2V77
 
 | | Crystal Structure of Human Carboxypeptidase A1 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CARBOXYPEPTIDASE A1, OCTANE-1,3,5,7-TETRACARBOXYLIC ACID, ... | | Authors: | Pallares, I, Fernandez, D, Comellas-Bigler, M, Fernandez-Recio, J, Ventura, S, Aviles, F.X, Vendrell, J. | | Deposit date: | 2007-07-27 | | Release date: | 2008-07-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.603 Å) | | Cite: | Direct interaction between a human digestive protease and the mucoadhesive poly(acrylic acid).
Acta Crystallogr. D Biol. Crystallogr., D64, 2008
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1FQ8
 | | X-RAY STRUCTURE OF DIFLUOROSTATINE INHIBITOR CP81,198 BOUND TO SACCHAROPEPSIN | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, N-[(2S)-1-[[(2S)-1-[[(2S,3R)-1-cyclohexyl-4,4-difluoro-3-hydroxy-5-(methylamino)-5-oxo-pentan-2-yl]amino]-1-oxo-hexan-2 -yl]amino]-1-oxo-3-phenyl-propan-2-yl]morpholine-4-carboxamide, SACCHAROPEPSIN, ... | | Authors: | Cronin, N.B, Badasso, M.O, Tickle, I.J, Dreyer, T, Hoover, D.J, Rosati, R.L, Humblet, C.C, Lunney, E.A, Cooper, J.B. | | Deposit date: | 2000-09-04 | | Release date: | 2000-09-20 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | X-ray structures of five renin inhibitors bound to saccharopepsin: exploration of active-site specificity.
J.Mol.Biol., 303, 2000
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4X2K
 | | Selection of fragments for kinase inhibitor design: decoration is key | | Descriptor: | 4-[(3-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(6H)-one, SULFATE ION, TGF-beta receptor type-1 | | Authors: | Czodrowski, P, Hoelzemann, G, Barnickel, G, Greiner, H, Musil, D. | | Deposit date: | 2014-11-26 | | Release date: | 2014-12-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Selection of fragments for kinase inhibitor design: decoration is key.
J.Med.Chem., 58, 2015
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5DB3
 | | Menin in complex with MI-574 | | Descriptor: | 6-methoxy-4-methyl-1-(1H-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | Pollock, J, Borkin, D, Cierpicki, T, Grembecka, J. | | Deposit date: | 2015-08-20 | | Release date: | 2016-03-30 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Property Focused Structure-Based Optimization of Small Molecule Inhibitors of the Protein-Protein Interaction between Menin and Mixed Lineage Leukemia (MLL).
J.Med.Chem., 59, 2016
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5DG0
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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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5DHG
 | | The crystal structure of nociceptin/orphanin FQ peptide receptor (NOP) in complex with C-35 (PSI Community Target) | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-benzyl-N-{3-[4-(2,6-dichlorophenyl)piperidin-1-yl]propyl}-D-prolinamide, OLEIC ACID, ... | | Authors: | Miller, R.L, Thompson, A.A, Trapella, C, Guerrini, R, Malfacini, D, Patel, N, Han, G.W, Cherezov, V, Calo, G, Katritch, V, Stevens, R.C, GPCR Network (GPCR) | | Deposit date: | 2015-08-30 | | Release date: | 2015-10-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The Importance of Ligand-Receptor Conformational Pairs in Stabilization: Spotlight on the N/OFQ G Protein-Coupled Receptor.
Structure, 23, 2015
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6UW5
 | | The crystal structure of FbiA from Mycobacterium smegmatis, GDP and Fo bound form | | Descriptor: | 1-deoxy-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-D-ribitol, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Grinter, R, Gillett, D, Cordero, P.R.F, Greening, C. | | Deposit date: | 2019-11-04 | | Release date: | 2020-05-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Cellular and Structural Basis of Synthesis of the Unique Intermediate Dehydro-F420-0 in Mycobacteria.
mSystems, 5, 2020
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1HKM
 | | High resolution crystal structure of human chitinase in complex with demethylallosamidin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-allopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-allopyranose, CHITOTRIOSIDASE, METHYL N-ACETYL ALLOSAMINE | | Authors: | Rao, F.V, Houston, D.R, Boot, R.G, Aerts, J.M.F.G, Sakuda, S, Van Aalten, D.M.F. | | Deposit date: | 2003-03-10 | | Release date: | 2004-03-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Crystal Structures of Allosamidin Derivatives in Complex with Human Macrophage Chitinase
J.Biol.Chem., 278, 2003
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7BM6
 | | Structure-function analysis of a new PL17 oligoalginate lyase from the marine bacterium Zobellia galactanivorans DsijT | | Descriptor: | 4-deoxy-alpha-L-erythro-hex-4-enopyranuronic acid-(1-4)-alpha-D-mannopyranuronic acid, Alginate lyase, family PL17, ... | | Authors: | Czjzek, M, Roret, T, Jouanneau, D, Le Duff, N, Jeudy, A. | | Deposit date: | 2021-01-19 | | Release date: | 2021-07-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Structure-function analysis of a new PL17 oligoalginate lyase from the marine bacterium Zobellia galactanivorans DsijT.
