4WI1
 
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8FDL
 | | Human Hemoglobin with Nitrosochloramphenicol | | Descriptor: | GLYCEROL, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Powell, S.M, Richter-Addo, G.B, Thomas, L.M. | | Deposit date: | 2022-12-03 | | Release date: | 2023-07-12 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structural investigations of heme protein derivatives resulting from reactions of aryl- and alkylhydroxylamines with human hemoglobin.
J.Inorg.Biochem., 246, 2023
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8FDM
 | | Human Hemoglobin in Complex with Nitrosomethane | | Descriptor: | GLYCEROL, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Powell, S.M, Richter-Addo, G.B, Thomas, L.M. | | Deposit date: | 2022-12-03 | | Release date: | 2023-07-12 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Crystal structural investigations of heme protein derivatives resulting from reactions of aryl- and alkylhydroxylamines with human hemoglobin.
J.Inorg.Biochem., 246, 2023
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3EJS
 | | Golgi alpha-Mannosidase II in complex with 5-substituted swainsonine analog: (5S)-5-[2'-(4-tert-butylphenyl)ethyl]-swainsonine | | Descriptor: | (1S,2R,5S,8R,8aR)-5-[2-(4-tert-butylphenyl)ethyl]octahydroindolizine-1,2,8-triol, (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kuntz, D.A, Shea, K, Rose, D.R. | | Deposit date: | 2008-09-18 | | Release date: | 2009-10-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structural Investigation of the Binding of 5-Substituted Swainsonine Analogues to Golgi alpha-Mannosidase II.
Chembiochem, 11, 2010
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2YM0
 | | Truncated SipD from Salmonella typhimurium | | Descriptor: | CELL INVASION PROTEIN SIPD, GLYCEROL | | Authors: | Lunelli, M, Kolbe, M. | | Deposit date: | 2011-06-06 | | Release date: | 2011-08-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of PrgI-SipD: insight into a secretion competent state of the type three secretion system needle tip and its interaction with host ligands.
PLoS Pathog., 7, 2011
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4DQ7
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3EJT
 | | Golgi alpha-Mannosidase II in complex with 5-substituted swainsonine analog:(5R)-5-[2'-(4-tert-butylphenyl)ethyl]-swainsonine | | Descriptor: | (1S,2R,5R,8R,8aR)-5-[2-(4-tert-butylphenyl)ethyl]octahydroindolizine-1,2,8-triol, (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kuntz, D.A, Shea, K, Rose, D.R. | | Deposit date: | 2008-09-18 | | Release date: | 2009-10-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structural Investigation of the Binding of 5-Substituted Swainsonine Analogues to Golgi alpha-Mannosidase II.
Chembiochem, 11, 2010
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8UTA
 | | yjdF riboswitch from R. gauvreauii in complex with proflavine bound to Fab BL3-6 S97N | | Descriptor: | Fab BL3-6 S97N heavy chain, Fab BL3-6 S97N light chain, MAGNESIUM ION, ... | | Authors: | Krochmal, D, Lewicka, A, Piccirilli, J.A. | | Deposit date: | 2023-10-30 | | Release date: | 2024-04-10 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Structural basis for promiscuity in ligand recognition by yjdF riboswitch.
Cell Discov, 10, 2024
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8UIW
 | | yjdF riboswitch from R. gauvreauii in complex with chelerythrine bound to Fab BL3-6 S97N | | Descriptor: | 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium, Fab BL3-6 S97N heavy chain, Fab BL3-6 S97N light chain, ... | | Authors: | Krochmal, D, Lewicka, A, Piccirilli, J.A. | | Deposit date: | 2023-10-10 | | Release date: | 2024-04-10 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Structural basis for promiscuity in ligand recognition by yjdF riboswitch.
Cell Discov, 10, 2024
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2XU3
 | | CATHEPSIN L WITH A NITRILE INHIBITOR | | Descriptor: | (2S,4R)-4-(2-chlorophenyl)sulfonyl-1-[1-(5-chlorothiophen-2-yl)cyclopropyl]carbonyl-N-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CATHEPSIN L1, ... | | Authors: | Banner, D.W, Benz, J.M, Haap, W. | | Deposit date: | 2010-10-14 | | Release date: | 2011-01-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (0.9 Å) | | Cite: | Systematic Investigation of Halogen Bonding in Protein-Ligand Interactions.
Angew.Chem.Int.Ed.Engl., 50, 2011
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3EUE
 | | Crystal structure of ligand-free human uridine phosphorylase 1 (hUPP1) | | Descriptor: | MAGNESIUM ION, SULFATE ION, Uridine phosphorylase 1 | | Authors: | Roosild, T.P. | | Deposit date: | 2008-10-09 | | Release date: | 2009-03-31 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Implications of the structure of human uridine phosphorylase 1 on the development of novel inhibitors for improving the therapeutic window of fluoropyrimidine chemotherapy.
Bmc Struct.Biol., 9, 2009
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8W15
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3EJP
 | | Golgi alpha-Mannosidase II in complex with 5-substituted swainsonine analog: (5R)-5-[2'-oxo-2'-(phenyl)ethyl]-swainsonine | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 1-phenyl-2-[(1S,2R,5R,8R,8aR)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kuntz, D.A, Rose, D.R. | | Deposit date: | 2008-09-18 | | Release date: | 2009-10-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | Structural Investigation of the Binding of 5-Substituted Swainsonine Analogues to Golgi alpha-Mannosidase II.
