1B2Y
 
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7KDT
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1KXQ
 | | Camelid VHH Domain in Complex with Porcine Pancreatic alpha-Amylase | | Descriptor: | CALCIUM ION, CHLORIDE ION, alpha-amylase, ... | | Authors: | Desmyter, A, Spinelli, S, Payan, F, Lauwereys, M, Wyns, L, Muyldermans, S, Cambillau, C. | | Deposit date: | 2002-02-01 | | Release date: | 2002-06-19 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Three camelid VHH domains in complex with porcine pancreatic alpha-amylase. Inhibition and versatility of binding topology.
J.Biol.Chem., 277, 2002
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3DJC
 | | CRYSTAL STRUCTURE OF PANTOTHENATE KINASE FROM LEGIONELLA PNEUMOPHILA | | Descriptor: | GLYCEROL, Type III pantothenate kinase | | Authors: | Patskovsky, Y, Bonanno, J.B, Romero, R, Dickey, M, Logan, C, Wasserman, S, Maletic, M, Koss, J, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2008-06-23 | | Release date: | 2008-07-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structure of Pantothenate Kinase from Legionella Pneumophila
To be Published
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7U29
 | | Structure of SARS-CoV-2 Mpro mutant (K90R) in complex with Nirmatrelvir (PF-07321332) | | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | Authors: | Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E. | | Deposit date: | 2022-02-23 | | Release date: | 2022-03-09 | | Last modified: | 2022-06-15 | | Method: | X-RAY DIFFRACTION (2.088 Å) | | Cite: | Structural basis for the in vitro efficacy of nirmatrelvir against SARS-CoV-2 variants.
J.Biol.Chem., 298, 2022
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7U28
 | | Structure of SARS-CoV-2 Mpro Lambda (G15S) in complex with Nirmatrelvir (PF-07321332) | | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | Authors: | Greasley, S.E, Ferre, R.A, Plotnikova, O, Liu, W, Stewart, A.E. | | Deposit date: | 2022-02-23 | | Release date: | 2022-03-09 | | Last modified: | 2022-06-15 | | Method: | X-RAY DIFFRACTION (1.679 Å) | | Cite: | Structural basis for the in vitro efficacy of nirmatrelvir against SARS-CoV-2 variants.
J.Biol.Chem., 298, 2022
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1KXT
 | | Camelid VHH Domains in Complex with Porcine Pancreatic alpha-Amylase | | Descriptor: | ALPHA-AMYLASE, PANCREATIC, CALCIUM ION, ... | | Authors: | Desmyter, A, Spinelli, S, Payan, F, Lauwereys, M, Wyns, L, Muyldermans, S, Cambillau, C. | | Deposit date: | 2002-02-01 | | Release date: | 2002-06-19 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Three camelid VHH domains in complex with porcine pancreatic alpha-amylase. Inhibition and versatility of binding topology.
J.Biol.Chem., 277, 2002
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8I8J
 | | Crystal structure of the ternary complex of Phosphopantetheine adenylyltransferase (PPAT) from Enterobacter sp. with Coenzyme-A and Phosphonoacetic acid at 2.07 A resolution. | | Descriptor: | 1,2-ETHANEDIOL, COENZYME A, GLYCEROL, ... | | Authors: | Ahmad, N, Sharma, P, Sharma, S, Singh, T.P. | | Deposit date: | 2023-02-04 | | Release date: | 2023-03-01 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Crystal structure of the ternary complex of Phosphopantetheine adenylyltransferase (PPAT) from Enterobacter sp. with Coenzyme-A and Phosphonoacetic acid at 2.07 A resolution.
