5ER2
| High-resolution X-ray diffraction study of the complex between endothiapepsin and an oligopeptide inhibitor. the analysis of the inhibitor binding and description of the rigid body shift in the enzyme | Descriptor: | 6-ammonio-N-{[(2R,3R)-3-{[N-(tert-butoxycarbonyl)-L-phenylalanyl-3-(1H-imidazol-3-ium-4-yl)-L-alanyl]amino}-4-cyclohexyl-2-hydroxybutyl](2-methylpropyl)carbamoyl}-L-norleucyl-L-phenylalanine, ENDOTHIAPEPSIN | Authors: | Sali, A, Veerapandian, B, Cooper, J.B, Foundling, S.I, Hoover, D.J, Blundell, T.L. | Deposit date: | 1991-01-02 | Release date: | 1991-04-15 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | High-resolution X-ray diffraction study of the complex between endothiapepsin and an oligopeptide inhibitor: the analysis of the inhibitor binding and description of the rigid body shift in the enzyme. EMBO J., 8, 1989
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2X9E
| HUMAN MPS1 IN COMPLEX WITH NMS-P715 | Descriptor: | DUAL SPECIFICITY PROTEIN KINASE TTK, N-(2,6-DIETHYLPHENYL)-1-METHYL-8-({4-[(1-METHYLPIPERIDIN-4-YL)CARBAMOYL]-2-(TRIFLUOROMETHOXY)PHENYL}AMINO)-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE | Authors: | Colombo, R, Caldarelli, M, Mennecozzi, M, Giorgini, M.L, Sola, F, Cappella, P, Perrera, C, DePaolini, S.R, Rusconi, L, Cucchi, U, Avanzi, N, Bertrand, J.A, Bossi, R.T, Pesenti, E, Galvani, A, Isacchi, A, Colotta, F, Donati, D, Moll, J. | Deposit date: | 2010-03-17 | Release date: | 2010-12-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Targeting the Mitotic Checkpoint for Cancer Therapy with Nms-P715, an Inhibitor of Mps1 Kinase. Cancer Res., 70, 2010
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5EU1
| CRYSTAL STRUCTURE OF BRD9 IN COMPLEX WITH BI-7273 | Descriptor: | 4-[4-[(dimethylamino)methyl]-3,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one, BRD9 | Authors: | Bader, G, Martin, L.M, Steurer, S, Weiss-Puxbaum, A, Zoephel, A. | Deposit date: | 2015-11-18 | Release date: | 2016-03-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor. J.Med.Chem., 59, 2016
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3PMD
| Crystal structure of the sporulation inhibitor pXO1-118 from Bacillus anthracis | Descriptor: | CHLORIDE ION, Conserved domain protein, UNDECANOIC ACID | Authors: | Stranzl, G.R, Santelli, E, Bankston, L.A, La Clair, C, Bobkov, A, Schwarzenbacher, R, Godzik, A, Perego, M, Grynberg, M, Liddington, R.C. | Deposit date: | 2010-11-16 | Release date: | 2011-01-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Structural Insights into Inhibition of Bacillus anthracis Sporulation by a Novel Class of Non-heme Globin Sensor Domains. J.Biol.Chem., 286, 2011
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3EG3
| Crystal structure of the N114A mutant of ABL-SH3 domain | Descriptor: | GLYCEROL, Proto-oncogene tyrosine-protein kinase ABL1 | Authors: | Camara-Artigas, A. | Deposit date: | 2008-09-10 | Release date: | 2009-09-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Role of interfacial water molecules in proline-rich ligand recognition by the Src homology 3 domain of Abl. J.Biol.Chem., 285, 2010
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5DIY
| Thermobaculum terrenum O-GlcNAc hydrolase mutant - D120N | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hyaluronidase, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 | Authors: | Ostrowski, A, Gundogdu, M, Ferenbach, A.T, Lebedev, A, van Aalten, D.M.F. | Deposit date: | 2015-09-01 | Release date: | 2015-10-28 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Evidence for a Functional O-Linked N-Acetylglucosamine (O-GlcNAc) System in the Thermophilic Bacterium Thermobaculum terrenum. J.Biol.Chem., 290, 2015
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2X7O
| Crystal structure of TGFbRI complexed with an indolinone inhibitor | Descriptor: | (3Z)-N-ETHYL-N-METHYL-2-OXO-3-(PHENYL{[4-(PIPERIDIN-1-YLMETHYL)PHENYL]AMINO}METHYLIDENE)-2,3-DIHYDRO-1H-INDOLE-6-CARBOXAMIDE, TGF-BETA RECEPTOR TYPE I | Authors: | Roth, G.J, Heckel, A, Brandl, T, Grauert, M, Hoerer, S, Kley, J.T, Schnapp, G, Baum, P, Mennerich, D, Schnapp, A, Park, J.E. | Deposit date: | 2010-03-03 | Release date: | 2010-10-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Design, Synthesis and Evaluation of Indolinones as Inhibitors of the Transforming Growth Factor Beta Receptor I (Tgfbri) J.Med.Chem., 53, 2010
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5NKN
| Crystal structure of an Anticalin-colchicine complex | Descriptor: | N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide, Neutrophil gelatinase-associated lipocalin | Authors: | Skerra, A, Eichinger, A, Barkovskiy, M. | Deposit date: | 2017-03-31 | Release date: | 2018-04-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | An engineered lipocalin that tightly complexes the plant poison colchicine for use as antidote and in bioanalytical applications. Biol. Chem., 400, 2019