Chembiochem, 11, 2010
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1C3Z
 | | THP12-CARRIER PROTEIN FROM YELLOW MEAL WORM | | Descriptor: | THP12 CARRIER PROTEIN | | Authors: | Soennichsen, F.D. | | Deposit date: | 1999-07-10 | | Release date: | 1999-11-10 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | A new class of hexahelical insect proteins revealed as putative carriers of small hydrophobic ligands.
Structure Fold.Des., 7, 1999
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1C3Y
 | | THP12-CARRIER PROTEIN FROM YELLOW MEAL WORM | | Descriptor: | THP12 CARRIER PROTEIN | | Authors: | Soennichsen, F.D. | | Deposit date: | 1999-07-10 | | Release date: | 1999-11-10 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | A new class of hexahelical insect proteins revealed as putative carriers of small hydrophobic ligands.
Structure Fold.Des., 7, 1999
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3RU7
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4DQJ
 | | Structural Investigation of Bacteriophage Phi6 Lysin (in complex with chitotetraose) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, Membrane protein Phi6 P5 | | Authors: | Dessau, M.A, Modis, Y. | | Deposit date: | 2012-02-16 | | Release date: | 2013-01-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.23 Å) | | Cite: | Selective pressure causes an RNA virus to trade reproductive fitness for increased structural and thermal stability of a viral enzyme.
PLoS Genet, 8, 2012
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1O9Z
 | | F17-aG lectin domain from Escherichia coli (ligand free) | | Descriptor: | F17-AG LECTIN DOMAIN | | Authors: | Buts, L, De Genst, E, Loris, R, Oscarson, S, Lahmann, M, Messens, J, Brosens, E, Wyns, L, Bouckaert, J, De Greve, H. | | Deposit date: | 2002-12-23 | | Release date: | 2003-05-29 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The Fimbrial Adhesin F17-G of Enterotoxigenic Escherichia Coli Has an Immunoglobulin-Like Lectin Domain that Binds N-Acetylglucosamine
Mol.Microbiol., 49, 2003
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2WDP
 | | Crystal Structure of Ligand Free Human Caspase-6 | | Descriptor: | CASPASE-6, PHOSPHATE ION | | Authors: | Baumgartner, R, Briand, C, Meder, G, Morse, R, Renatus, M. | | Deposit date: | 2009-03-25 | | Release date: | 2009-10-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The Crystal Structure of Caspase-6, a Selective Effector of Axonal Degeneration.
Biochem.J., 423, 2009
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4MMM
 | | Human Pdrx5 complex with a ligand BP7 | | Descriptor: | 1,1'-BIPHENYL-3,4-DIOL, Peroxiredoxin-5, mitochondrial | | Authors: | Guichou, J.F. | | Deposit date: | 2013-09-09 | | Release date: | 2014-07-30 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Comparing Binding Modes of Analogous Fragments Using NMR in Fragment-Based Drug Design: Application to PRDX5
Plos One, 9, 2014
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3DR4
 | | GDP-perosamine synthase K186A mutant from Caulobacter crescentus with bound sugar ligand | | Descriptor: | 1,2-ETHANEDIOL, Putative perosamine synthetase, [(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S,5S,6R)-3,4-dihydroxy-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-6-methyltetrahydro-2H-pyran-2-yl dihydrogen diphosphate | | Authors: | Holden, H.M, Cook, P.D, Carney, A.E. | | Deposit date: | 2008-07-10 | | Release date: | 2008-10-14 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Accommodation of GDP-linked sugars in the active site of GDP-perosamine synthase
Biochemistry, 47, 2008
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3EJU
 | | Golgi alpha-Mannosidase II in complex with 5-substituted swainsonine analog:(5S)-5-[2'-oxo-2'-(4-tert-butylphenyl)ethyl]-swainsonine | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 1-(4-tert-butylphenyl)-2-[(1S,2R,5S,8R,8aR)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kuntz, D.A, Shea, K, Rose, D.R. | | Deposit date: | 2008-09-18 | | Release date: | 2009-10-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | Structural Investigation of the Binding of 5-Substituted Swainsonine Analogues to Golgi alpha-Mannosidase II.
Chembiochem, 11, 2010
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4R8P
 | | Crystal structure of the Ring1B/Bmi1/UbcH5c PRC1 ubiquitylation module bound to the nucleosome core particle | | Descriptor: | DNA (147-mer), E3 ubiquitin-protein ligase RING2, Ubiquitin-conjugating enzyme E2 D3, ... | | Authors: | McGinty, R.K, Henrici, R.C, Tan, S. | | Deposit date: | 2014-09-02 | | Release date: | 2014-11-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.2846 Å) | | Cite: | Crystal structure of the PRC1 ubiquitylation module bound to the nucleosome.
Nature, 514, 2014
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7L6X
 | | Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to GNE-371 | | Descriptor: | 1,2-ETHANEDIOL, 6-(but-3-en-1-yl)-4-[1-methyl-6-(morpholine-4-carbonyl)-1H-benzimidazol-4-yl]-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one, Transcription initiation factor TFIID subunit 1 | | Authors: | Karim, M.R, Schonbrunn, E. | | Deposit date: | 2020-12-24 | | Release date: | 2021-06-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain.
J.Med.Chem., 65, 2022
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5BX7
 | | PKA in complex with a benzothiophene fragment compound. | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1-benzothiophen-3-ylmethanol, ... | | Authors: | Narayanan, D, Alam, K.A, Engh, R.A. | | Deposit date: | 2015-06-08 | | Release date: | 2016-09-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | PKA based studies of ligand interactions with a methionine gatekeeper.
To Be Published
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