To Be Published
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8I8K
 | | Crystal structure of the ternary complex of Phosphopantetheine adenylyltransferase (PPAT) from Enterobacter sp. with Coenzyme-A and Phosphonoacetic acid at 2.13 A resolution. | | Descriptor: | 1,2-ETHANEDIOL, COENZYME A, GLYCEROL, ... | | Authors: | Ahmad, N, Sharma, P, Sharma, S, Singh, T.P. | | Deposit date: | 2023-02-04 | | Release date: | 2023-03-01 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.127 Å) | | Cite: | Crystal structure of the ternary complex of Phosphopantetheine adenylyltransferase (PPAT) from Enterobacter sp. with Coenzyme-A and Phosphonoacetic acid at 2.13 A resolution.
To Be Published
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8I8L
 | | Crystal structure of the ternary complex of Phosphopantetheine adenylyltransferase (PPAT) from Enterobacter sp. with Coenzyme-A and Phosphonoacetic acid at 2.23 A resolution. | | Descriptor: | 1,2-ETHANEDIOL, COENZYME A, GLYCEROL, ... | | Authors: | Ahmad, N, Sharma, P, Sharma, S, Singh, T.P. | | Deposit date: | 2023-02-04 | | Release date: | 2023-03-01 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Crystal structure of the ternary complex of Phosphopantetheine adenylyltransferase (PPAT) from Enterobacter sp. with Coenzyme-A and Phosphonoacetic acid at 2.23 A resolution.
To Be Published
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8I8N
 | | Crystal structure of the ternary complex of Phosphopantetheine adenylyltransferase (PPAT) from Enterobacter sp. with Dephosphocoenzyme-A and Phosphonoacetic acid at 2.22 A resolution. | | Descriptor: | 1,2-ETHANEDIOL, DEPHOSPHO COENZYME A, GLYCEROL, ... | | Authors: | Ahmad, N, Sharma, P, Sharma, S, Singh, T.P. | | Deposit date: | 2023-02-04 | | Release date: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Crystal structure of the ternary complex of Phosphopantetheine adenylyltransferase (PPAT) from Enterobacter sp. with Dephosphocoenzyme-A and Phosphonoacetic acid at 2.22 A resolution.
To Be Published
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5UAB
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5MMA
 | | Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ379 (compound 5'g) | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3'), ... | | Authors: | Maskell, D.P, Pye, V.E, Cherepanov, P. | | Deposit date: | 2016-12-09 | | Release date: | 2017-08-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structure-Guided Optimization of HIV Integrase Strand Transfer Inhibitors.
J. Med. Chem., 60, 2017
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3O6Z
 | | Structure of the D152A E.coli GDP-mannose hydrolase (yffh) in complex with Mg++ | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Amzel, L.M, Gabelli, S.B, Boto, A.N. | | Deposit date: | 2010-07-29 | | Release date: | 2011-05-11 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural studies of the Nudix GDP-mannose hydrolase from E. coli reveals a new motif for mannose recognition.
Proteins, 79, 2011
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5NO1
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7TLL
 | | Structure of SARS-CoV-2 Mpro Omicron P132H in complex with Nirmatrelvir (PF-07321332) | | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | Authors: | Greasley, S.E, Ferre, R.A, Plotnikova, O, Liu, W, Stewart, A.E. | | Deposit date: | 2022-01-18 | | Release date: | 2022-01-26 | | Last modified: | 2022-06-15 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Structural basis for the in vitro efficacy of nirmatrelvir against SARS-CoV-2 variants.
J.Biol.Chem., 298, 2022
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2XE4
 | | Structure of Oligopeptidase B from Leishmania major | | Descriptor: | ANTIPAIN, CHLORIDE ION, GLYCEROL, ... | | Authors: | McLuskey, K, Paterson, N.G, Bland, N.D, Mottram, J.C, Isaacs, N.W. | | Deposit date: | 2010-05-11 | | Release date: | 2010-10-06 | | Last modified: | 2019-05-15 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal Structure of Leishmania Major Oligopeptidase B Gives Insight Into the Enzymatic Properties of a Trypanosomatid Virulence Factor.
