3WF9
| Crystal structure of S6K1 kinase domain in complex with a quinoline derivative 1-oxo-1-[(4-sulfamoylphenyl)amino]propan-2-yl-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate | Descriptor: | (2S)-1-oxo-1-[(4-sulfamoylphenyl)amino]propan-2-yl (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate, GLYCEROL, Ribosomal protein S6 kinase beta-1, ... | Authors: | Niwa, H, Shirouzu, M, Yokoyama, S. | Deposit date: | 2013-07-17 | Release date: | 2014-08-06 | Last modified: | 2014-10-29 | Method: | X-RAY DIFFRACTION (2.035 Å) | Cite: | Crystal structures of the S6K1 kinase domain in complexes with inhibitors J.Struct.Funct.Genom., 15, 2014
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4PTG
| Structure of a carboxamine compound (26) (2-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}-4-METHOXYPYRIMIDINE-5-CARBOXAMIDE) to GSK3b | Descriptor: | 2-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}-4-methoxypyrimidine-5-carboxamide, Glycogen synthase kinase-3 beta | Authors: | Lewis, H.A, Sivaprakasam, P, Kish, K, Pokross, M, Dubowchik, G.M. | Deposit date: | 2014-03-10 | Release date: | 2015-04-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.361 Å) | Cite: | Discovery of new acylaminopyridines as GSK-3 inhibitors by a structure guided in-depth exploration of chemical space around a pyrrolopyridinone core. Bioorg.Med.Chem.Lett., 25, 2015
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1UTI
| Mona/Gads SH3C in complex with HPK derived peptide | Descriptor: | GRB2-RELATED ADAPTOR PROTEIN 2, MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE KINASE 1 | Authors: | Lewitzky, M, Harkiolaki, M, Domart, M.C, Feller, S.M. | Deposit date: | 2003-12-09 | Release date: | 2004-05-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Mona/Gads Sh3C Binding to Hematopoietic Progenitor Kinase 1 (Hpk1) Combines an Atypical SH3 Binding Motif, R/Kxxk, with a Classical Pxxp Motif Embedded in a Polyproline Type II (Ppii) Helix J.Biol.Chem., 279, 2004
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3QHE
| Crystal structure of the complex between the armadillo repeat domain of adenomatous polyposis coli and the tyrosine-rich domain of Sam68 | Descriptor: | Adenomatous polyposis coli protein, KH domain-containing, RNA-binding, ... | Authors: | Morishita, E.C.J, Murayama, K, Kato-Murayama, M, Ishizuku-Katsura, Y, Tomabechi, Y, Terada, T, Handa, N, Shirouzu, M, Akiyama, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2011-01-25 | Release date: | 2011-11-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures of the armadillo repeat domain of adenomatous polyposis coli and its complex with the tyrosine-rich domain of sam68 Structure, 19, 2011
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4KE6
| Crystal structure D196N mutant of Monoglyceride lipase from Bacillus sp. H257 in complex with 1-rac-lauroyl glycerol | Descriptor: | (2R)-2,3-dihydroxypropyl dodecanoate, (4S)-2-METHYL-2,4-PENTANEDIOL, Thermostable monoacylglycerol lipase | Authors: | Rengachari, S, Aschauer, P, Gruber, K, Dreveny, I, Oberer, M. | Deposit date: | 2013-04-25 | Release date: | 2013-09-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Conformational plasticity and ligand binding of bacterial monoacylglycerol lipase. J.Biol.Chem., 288, 2013
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3QJ4
| Crystal structure of Human Renalase (isoform 1) | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Renalase, SULFATE ION | Authors: | Milani, M, Ciriello, F, Baroni, S, Pandini, V, Aliverti, A, Canevari, G, Bolognesi, M. | Deposit date: | 2011-01-28 | Release date: | 2011-07-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | FAD-binding site and NADP reactivity in human renalase: a new enzyme involved in blood pressure regulation J.Mol.Biol., 411, 2011
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3WNN
| D308A mutant of Bacillus circulans T-3040 cycloisomaltooligosaccharide glucanotransferase complexed with isomaltooctaose | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Cycloisomaltooligosaccharide glucanotransferase, ... | Authors: | Suzuki, N, Fujimoto, Z, Kim, Y.M, Momma, M, Kishine, N, Suzuki, R, Suzuki, S, Kitamura, S, Kobayashi, M, Kimura, A, Funane, K. | Deposit date: | 2013-12-10 | Release date: | 2014-02-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural elucidation of the cyclization mechanism of alpha-1,6-glucan by Bacillus circulans T-3040 cycloisomaltooligosaccharide glucanotransferase. J.Biol.Chem., 289, 2014
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3WLO
| Crystal Structure Analysis of Plant Exohydrolase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-D-glucan exohydrolase isoenzyme ExoI, SULFATE ION, ... | Authors: | Streltsov, V.A, Luang, S, Hrmova, M. | Deposit date: | 2013-11-12 | Release date: | 2015-03-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Discovery of processive catalysis by an exo-hydrolase with a pocket-shaped active site. Nat Commun, 10, 2019
