2YJQ
| Structure of a Paenibacillus Polymyxa Xyloglucanase from Glycoside Hydrolase Family 44 | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CEL44C, ... | Authors: | Ariza, A, Eklof, J.M, Spadiut, O, Offen, W.A, Roberts, S.M, Besenmatter, W, Friis, E.P, Skjot, M, Wilson, K.S, Brumer, H, Davies, G. | Deposit date: | 2011-05-23 | Release date: | 2011-06-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure and Activity of Paenibacillus Polymyxa Xyloglucanase from Glycoside Hydrolase Family 44. J.Biol.Chem., 286, 2011
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3TAS
| Small laccase from Streptomyces viridosporus T7A | Descriptor: | ACETATE ION, COPPER (II) ION, OXYGEN MOLECULE, ... | Authors: | Lukk, T, Majumdar, S, Gerlt, J.A, Nair, S.K. | Deposit date: | 2011-08-04 | Release date: | 2012-08-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Roles of small laccases from Streptomyces in lignin degradation. Biochemistry, 53, 2014
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3TDO
| Crystal structure of HSC at pH 9.0 | Descriptor: | Putative formate/nitrite transporter, TETRAETHYLENE GLYCOL, octyl beta-D-glucopyranoside | Authors: | Czyzewski, B.K, Wang, D.-N. | Deposit date: | 2011-08-11 | Release date: | 2012-03-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.197 Å) | Cite: | Identification and characterization of a bacterial hydrosulphide ion channel. Nature, 483, 2012
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3NUF
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3NSU
| A Systematic Screen for Protein-Lipid Interactions in Saccharomyces cerevisiae | Descriptor: | Phosphatidylinositol 4,5-bisphosphate-binding protein SLM1, SULFATE ION | Authors: | Gallego, O, Fernandez-Tornero, C, Aguilar-Gurrieri, C, Muller, C, Gavin, A.C. | Deposit date: | 2010-07-02 | Release date: | 2010-12-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A systematic screen for protein-lipid interactions in Saccharomyces cerevisiae. Mol. Syst. Biol., 6, 2010
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3T12
| MglA in complex with MglB in transition state | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Gliding protein MglB, Gliding protein mglA, ... | Authors: | Miertzschke, M, Vetter, I.R, Koerner, C, Wittinghofer, A. | Deposit date: | 2011-07-21 | Release date: | 2011-08-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural analysis of the Ras-like G protein MglA and its cognate GAP MglB and implications for bacterial polarity. Embo J., 30, 2011
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3O6J
| Crystal Structure of 4-Chlorocatechol Dioxygenase from Rhodococcus opacus 1CP in complex with hydroxyquinol | Descriptor: | (2R)-3-(PHOSPHONOOXY)-2-(TETRADECANOYLOXY)PROPYL PALMITATE, CHLORIDE ION, Chlorocatechol 1,2-dioxygenase, ... | Authors: | Ferraroni, M, Briganti, F, Kolomitseva, M, Golovleva, L. | Deposit date: | 2010-07-29 | Release date: | 2011-08-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | X-ray structures of 4-chlorocatechol 1,2-dioxygenase adducts with substituted catechols: new perspectives in the molecular basis of intradiol ring cleaving dioxygenases specificity. J. Struct. Biol., 181, 2013
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2X5K
| Structure of an active site mutant of the D-Erythrose-4-Phosphate Dehydrogenase from E. coli | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, D-ERYTHROSE-4-PHOSPHATE DEHYDROGENASE, ... | Authors: | Moniot, S, Didierjean, C, Boschi-Muller, S, Branlant, G, Corbier, C. | Deposit date: | 2010-02-10 | Release date: | 2011-02-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Structural Characterization of Erythrose-4- Phosphate Dehydrogenase from Escherichia Coli: Peculiar Features When Compared to Phosphorylating Gapdhs To be Published
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3SRP
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7EEK
| Structure of Human serum albumin-Au compound complex | Descriptor: | 11-methyl-2-oxa-4-thia-6,7-diaza-3$l^{3}-auratricyclo[7.4.0.0^{3,7}]trideca-1(13),5,9,11-tetraen-5-amine, PALMITOLEIC ACID, Serum albumin | Authors: | Yang, F, Zhang, J.Z. | Deposit date: | 2021-03-18 | Release date: | 2022-03-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of Human serum albumin-Au compound complex To Be Published
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2ZBD
| Crystal Structure of the SR Calcium Pump with Bound Aluminium Fluoride, ADP and Calcium | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ... | Authors: | Toyoshima, C, Nomura, H, Tsuda, T, Ogawa, H, Norimatsu, Y. | Deposit date: | 2007-10-20 | Release date: | 2007-11-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Lumenal gating mechanism revealed in calcium pump crystal structures with phosphate analogues Nature, 432, 2004
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3RQ0
| The crystal structure of a glycosyl hydrolases (GH) family protein 16 from Mycobacterium smegmatis str. MC2 155 | Descriptor: | 2,2',2''-NITRILOTRIETHANOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Tan, K, Chhor, G, Bearden, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2011-04-27 | Release date: | 2011-05-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | The crystal structure of a glycosyl hydrolases (GH) family protein 16 from Mycobacterium smegmatis str. MC2 155 To be Published
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5Q0R
| Ligand binding to FARNESOID-X-RECEPTOR | Descriptor: | Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3, N,1-dibenzyl-6-[(2-fluorophenyl)sulfonyl]-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide | Authors: | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | Deposit date: | 2017-05-31 | Release date: | 2017-07-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
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5QC3