J.Biol.Chem., 285, 2010
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3POJ
 | | Crystal structure of MASP-1 CUB2 domain bound to Ethylamine | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ETHANAMINE, ... | | Authors: | Gingras, A.R, Moody, P.C.E, Wallis, R. | | Deposit date: | 2010-11-22 | | Release date: | 2011-08-24 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.451 Å) | | Cite: | Structural Basis of Mannan-Binding Lectin Recognition by Its Associated Serine Protease MASP-1: Implications for Complement Activation.
Structure, 19, 2011
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2W67
 | | BtGH84 in complex with FMA34 | | Descriptor: | CALCIUM ION, GLYCEROL, N-[(3S,4R,5R,6R)-4,5,6-trihydroxyazepan-3-yl]acetamide, ... | | Authors: | He, Y, Davies, G.J. | | Deposit date: | 2008-12-17 | | Release date: | 2009-04-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Molecular Basis for Inhibition of Gh84 Glycoside Hydrolases by Substituted Azepanes: Conformational Flexibility Enables Probing of Substrate Distortion.
J.Am.Chem.Soc., 131, 2009
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2W66
 | | BtGH84 in complex with HQ602 | | Descriptor: | CALCIUM ION, GLYCEROL, N-[(3R,4S,5R,6R,7R)-3,5,6-trihydroxy-7-(hydroxymethyl)azepan-4-yl]acetamide, ... | | Authors: | He, Y, Davies, G.J. | | Deposit date: | 2008-12-17 | | Release date: | 2009-04-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Molecular Basis for Inhibition of Gh84 Glycoside Hydrolases by Substituted Azepanes: Conformational Flexibility Enables Probing of Substrate Distortion.
J.Am.Chem.Soc., 131, 2009
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4NQ8
 | | Crystal structure of a trap periplasmic solute binding protein from Bordetella bronchispeptica (bb3421), target EFI-510039, with density modeled as pantoate | | Descriptor: | CHLORIDE ION, PANTOATE, Putative periplasmic substrate-binding transport protein, ... | | Authors: | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-11-24 | | Release date: | 2014-01-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
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1WO2
 | | Crystal structure of the pig pancreatic alpha-amylase complexed with malto-oligosaacharides under the effect of the chloride ion | | Descriptor: | 1,2-ETHANEDIOL, Alpha-amylase, pancreatic, ... | | Authors: | Qian, M, Payan, F, Nahoum, V. | | Deposit date: | 2004-08-11 | | Release date: | 2005-03-15 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Molecular Basis of the Effects of Chloride Ion on the Acid-Base Catalyst in the Mechanism of Pancreatic alpha-Amylase
Biochemistry, 44, 2005
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3RJA
 | | Crystal structure of carbohydrate oxidase from Microdochium nivale in complex with substrate analogue | | Descriptor: | (2R,3R,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-oxopiperidin-3-yl beta-D-glucopyranoside, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Duskova, J, Skalova, T, Kolenko, P, Stepankova, A, Koval, T, Hasek, J, Ostergaard, L.H, Fuglsang, C.C, Dohnalek, J. | | Deposit date: | 2011-04-15 | | Release date: | 2012-04-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure and kinetic studies of carbohydrate oxidase from Microdochium nivale
To be Published
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1PPT
 | | X-RAY ANALYSIS (1.4-ANGSTROMS RESOLUTION) OF AVIAN PANCREATIC POLYPEPTIDE. SMALL GLOBULAR PROTEIN HORMONE | | Descriptor: | AVIAN PANCREATIC POLYPEPTIDE, ZINC ION | | Authors: | Blundell, T.L, Pitts, J.E, Tickle, I.J, Wood, S.P. | | Deposit date: | 1981-01-16 | | Release date: | 1981-02-19 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | X-ray analysis (1. 4-A resolution) of avian pancreatic polypeptide: Small globular protein hormone.
Proc.Natl.Acad.Sci.Usa, 78, 1981
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5KKW
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