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1V77
| Crystal structure of the PH1877 protein | Descriptor: | hypothetical protein PH1877 | Authors: | Takagi, H, Numata, T, Kakuta, Y, Kimura, M. | Deposit date: | 2003-12-12 | Release date: | 2004-08-31 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of the ribonuclease P protein Ph1877p from hyperthermophilic archaeon Pyrococcus horikoshii OT3 Biochem.Biophys.Res.Commun., 319, 2004
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1V4B
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3WU4
| Oxidized-form structure of E.coli Lon Proteolytic domain | Descriptor: | Lon protease, SULFATE ION | Authors: | Nishii, W, Kukimoto-Niino, M, Terada, T, Shirouzu, M, Muramatsu, T, Yokoyama, S. | Deposit date: | 2014-04-22 | Release date: | 2014-11-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A redox switch shapes the Lon protease exit pore to facultatively regulate proteolysis. Nat. Chem. Biol., 11, 2015
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3AP3
| Crystal structure of human tyrosylprotein sulfotransferase-2 complexed with PAP | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, Protein-tyrosine sulfotransferase 2 | Authors: | Teramoto, T, Fujikawa, Y, Kawaguchi, Y, Kurogi, K, Soejima, M, Adachi, R, Nakanishi, Y, Mishiro-Sato, E, Liu, M.-C, Sakakibara, Y, Suiko, M, Kimura, M, Kakuta, Y. | Deposit date: | 2010-10-09 | Release date: | 2011-10-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Crystal structure of human tyrosylprotein sulfotransferase-2 reveals the mechanism of protein tyrosine sulfation reaction. Nat Commun, 4, 2013
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4Q4S
| tRNA-Guanine Transglycosylase (TGT) in Complex with 6-Amino-2-[(thiophen-2-ylmethyl)amino]-1H,7H,8H-imidazo[4,5-g]quinazolin-8-one | Descriptor: | 6-amino-2-[(thiophen-2-ylmethyl)amino]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | Authors: | Neeb, M, Heine, A, Klebe, G. | Deposit date: | 2014-04-15 | Release date: | 2014-07-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.249 Å) | Cite: | Beyond Affinity: Enthalpy-Entropy Factorization Unravels Complexity of a Flat Structure-Activity Relationship for Inhibition of a tRNA-Modifying Enzyme. J.Med.Chem., 57, 2014
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1V5I
| Crystal structure of serine protease inhibitor POIA1 in complex with subtilisin BPN' | Descriptor: | CALCIUM ION, GLYCEROL, IA-1=serine proteinase inhibitor, ... | Authors: | Lee, W.C, Kikkawa, M, Kojima, S, Miura, K, Tanokura, M. | Deposit date: | 2003-11-24 | Release date: | 2005-03-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of serine protease inhibitor POIA1 in complex with subtilisin BPN' To be Published
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3XIM
| ARGININE RESIDUES AS STABILIZING ELEMENTS IN PROTEINS | Descriptor: | COBALT (II) ION, D-XYLOSE ISOMERASE, sorbitol | Authors: | Mrabet, N.T, Van Denbroek, A, Van Den Brande, I, Stanssens, P, Laroche, Y, Lambeir, A.-M, Matthyssens, G, Jenkins, J, Chiadmi, M, Vantilbeurgh, H, Rey, F, Janin, J, Quax, W.J, Lasters, I, Demaeyer, M, Wodak, S.J. | Deposit date: | 1991-05-29 | Release date: | 1993-04-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Arginine residues as stabilizing elements in proteins. Biochemistry, 31, 1992
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1UYX
| Carbohydrate binding module (CBM6cm-2) from Cellvibrio mixtus lichenase 5A in complex with cellobiose | Descriptor: | CALCIUM ION, CELLULASE B, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Czjzek, M, Pires, V.M.R, Henshaw, J, Prates, J.A.M, Bolam, D, Henrissat, B, Gilbert, H.J. | Deposit date: | 2004-03-03 | Release date: | 2004-03-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | The Crystal Structure of the Family 6 Carbohydrate Binding Module from Cellvibrio Mixtus Endoglucanase 5A in Complex with Oligosaccharides Reveals Two Distinct Binding Sites with Different Ligand Specificities J.Biol.Chem., 279, 2004
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5DZK
| Crystal structure of the active form of the proteolytic complex clpP1 and clpP2 | Descriptor: | ATP-dependent Clp protease proteolytic subunit 1, ATP-dependent Clp protease proteolytic subunit 2, BEZ-LEU-LEU | Authors: | LI, M, Wlodawer, A, Maurizi, M. | Deposit date: | 2015-09-25 | Release date: | 2016-02-17 | Last modified: | 2016-04-13 | Method: | X-RAY DIFFRACTION (3.07 Å) | Cite: | Structure and Functional Properties of the Active Form of the Proteolytic Complex, ClpP1P2, from Mycobacterium tuberculosis. J.Biol.Chem., 291, 2016
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4QLU