| Crystal structure of human Cathepsin-S with bound ligand | Descriptor: | 1-{3-[3-{[2-(4-fluoropiperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-[(2S)-2-hydroxy-3-(piperidin-1-yl)propyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-2-hydroxyethan-1-one, Cathepsin S | Authors: | Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K. | Deposit date: | 2017-08-04 | Release date: | 2017-12-20 | Last modified: | 2021-11-17 | Method: | X-RAY DIFFRACTION (1.998 Å) | Cite: | Crystal structure of human Cathepsin-S with bound ligand To be published
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5QCJ
| Crystal structure of human Cathepsin-S with bound ligand | Descriptor: | 5-hydroxy-3-{1-[(2S)-2-hydroxy-3-{5-(methylsulfonyl)-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}propyl]piperidin-4-yl}-1H-pyrrolo[3,2-c]pyridin-5-ium, Cathepsin S, SULFATE ION | Authors: | Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K. | Deposit date: | 2017-08-04 | Release date: | 2017-12-20 | Last modified: | 2021-11-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of human Cathepsin-S with bound ligand To be published
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3RN0
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5QCB
| Crystal structure of human Cathepsin-S with bound ligand | Descriptor: | Cathepsin S, tert-butyl 4-(2-{3-[3-{[(3-methylbut-2-enoyl)amino]methyl}-4-(trifluoromethyl)phenyl]-1-[3-(morpholin-4-yl)propyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-2-oxoethyl)piperidine-1-carboxylate | Authors: | Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K. | Deposit date: | 2017-08-04 | Release date: | 2017-12-20 | Last modified: | 2021-11-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of human Cathepsin-S with bound ligand To be published
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5QCS
| Crystal structure of BACE complex with BMC024 | Descriptor: | (2R,4S)-N-BUTYL-4-HYDROXY-2-METHYL- 4-((E)-(4AS,12R,15S,17AS)-15-METHYL -14,17-DIOXO-2,3,4,4A,6,9,11,12,13, 14,15,16,17,17A-TETRADECAHYDRO-1H-5 ,10-DITHIA-1,13,16-TRIAZA-BENZOCYCL OPENTADECEN-12-YL)-BUTYRAMIDE, Beta-secretase 1 | Authors: | Rondeau, J.M, Shao, C, Yang, H, Burley, S.K. | Deposit date: | 2017-12-01 | Release date: | 2020-06-03 | Last modified: | 2021-02-10 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J.Comput.Aided Mol.Des., 34, 2020
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2ZJY
| Structure of the K349P mutant of Gi alpha 1 subunit bound to ALF4 and GDP | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(i), alpha-1 subunit, ... | Authors: | Morikawa, T, Muroya, A, Sugio, S, Wakamatsu, K, Kohno, T. | Deposit date: | 2008-03-11 | Release date: | 2009-03-24 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | How GPCRs activate G proteins: Structural changes form C-terminal tail to GDP binding pocket To be Published
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5QJ4
| PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z1827602749 | Descriptor: | (2S,3S)-3-methyl-N-(1,2,3-thiadiazol-5-yl)tetrahydrofuran-2-carboxamide (non-preferred name), 1,2-ETHANEDIOL, ADP-sugar pyrophosphatase, ... | Authors: | Dubianok, Y, Collins, P, Krojer, T, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Huber, K, von Delft, F. | Deposit date: | 2018-11-12 | Release date: | 2018-12-19 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
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5QCC
| Crystal structure of human Cathepsin-S with bound ligand | Descriptor: | Cathepsin S, tert-butyl 4-(2-{3-(4-chloro-3-iodophenyl)-1-[3-(morpholin-4-yl)propyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-2-oxoethyl)piperidine-1-carboxylate | Authors: | Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K. | Deposit date: | 2017-08-04 | Release date: | 2017-12-20 | Last modified: | 2021-11-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of human Cathepsin-S with bound ligand To be published
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3R91
| Macrocyclic lactams as potent Hsp90 inhibitors with excellent tumor exposure and extended biomarker activity. | Descriptor: | (6S)-4,6,15,15,18-pentamethyl-5,17-dioxo-2,3,4,5,6,7,14,15,16,17-decahydro-1H-12,8-(metheno)[1,4,9]triazacyclotetradecino[9,8-a]indole-9-carboxamide, Heat shock protein HSP 90-alpha | Authors: | Zapf, C.W, Bloom, J.D, McBean, J.L, Dushin, R.G, Nittoli, T, Otteng, M, Ingalls, C, Golas, J.M, Liu, H, Lucas, J, Boschelli, F, Vogan, E, Hu, Y, Levin, J.I. | Deposit date: | 2011-03-24 | Release date: | 2011-05-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.579 Å) | Cite: | Macrocyclic lactams as potent Hsp90 inhibitors with excellent tumor exposure and extended biomarker activity. Bioorg.Med.Chem.Lett., 21, 2011
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3NVD
| Structure of YBBD in complex with pugnac | Descriptor: | ACETATE ION, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE, SODIUM ION, ... | Authors: | Diederichs, K. | Deposit date: | 2010-07-08 | Release date: | 2010-08-04 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.836 Å) | Cite: | Structural and kinetic analysis of Bacillus subtilis N-acetylglucosaminidase reveals a unique Asp-His dyad mechanism J.Biol.Chem., 285, 2010
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3RMU
| Crystal structure of human Methylmalonyl-CoA epimerase, MCEE | Descriptor: | 1,2-ETHANEDIOL, COBALT (II) ION, Methylmalonyl-CoA epimerase, ... | Authors: | Chaikuad, A, Krysztofinska, E, Froese, D.S, Yue, W.W, Vollmar, M, Muniz, J.R.C, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2011-04-21 | Release date: | 2011-05-11 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of human Methylmalonyl-CoA epimerase, MCEE To be Published
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2ZTB
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