3K02
 
 | | Crystal structures of the GacH receptor of Streptomyces glaucescens GLA.O in the unliganded form and in complex with acarbose and an acarbose homolog. Comparison with acarbose-loaded maltose binding protein of Salmonella typhimurium. | | Descriptor: | 4,6-dideoxy-4-{[(1S,2R,3R,4S,5S)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-alpha-D-allopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranose, Acarbose/maltose binding protein GacH, SULFATE ION | | Authors: | Vahedi-Faridi, A, Licht, A, Bulut, H, Schneider, E. | | Deposit date: | 2009-09-24 | | Release date: | 2010-02-16 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal Structures of the Solute Receptor GacH of Streptomyces glaucescens in Complex with Acarbose and an Acarbose Homolog: Comparison with the Acarbose-Loaded Maltose-Binding Protein of Salmonella typhimurium.
J.Mol.Biol., 397, 2010
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5AH3
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6FG6
 | | Crystal Structure of BAZ2A bromodomain in complex with 1-methylpyridinone compound 1 | | Descriptor: | Bromodomain adjacent to zinc finger domain protein 2A, ~{N}-(2-azanylethyl)-1-methyl-6-oxidanylidene-pyridine-3-carboxamide | | Authors: | Dalle Vedove, A, Spiliotopoulos, D, Lolli, G, Caflisch, A. | | Deposit date: | 2018-01-10 | | Release date: | 2018-05-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.401 Å) | | Cite: | Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
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6FGH
 | | Crystal Structure of BAZ2A bromodomain in complex with 3-amino-2-methylpyridine derivative 1 | | Descriptor: | 2-methyl-~{N}-[(2~{R})-1-methylsulfonylpropan-2-yl]pyridin-3-amine, Bromodomain adjacent to zinc finger domain protein 2A | | Authors: | Dalle Vedove, A, Marchand, J.-R, Lolli, G, Caflisch, A. | | Deposit date: | 2018-01-10 | | Release date: | 2018-05-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
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2OC7
 | | Structure of Hepatitis C Viral NS3 protease domain complexed with NS4A peptide and ketoamide SCH571696 | | Descriptor: | BETA-MERCAPTOETHANOL, Hepatitis C Virus, TERT-BUTYL {(1S)-2-[(1R,2S,5R)-2-({[(1S)-3-AMINO-1-(CYCLOBUTYLMETHYL)-2,3-DIOXOPROPYL]AMINO}CARBONYL)-7,7-DIMETHYL-6-OXA-3-AZABICYCLO[3.2.0]HEPT-3-YL]-1-CYCLOHEXYL-2-OXOETHYL}CARBAMATE, ... | | Authors: | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | | Deposit date: | 2006-12-20 | | Release date: | 2007-07-31 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
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6FGW
 | | Crystal Structure of BAZ2A bromodomain in complex with 1-methylpyridinone compound 4 | | Descriptor: | 1-methyl-6-oxidanylidene-~{N}-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide, Bromodomain adjacent to zinc finger domain protein 2A | | Authors: | Dalle Vedove, A, Spiliotopoulos, D, Lolli, G, Caflisch, A. | | Deposit date: | 2018-01-11 | | Release date: | 2018-05-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.725 Å) | | Cite: | Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
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6FGG
 | | Crystal Structure of BAZ2A bromodomain in complex with 1-methylpyridinone compound 5 | | Descriptor: | Bromodomain adjacent to zinc finger domain protein 2A, ~{N}-[3-[2-(dimethylamino)ethyl]-2-oxidanylidene-1,3-benzoxazol-5-yl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide | | Authors: | Dalle Vedove, A, Spiliotopoulos, D, Lolli, G, Caflisch, A. | | Deposit date: | 2018-01-10 | | Release date: | 2018-05-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
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1K7E
 | | CRYSTAL STRUCTURE OF WILD-TYPE TRYPTOPHAN SYNTHASE COMPLEXED WITH N-[1H-INDOL-3-YL-ACETYL]GLYCINE ACID | | Descriptor: | N-[1H-INDOL-3-YL-ACETYL]GLYCINE ACID, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ... | | Authors: | Weyand, M, Schlichting, I, Marabotti, A, Mozzarelli, A. | | Deposit date: | 2001-10-19 | | Release date: | 2002-07-10 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures of a new class of allosteric effectors complexed to tryptophan synthase.