| yCP in complex with tripeptidic epoxyketone inhibitor 9 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, N-[(3-methyl-1H-inden-2-yl)carbonyl]-D-alanyl-N-[(2S,4R)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxopentan-2-yl]-L-tryptophanamide, ... | Authors: | de Bruin, G, Huber, E, Xin, B, van Rooden, E, Al-Ayed, K, Kim, K, Kisselev, A, Driessen, C, van der Marel, G, Groll, M, Overkleeft, H. | Deposit date: | 2014-06-13 | Release date: | 2014-07-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-based design of beta 1i or beta 5i specific inhibitors of human immunoproteasomes J.Med.Chem., 57, 2014
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3B7P
| Crystal structure of spermidine synthase from Plasmodium falciparum in complex with spermine | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, SPERMINE, Spermidine synthase | Authors: | Qiu, W, Dong, A, Ren, H, Wu, H, Zhao, Y, Schapira, M, Wasney, G, Vedadi, M, Lew, J, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Plotnikov, A.N, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC) | Deposit date: | 2007-10-31 | Release date: | 2007-11-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of spermidine synthase from Plasmodium falciparum in complex with spermine. To be Published
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1UYL
| Structure-Activity Relationships in purine-based inhibitor binding to HSP90 isoforms | Descriptor: | HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Wright, L, Barril, X, Dymock, B, Sheridan, L, Surgenor, A, Beswick, M, Drysdale, M, Collier, A, Massey, A, Davies, N, Fink, A, Fromont, C, Aherne, W, Boxall, K, Sharp, S, Workman, P, Hubbard, R.E. | Deposit date: | 2004-03-02 | Release date: | 2004-07-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure-Activity Relationships in Purine-Based Inhibitor Binding to Hsp90 Isoforms Chem.Biol., 11, 2004
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1UMJ
| Crystal structure of Pyrococcus horikoshii CutA in the presence of 3M guanidine hydrochloride | Descriptor: | GUANIDINE, periplasmic divalent cation tolerance protein CutA | Authors: | Tanaka, Y, Tsumoto, K, Yasutake, Y, Sakai, N, Yao, M, Tanaka, I, Kumagai, I. | Deposit date: | 2003-10-02 | Release date: | 2004-10-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural evidence for guanidine-protein side chain interactions: crystal structure of CutA from Pyrococcus horikoshii in 3M guanidine hydrochloride Biochem.Biophys.Res.Commun., 323, 2004
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1UY6
| Human Hsp90-alpha with 9-Butyl-8-(3,4,5-trimethoxy-benzyl)-9H-purin-6-ylamine | Descriptor: | 9-BUTYL-8-(3,4,5-TRIMETHOXYBENZYL)-9H-PURIN-6-AMINE, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Wright, L, Barril, X, Dymock, B, Sheridan, L, Surgenor, A, Beswick, M, Drysdale, M, Collier, A, Massey, A, Davies, N, Fink, A, Fromont, C, Aherne, W, Boxall, K, Sharp, S, Workman, P, Hubbard, R.E. | Deposit date: | 2004-03-02 | Release date: | 2004-07-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Activity Relationships in Purine-Based Inhibitor Binding to Hsp90 Isoforms Chem.Biol., 11, 2004
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3QYU
| Crystal structure of human cyclophilin D at 1.54 A resolution at room temperature | Descriptor: | Peptidyl-prolyl cis-trans isomerase F | Authors: | Colliandre, L, Gelin, M, Labesse, G, Guichou, J.-F. | Deposit date: | 2011-03-04 | Release date: | 2011-08-24 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | In-plate protein crystallization, in situ ligand soaking and X-ray diffraction. Acta Crystallogr.,Sect.D, 67, 2011
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1UUM
| Rat dihydroorotate dehydrogenase (DHOD)in complex with atovaquone | Descriptor: | 2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]-3,4-DIHYDROXY-1(2H)-NAPHTHALENONE, DIHYDROOROTATE DEHYDROGENASE, FLAVIN MONONUCLEOTIDE, ... | Authors: | Hansen, M, Le Nours, J, Johansson, E, Antal, T, Ullrich, A, Loffler, M, Larsen, S. | Deposit date: | 2004-01-06 | Release date: | 2004-04-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Inhibitor Binding in a Class 2 Dihydroorotate Dehydrogenase Causes Variations in the Membrane-Associated N-Terminal Domain Protein Sci., 13, 2004
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1UYZ
| Carbohydrate binding module (CBM6cm-2) from Cellvibrio mixtus lichenase 5A in complex with xylotetraose | Descriptor: | CALCIUM ION, CELLULASE B, GLYCEROL, ... | Authors: | Czjzek, M, Pires, V.M.R, Henshaw, J, Prates, J.A.M, Bolam, D, Henrissat, B, Gilbert, H.J. | Deposit date: | 2004-03-03 | Release date: | 2004-03-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Crystal Structure of the Family 6 Carbohydrate Binding Module from Cellvibrio Mixtus Endoglucanase 5A in Complex with Oligosaccharides Reveals Two Distinct Binding Sites with Different Ligand Specificities J.Biol.Chem., 279, 2004
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