lescar, J, Fuangthong, M. | | Deposit date: | 2019-03-01 | | Release date: | 2019-07-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Crystal structure and catalytic mechanism of the essential m1G37 tRNA methyltransferase TrmD fromPseudomonas aeruginosa.
Rna, 25, 2019
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2WNS
 | | Human Orotate phosphoribosyltransferase (OPRTase) domain of Uridine 5' -monophosphate synthase (UMPS) in complex with its substrate orotidine 5'-monophosphate (OMP) | | Descriptor: | CHLORIDE ION, OROTATE PHOSPHORIBOSYLTRANSFERASE, OROTIDINE-5'-MONOPHOSPHATE | | Authors: | Moche, M, Roos, A, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotyenova, T, Kotzch, A, Nielsen, T.K, Nyman, T, Persson, C, Sagemark, J, Schueler, H, Schutz, P, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, VanDenBerg, S, Weigelt, J, Welin, M, Wisniewska, M, Nordlund, P. | | Deposit date: | 2009-07-19 | | Release date: | 2009-08-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Human Orotate Phosphoribosyltransferase (Oprtase) Domain of Uridine 5'-Monophosphate Synthase (Umps) in Complex with its Substrate Orotidine 5'-Monophosphate (Omp)
To be Published
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4AGI
 | | Crystal Structure of Fucose binding lectin from Aspergillus Fumigatus (AFL) in complex with seleno fucoside. | | Descriptor: | FUCOSE-SPECIFIC LECTIN FLEA, methyl 1-seleno-alpha-L-fucopyranoside | | Authors: | Houser, J, Komarek, J, Kostlanova, N, Lahmann, M, Cioci, G, Varrot, A, Imberty, A, Wimmerova, M. | | Deposit date: | 2012-01-30 | | Release date: | 2013-02-06 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A Soluble Fucose-Specific Lectin from Aspergillus Fumigatus Conidia - Structure, Specificity and Possible Role in Fungal Pathogenicity.
Plos One, 8, 2013
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4ANJ
 | | MYOSIN VI (MDinsert2-GFP fusion) PRE-POWERSTROKE STATE (MG.ADP.AlF4) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, CALMODULIN, ... | | Authors: | Menetrey, J, Isabet, T, Ropars, V, Mukherjea, M, Pylypenko, O, Liu, X, Perez, J, Vachette, P, Sweeney, H.L, Houdusse, A.M. | | Deposit date: | 2012-03-19 | | Release date: | 2012-10-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Processive Steps in the Reverse Direction Require Uncoupling of the Lead Head Lever Arm of Myosin Vi.
Mol.Cell, 48, 2012
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4P52
 | | Crystal structure of homoserine kinase from Cytophaga hutchinsonii ATCC 33406, NYSGRC Target 032717. | | Descriptor: | Homoserine kinase | | Authors: | Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2014-03-13 | | Release date: | 2014-04-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of homoserine kinase from Cytophaga hutchinsonii ATCC 33406, NYSGRC Target 032717.
to be published
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2WI1
 | | Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone | | Descriptor: | 4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine, HEAT SHOCK PROTEIN HSP 90-ALPHA, MAGNESIUM ION | | Authors: | Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M. | | Deposit date: | 2009-05-08 | | Release date: | 2009-07-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 52, 2009
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6JLE
 | | Crystal structure of MORN4/Myo3a complex | | Descriptor: | CITRIC ACID, GLYCEROL, MORN repeat-containing protein 4, ... | | Authors: | Li, J, Liu, H, Raval, M.H, Wan, J, Yengo, C.M, Liu, W, Zhang, M. | | Deposit date: | 2019-03-05 | | Release date: | 2019-07-24 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structure of the MORN4/Myo3a Tail Complex Reveals MORN Repeats as Protein Binding Modules.
Structure, 27, 2019
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7JWI
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6JMV
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