J.Biol.Chem., 277, 2002
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3ZMU
 | | LSD1-CoREST in complex with PKSFLV peptide | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, PKSFLV PEPTIDE, ... | | Authors: | Tortorici, M, Borrello, M.T, Tardugno, M, Chiarelli, L.R, Pilotto, S, Ciossani, G, Vellore, N.A, Cowan, J, O'Connell, M, Mai, A, Baron, R, Ganesan, A, Mattevi, A. | | Deposit date: | 2013-02-12 | | Release date: | 2013-06-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Protein Recognition by Small Peptide Reversible Inhibitors of the Chromatin-Modifying Lsd1/Corest Lysine Demethylase.
Acs Chem.Biol., 8, 2013
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2I17
 | | Human aldose reductase in complex with NADP+ and the inhibitor IDD594 at temperature of 60K | | Descriptor: | Aldose reductase, CITRIC ACID, IDD594, ... | | Authors: | Petrova, T, Ginell, S, Mitshler, A, Hasemann, I, Schneider, T, Cousido, A, Lunin, V.Y, Joachimiak, A, Podjarny, A. | | Deposit date: | 2006-08-13 | | Release date: | 2006-08-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (0.81 Å) | | Cite: | Ultrahigh-resolution study of protein atomic displacement parameters at cryotemperatures obtained with a helium cryostat.
Acta Crystallogr.,Sect.D, 62, 2006
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5D4W
 | | Crystal structure of Hsp104 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Putative heat shock protein | | Authors: | Heuck, A, Schitter-Sollner, S, Clausen, T. | | Deposit date: | 2015-08-09 | | Release date: | 2016-12-07 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Structural basis for the disaggregase activity and regulation of Hsp104.
Elife, 5, 2016
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1RZA
 | | X-RAY ANALYSIS OF METAL SUBSTITUTED HUMAN CARBONIC ANHYDRASE II DERIVATIVES | | Descriptor: | CARBONIC ANHYDRASE II, COBALT (II) ION, OXYGEN MOLECULE | | Authors: | Hakansson, K, Wehnert, A, Liljas, A. | | Deposit date: | 1993-05-25 | | Release date: | 1993-10-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | X-ray analysis of metal-substituted human carbonic anhydrase II derivatives.
Acta Crystallogr.,Sect.D, 50, 1994
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3ZQJ
 | | Mycobacterium tuberculosis UvrA | | Descriptor: | UVRABC SYSTEM PROTEIN A, ZINC ION | | Authors: | Rossi, F, Khanduja, J.S, Bortoluzzi, A, Houghton, J, Sander, P, Guthlein, C, Davis, E.O, Springer, B, Bottger, E.C, Relini, A, Penco, A, Muniyappa, K, Rizzi, M. | | Deposit date: | 2011-06-09 | | Release date: | 2011-06-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | The Biological and Structural Characterization of Mycobacterium Tuberculosis Uvra Provides Novel Insights Into its Mechanism of Action
Nucleic Acids Res., 39, 2011
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2ODF
 | | The crystal structure of gene product Atu2144 from Agrobacterium tumefaciens | | Descriptor: | Hypothetical protein Atu2144, SULFATE ION | | Authors: | Zhang, R, Xu, X, Zheng, H, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2006-12-22 | | Release date: | 2007-01-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The crystal structure of gene product Atu2144 from Agrobacterium tumefaciens
To be Published
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7JXG
 | | Structural model for Fe-containing human acireductone dioxygenase | | Descriptor: | 1,2-dihydroxy-3-keto-5-methylthiopentene dioxygenase, FE (II) ION | | Authors: | Pochapsky, T.C, Liu, X, Deshpande, A, Ringe, D, Garber, A, Ryan, J. | | Deposit date: | 2020-08-27 | | Release date: | 2020-11-18 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | A Model for the Solution Structure of Human Fe(II)-Bound Acireductone Dioxygenase and Interactions with the Regulatory Domain of Matrix Metalloproteinase I (MMP-I).