Glycobiology, 31, 2021
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2WSS
 | | The structure of the membrane extrinsic region of bovine ATP synthase | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP SYNTHASE SUBUNIT ALPHA, MITOCHONDRIAL, ... | | Authors: | Rees, D.M, Leslie, A.G.W, Walker, J.E. | | Deposit date: | 2009-09-09 | | Release date: | 2009-11-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | The Structure of the Membrane Extrinsic Region of Bovine ATP Synthase
Proc.Natl.Acad.Sci.USA, 106, 2009
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6UW1
 | | The crystal structure of FbiA from Mycobacterium Smegmatis, Fo bound form | | Descriptor: | 1-deoxy-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-D-ribitol, CALCIUM ION, Phosphoenolpyruvate transferase | | Authors: | Grinter, R, Gillett, D, Cordero, P.R.F, Greening, C. | | Deposit date: | 2019-11-04 | | Release date: | 2020-05-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.205 Å) | | Cite: | Cellular and Structural Basis of Synthesis of the Unique Intermediate Dehydro-F420-0 in Mycobacteria.
mSystems, 5, 2020
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3KYU
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8ES6
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5J9Y
 | | EGFR-T790M in complex with pyrazolopyrimidine inhibitor 1b | | Descriptor: | (R)-1-(3-(4-amino-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one, Epidermal growth factor receptor | | Authors: | Becker, C, Engel, J, Rauh, D. | | Deposit date: | 2016-04-11 | | Release date: | 2016-08-17 | | Last modified: | 2016-09-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Insight into the Inhibition of Drug-Resistant Mutants of the Receptor Tyrosine Kinase EGFR.
Angew.Chem.Int.Ed.Engl., 55, 2016
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7GA2
 | | PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with POB0008 | | Descriptor: | 1,2-ETHANEDIOL, PHOSPHATE ION, Serine protease NS3, ... | | Authors: | Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-07-03 | | Release date: | 2023-07-26 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.034 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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2V5M
 | | Structural basis for Dscam isoform specificity | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DSCAM, GLYCEROL | | Authors: | Meijers, R, Puettmann-Holgado, R, Skiniotis, G, Liu, J.-H, Walz, T, Schmucker, D, Wang, J.-H. | | Deposit date: | 2007-07-06 | | Release date: | 2007-09-11 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural Basis of Dscam Isoform Specificity
Nature, 449, 2007
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4RZ7
 | | Crystal Structure of PVX_084705 with bound PCI32765 | | Descriptor: | 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, UNKNOWN ATOM OR ION, cGMP-dependent protein kinase, ... | | Authors: | Jiang, D.Q, Tempel, W, Loppnau, P, Graslund, S, He, H, Seitova, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, El Bakkouri, M, Amani, M, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-12-18 | | Release date: | 2015-01-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.351 Å) | | Cite: | Crystal Structure of PVX_084705 with bound PCI32765
To be Published
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7G9Y
 | | PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z2678251369 | | Descriptor: | 1,2-ETHANEDIOL, 2-tert-butyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-07-03 | | Release date: | 2023-07-26 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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3PFX
 | | Crystal structure of Cel7A from Talaromyces emersonii in complex with cellobiose | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cellobiohydrolase 1 catalytic domain, SULFATE ION, ... | | Authors: | Qin, L, Pereira, J.H, McAndrew, R.P, Simmons, B.A, Sapra, R, Adams, P.D, Sale, K.L. | | Deposit date: | 2010-10-29 | | Release date: | 2011-11-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.2616 Å) | | Cite: | Crystal structure of Cel7A from Talaromyces emersonii in complex with cellobiose
TO BE PUBLISHED
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2V2Z
 | | IspE in complex with ADP and CDPME | | Descriptor: | 4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYTHRITOL, 4-DIPHOSPHOCYTIDYL-2C-METHYL-D-ERYTHRITOL KINASE, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Sgraja, T, Alphey, M.S, Hunter, W.N. | | Deposit date: | 2007-06-08 | | Release date: | 2007-06-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Characterization of Aquifex Aeolicus 4-Diphosphocytidyl-2C-Methyl-D-Erythritol Kinase -Ligand Recognition in a Template for Antimicrobial Drug Discovery.
FEBS J., 275, 2008
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4AU9
 | | Crystal Structure of a Fungal DyP-Type Peroxidase from Auricularia auricula-judae | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | | Authors: | Strittmatter, E, Pecyna, M, Ullrich, R, Hofrichter, M, Plattner, D.A, Liers, C, Piontek, K. | | Deposit date: | 2012-05-14 | | Release date: | 2012-12-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | First Crystal Structure of a Fungal High-Redox Potential Dye-Decolorizing Peroxidase: Substrate Interaction Sites and Long-Range Electron Transfer.
J.Biol.Chem., 288, 2013
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3KYV
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3PFZ
 | | Crystal structure of Cel7A from Talaromyces emersonii in complex with cellotetraose | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cellobiohydrolase 1 catalytic domain, SULFATE ION, ... | | Authors: | Qin, L, Pereira, J.H, McAndrew, R.P, Simmons, B.A, Sapra, R, Adams, P.D, Sale, K.L. | | Deposit date: | 2010-10-29 | | Release date: | 2011-11-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.0993 Å) | | Cite: | Crystal structure of Cel7A from Talaromyces emersonii in complex with cellotetraose
TO BE PUBLISHED
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5FBE
 | | COMPLEMENT FACTOR D IN COMPLEX WITH COMPOUND2 | | Descriptor: | Complement factor D, GLYCEROL, methyl 2-[[[(2~{S})-2-[[3-(trifluoromethyloxy)phenyl]carbamoyl]pyrrolidin-1-yl]carbonylamino]methyl]benzoate | | Authors: | Ostermann, N, Zink, F. | | Deposit date: | 2015-12-14 | | Release date: | 2016-10-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Small-molecule factor D inhibitors targeting the alternative complement pathway.
Nat.Chem.Biol., 12, 2016
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