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3PS4
| PDZ domain from Human microtubule-associated serine/threonine-protein kinase 1 | Descriptor: | 1,2-ETHANEDIOL, IMIDAZOLE, Microtubule-associated serine/threonine-protein kinase 1 | Authors: | Ugochukwu, E, Wang, J, Krojer, T, Muniz, J.R.C, Sethi, R, Pike, A.C.W, Roos, A, Salah, E, Cocking, R, Savitsky, P, Doyle, D.A, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Elkins, J.M, Structural Genomics Consortium (SGC) | Deposit date: | 2010-11-30 | Release date: | 2010-12-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | PDZ domain from Human microtubule-associated serine/threonine-protein kinase 1 TO BE PUBLISHED
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5EUN
| The Crystal Structure of Human Kynurenine Aminotransferase II, PLP-bound form, at 1.83 A | Descriptor: | Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | Authors: | Nematollahi, A, Sun, G, Kwan, A, Jeffries, C.M, Harrop, S.J, Hanrahan, J.R, Nadvi, N.A, Church, W.B. | Deposit date: | 2015-11-18 | Release date: | 2015-12-16 | Last modified: | 2016-08-10 | Method: | X-RAY DIFFRACTION (1.825 Å) | Cite: | Structure of the PLP-Form of the Human Kynurenine Aminotransferase II in a Novel Spacegroup at 1.83 angstrom Resolution. Int J Mol Sci, 17, 2016
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2WPB
| Crystal structure of the E192N mutant of E. Coli N-acetylneuraminic acid lyase in complex with pyruvate and the inhibitor (2R,3R)-2,3,4- trihydroxy-N,N-dipropylbutanamide in space group P21 crystal form I | Descriptor: | (2R,3R)-2,3,4-TRIHYDROXY-N,N-DIPROPYLBUTANAMIDE, N-ACETYLNEURAMINATE LYASE | Authors: | Campeotto, I, Bolt, A.H, Harman, T.A, Trinh, C.H, Dennis, C.A, Phillips, S.E.V, Pearson, A.R, Nelson, A, Berry, A. | Deposit date: | 2009-08-03 | Release date: | 2010-08-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural Insights Into Substrate Specificity in Variants of N-Acetylneuraminic Acid Lyase Produced by Directed Evolution. J.Mol.Biol., 404, 2010
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2WOO
| Nucleotide-free form of S. pombe Get3 | Descriptor: | ATPASE GET3, ZINC ION | Authors: | Mateja, A, Szlachcic, A, Downing, M.E, Dobosz, M, Mariappan, M, Hegde, R.S, Keenan, R.J. | Deposit date: | 2009-07-27 | Release date: | 2009-08-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.006 Å) | Cite: | The Structural Basis of Tail-Anchored Membrane Protein Recognition by Get3. Nature, 461, 2009
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5NO6
| TEAD4-HOXB13 complex bound to DNA | Descriptor: | DNA, Homeobox protein Hox-B13, Transcriptional enhancer factor TEF-3 | Authors: | Morgunova, E, Jolma, A, Yin, Y, Popov, A, Taipale, J. | Deposit date: | 2017-04-11 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | TEAD4-HOXB13 complex bound to DNA To Be Published
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5NOK
| Polysaccharide Lyase BACCELL_00875 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BACCELL_00875 | Authors: | Cartmell, A, Munoz-Munoz, J, Terrapon, N, Basle, A, Henrissat, B, Gilbert, H.J. | Deposit date: | 2017-04-12 | Release date: | 2017-06-28 | Last modified: | 2017-08-23 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | An evolutionarily distinct family of polysaccharide lyases removes rhamnose capping of complex arabinogalactan proteins. J. Biol. Chem., 292, 2017
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2WTH
| Low resolution 3D structure of C.elegans globin-like protein (GLB-1): P3121 crystal form | Descriptor: | GLOBIN-LIKE PROTEIN, GLYCEROL, OXYGEN MOLECULE, ... | Authors: | Geuens, E, Hoogewijs, D, Nardini, M, Vinck, E, Pesce, A, Kiger, L, Fago, A, Tilleman, L, De Henau, S, Marden, M, Weber, R.E, Van Doorslaer, S, Vanfleteren, J, Moens, L, Bolognesi, M, Dewilde, S. | Deposit date: | 2009-09-16 | Release date: | 2010-04-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Globin-Like Proteins in Caenorhabditis Elegans: In Vivo Localization, Ligand Binding and Structural Properties. Bmc Biochem., 11, 2010
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6VWB
| Solution structure of the N-terminal helix-hairpin-helix domain of human MUS81 | Descriptor: | Crossover junction endonuclease MUS81 | Authors: | Payliss, B, Houliston, S, Lemak, A, Arrowsmith, C.H, Wyatt, H.D.M. | Deposit date: | 2020-02-19 | Release date: | 2021-02-24 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Phosphorylation of the DNA repair scaffold SLX4 drives folding of the SAP domain and activation of the MUS81-EME1 endonuclease Cell Rep, 41, 2022
