4W93
 
 | | Human pancreatic alpha-amylase in complex with montbretin A | | Descriptor: | CALCIUM ION, CHLORIDE ION, Montbretin A, ... | | Authors: | Williams, L.K, Caner, S, Brayer, G.D. | | Deposit date: | 2014-08-27 | | Release date: | 2015-07-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.352 Å) | | Cite: | The amylase inhibitor montbretin A reveals a new glycosidase inhibition motif.
Nat.Chem.Biol., 11, 2015
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1CHH
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1HSY
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1CHJ
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1CTY
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1CTZ
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1CHI
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4N8W
 | | cathepsin K - chondroitin sulfate complex | | Descriptor: | 2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid, Cathepsin K | | Authors: | Aguda, A.H, Nguyen, N.T, Bromme, D, Brayer, G.D. | | Deposit date: | 2013-10-18 | | Release date: | 2014-11-26 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Structural basis of collagen fiber degradation by cathepsin K.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4N79
 | | Structure of Cathepsin K-dermatan sulfate complex | | Descriptor: | Cathepsin K, alpha-L-idopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-alpha-L-idopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-alpha-L-idopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose | | Authors: | Aguda, A.H, Nguyen, N.T, Bromme, D, Brayer, G.D. | | Deposit date: | 2013-10-15 | | Release date: | 2014-11-26 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Structural basis of collagen fiber degradation by cathepsin K.
Proc.Natl.Acad.Sci.USA, 111, 2014
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1HRM
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6DV5
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3ZOA
 | | The structure of Trehalose Synthase (TreS) of Mycobacterium smegmatis in complex with acarbose | | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Caner, S, Nguyen, N, Aguda, A, Zhang, R, Pan, Y.T, Withers, S.G, Brayer, G.D. | | Deposit date: | 2013-02-21 | | Release date: | 2013-07-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The Structure of the Mycobacterium Smegmatis Trehalose Synthase Reveals an Unusual Active Site Configuration and Acarbose-Binding Mode.
Glycobiology, 23, 2013
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3ZO9
 | | The structure of Trehalose Synthase (TreS) of Mycobacterium smegmatis | | Descriptor: | CALCIUM ION, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Caner, S, Nguyen, N, Aguda, A, Zhang, R, Pan, Y.T, Withers, S.G, Brayer, G.D. | | Deposit date: | 2013-02-21 | | Release date: | 2013-07-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | The Structure of the Mycobacterium Smegmatis Trehalose Synthase Reveals an Unusual Active Site Configuration and Acarbose-Binding Mode.
Glycobiology, 23, 2013
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5E0F
 | | Human pancreatic alpha-amylase in complex with mini-montbretin A | | Descriptor: | 5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl 6-deoxy-2-O-{6-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranosyl}-alpha-L-mannopyranoside, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Caner, S, Brayer, G.D. | | Deposit date: | 2015-09-28 | | Release date: | 2016-09-07 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Human pancreatic alpha-amylase in complex with mini-montbretin A
To Be Published
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1IRV
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1IRW
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5EMY
 | | Human Pancreatic Alpha-Amylase in complex with the mechanism based inactivator glucosyl epi-cyclophellitol | | Descriptor: | (1R,2R,3S,5R,6S)-2,3,5-trihydroxy-6-(hydroxymethyl)cyclohexyl alpha-D-glucopyranoside, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Caner, S, Brayer, G.D. | | Deposit date: | 2015-11-06 | | Release date: | 2016-07-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.231 Å) | | Cite: | Glucosyl epi-cyclophellitol allows mechanism-based inactivation and structural analysis of human pancreatic alpha-amylase.
Febs Lett., 590, 2016
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4YV8
 | | Crystal structure of cathepsin K bound to the covalent inhibitor lichostatinal | | Descriptor: | Cathepsin K, Lichostatinal, SULFATE ION | | Authors: | Aguda, A.H, Nguyen, N.T, Bromme, D, Brayer, G.D. | | Deposit date: | 2015-03-19 | | Release date: | 2016-05-04 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Affinity Crystallography: A New Approach to Extracting High-Affinity Enzyme Inhibitors from Natural Extracts.
J.Nat.Prod., 79, 2016
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4YVA
 | | Cathepsin K co-crystallized with actinomycetes extract | | Descriptor: | Cathepsin K, SULFATE ION | | Authors: | Aguda, A.H, Nguyen, N.T, Bromme, D, Brayer, G.D. | | Deposit date: | 2015-03-19 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Affinity Crystallography: A New Approach to Extracting High-Affinity Enzyme Inhibitors from Natural Extracts.
J.Nat.Prod., 79, 2016
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6OBX
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6OCN
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6PXF
 | | Structure of human Cathepsin K with an ectosteric inhibitor at 1.85 Angstrom resolution | | Descriptor: | 1,6,6-trimethyl-10,11-dioxo-6,7,8,9,10,11-hexahydrophenanthro[1,2-b]furan-2-sulfonic acid, Cathepsin K | | Authors: | Law, S, Aguda, A.H, Nguyen, N.T, Brayer, G.D, Bromme, D. | | Deposit date: | 2019-07-25 | | Release date: | 2020-07-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure of human Cathepsin K with an ectosteric inhibitor at 1.85 Angstrom resolution
To Be Published
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1WLA
 | | MYOGLOBIN (HORSE HEART) RECOMBINANT WILD-TYPE | | Descriptor: | MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Maurus, R, Brayer, G.D. | | Deposit date: | 1997-09-24 | | Release date: | 1998-01-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A myoglobin variant with a polar substitution in a conserved hydrophobic cluster in the heme binding pocket.
Biochim.Biophys.Acta, 1341, 1997
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1XCH
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3IJ8
 | | Directed 'in situ' Elongation as a Strategy to Characterize the Covalent Glycosyl-Enzyme Catalytic Intermediate of Human Pancreatic a-Amylase | | Descriptor: | (2R,3S,4R,5R,6R)-2,6-difluoro-2-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol, 5-fluoro-alpha-L-idopyranose, CALCIUM ION, ... | | Authors: | Li, C, Zhang, R, Withers, S.G, Brayer, G.D. | | Deposit date: | 2009-08-04 | | Release date: | 2009-10-27 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Directed "in situ" inhibitor elongation as a strategy to structurally characterize the covalent glycosyl-enzyme intermediate of human pancreatic alpha-amylase
Biochemistry, 48, 2009
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