Biochemistry, 59, 2020
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7K3M
 | | Crystal Structure of the Beta Lactamase Class D from Chitinophaga pinensis by Serial Crystallography | | Descriptor: | Beta-lactamase | | Authors: | Kim, Y, Sherrell, D.A, Johnson, J, Lavens, A, Maltseva, N, Endres, M, Babnigg, G, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-09-11 | | Release date: | 2020-09-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of the Beta Lactamase Class D from Chitinophaga pinensis by Serial Crystallography
To Be Published
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3K00
 | | Crystal structures of the GacH receptor of Streptomyces glaucescens GLA.O in the unliganded form and in complex with acarbose and an acarbose homolog. Comparison with acarbose-loaded maltose binding protein of Salmonella typhimurium. | | Descriptor: | Acarbose/maltose binding protein GacH, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Vahedi-Faridi, A, Licht, A, Bulut, H, Schneider, E. | | Deposit date: | 2009-09-24 | | Release date: | 2010-02-16 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal Structures of the Solute Receptor GacH of Streptomyces glaucescens in Complex with Acarbose and an Acarbose Homolog: Comparison with the Acarbose-Loaded Maltose-Binding Protein of Salmonella typhimurium.
J.Mol.Biol., 397, 2010
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2O35
 | | Protein of Unknown Function (DUF1244) from Sinorhizobium meliloti | | Descriptor: | Hypothetical protein DUF1244, MAGNESIUM ION | | Authors: | Kim, Y, Joachimiak, A, Evdokimova, E, Kudritska, M, Edwards, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2006-11-30 | | Release date: | 2007-01-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | The Crystal Structure of Protein of Unknown Function (DUF1244) from Sinorhizobium meliloti
To be Published
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7BML
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6T9U
 | | Bovine Trypsine in complex with the synthetic inhibitor (S)-3'-(N-(1-(4-(3-(tert-butyl)ureido)piperidin-1-yl)-3-(3-carbamimidoylphenyl)-1-oxopropan-2-yl)sulfamoyl)-[1,1'-biphenyl]-3-carboximidamide (MI-490) | | Descriptor: | 1-~{tert}-butyl-3-[1-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-(3-carbamimidoylphenyl)phenyl]sulfonylamino]propanoyl]piperidin-4-yl]urea, CALCIUM ION, Cationic Trypsin, ... | | Authors: | Mueller, J.M, Merkl, S, Keils, A, Pilgram, O, Steinmetzer, T. | | Deposit date: | 2019-10-28 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.067509 Å) | | Cite: | Improving the selectivity of 3-amidinophenylalanine-derived matriptase inhibitors
Eur.J.Med.Chem., 2022
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1YG9
 | | The structure of mutant (N93Q) of bla g 2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Aspartic protease Bla g 2, ... | | Authors: | Li, M, Gustchina, A, Wuenschmann, S, Pomes, A, Wlodawer, A. | | Deposit date: | 2005-01-04 | | Release date: | 2005-03-22 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal structure of cockroach allergen Bla g 2, an unusual zinc binding aspartic protease with a novel mode of self-inhibition.
J.Mol.Biol., 348, 2005
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7LFO
 | | Protein Tyrosine Phosphatase 1B | | Descriptor: | MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Sarkar, A, Kim, E.Y, Hongdusit, A, Sankaran, B, Fox, J.M. | | Deposit date: | 2021-01-18 | | Release date: | 2021-05-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Microbially Guided Discovery and Biosynthesis of Biologically Active Natural Products.
Acs Synth Biol, 10, 2021
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6ZTM
 | | E. coli 70S-RNAP expressome complex in collided state without NusG | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Webster, M.W, Takacs, M, Weixlbaumer, A. | | Deposit date: | 2020-07-20 | | Release date: | 2020-09-16 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural basis of transcription-translation coupling and collision in bacteria.
Science, 369, 2020
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2NWH
 | | Carbohydrate kinase from Agrobacterium tumefaciens | | Descriptor: | CALCIUM ION, CHLORIDE ION, SODIUM ION, ... | | Authors: | Osipiuk, J, Xu, X, Gu, J, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2006-11-14 | | Release date: | 2006-12-12 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | X-ray crystal structure of carbohydrate kinase from Agrobacterium tumefaciens
To be Published
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1K5G
 | | Crystal structure of Ran-GDP-AlFx-RanBP1-RanGAP complex | | Descriptor: | ALUMINUM FLUORIDE, GTP-binding nuclear protein RAN, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Seewald, M.J, Koerner, C, Wittinghofer, A, Vetter, I.R. | | Deposit date: | 2001-10-10 | | Release date: | 2002-02-13 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | RanGAP mediates GTP hydrolysis without an arginine finger.
Nature, 415, 2002
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