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5ESL
| Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) T322I mutant complexed with itraconazole | Descriptor: | 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sagatova, A, Keniya, M.V, Wilson, R.K, Sabherwal, M, Tyndall, J.D.A, Monk, B.C. | Deposit date: | 2015-11-16 | Release date: | 2016-11-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structures of lanosterol 14-alpha demethylase mutants. To Be Published
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5ESN
| Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) T322I mutant structure | Descriptor: | Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sagatova, A, Keniya, M.V, Wilson, R.K, Sabherwal, M, Tyndall, J.D.A, Monk, B.C. | Deposit date: | 2015-11-16 | Release date: | 2016-11-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structures of lanosterol 14-alpha demethylase mutants. To Be Published
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5ESM
| Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) T322I mutant complexed with fluconazole | Descriptor: | 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sagatova, A, Keniya, M.V, Wilson, R.K, Sabherwal, M, Tyndall, J.D.A, Monk, B.C. | Deposit date: | 2015-11-16 | Release date: | 2016-11-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of lanosterol 14-alpha demethylase mutants. To Be Published
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5K3O
| Wolinella succinogenes L-asparaginase P121 and L-Aspartic acid | Descriptor: | ASPARTIC ACID, L-asparaginase | Authors: | Nguyen, H.A, Lave, A. | Deposit date: | 2016-05-19 | Release date: | 2017-03-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.696 Å) | Cite: | The differential ability of asparagine and glutamine in promoting the closed/active enzyme conformation rationalizes the Wolinella succinogenes L-asparaginase substrate specificity. Sci Rep, 7, 2017
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5K45
| Wolinella succinogenes L-asparaginase P121 + L-Glutamic acid | Descriptor: | GLUTAMIC ACID, L-asparaginase | Authors: | Nguyen, H.A, Lave, A. | Deposit date: | 2016-05-20 | Release date: | 2017-03-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | The differential ability of asparagine and glutamine in promoting the closed/active enzyme conformation rationalizes the Wolinella succinogenes L-asparaginase substrate specificity. Sci Rep, 7, 2017
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2X18
| The crystal structure of the PH domain of human AKT3 protein kinase | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, RAC-GAMMA SERINE/THREONINE-PROTEIN KINASE | Authors: | Vollmar, M, Wang, J, Zhang, Y, Elkins, J.M, Burgess-Brown, N, Chaikuad, A, Pike, A.C.W, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S. | Deposit date: | 2009-12-22 | Release date: | 2010-03-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | The Crystal Structure of the Ph Domain of Human Akt3 Protein Kinase To be Published
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5NPV
| Structure of human ATG5-ATG16L1(ATG5BD) complex (I4) | Descriptor: | Autophagy protein 5, Autophagy-related protein 16-1 | Authors: | Archna, A, Scrima, A. | Deposit date: | 2017-04-19 | Release date: | 2017-10-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Identification, biochemical characterization and crystallization of the central region of human ATG16L1. Acta Crystallogr F Struct Biol Commun, 73, 2017
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5JQT
| Crystal structure of human carbonic anhydrase II in complex with Benzoxaborole at pH 7.4 | Descriptor: | 1,1-dihydroxy-1,3-dihydro-2,1-benzoxaborol-1-ium, 2,1-benzoxaborol-1(3H)-ol, 4-(HYDROXYMERCURY)BENZOIC ACID, ... | Authors: | Alterio, V, Esposito, D, Di Fiore, A, De Simone, G. | Deposit date: | 2016-05-05 | Release date: | 2016-10-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Benzoxaborole as a new chemotype for carbonic anhydrase inhibition. Chem.Commun.(Camb.), 52, 2016
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2PHN
| Crystal structure of an amide bond forming F420-gamma glutamyl ligase from Archaeoglobus fulgidus | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, F420-0:gamma-glutamyl ligase, ... | Authors: | Nocek, B, Evdokimova, E, Kudritska, M, Edwards, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2007-04-11 | Release date: | 2007-05-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structure of an Amide Bond Forming F(420):gammagamma-glutamyl Ligase from Archaeoglobus Fulgidus - A Member of a New Family of Non-ribosomal Peptide Synthases. J.Mol.Biol., 372, 2007
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