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: | 2024-11-06 | | 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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4X0N
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1SGC
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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: | 2024-10-30 | | 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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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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2QV4
 | | Human pancreatic alpha-amylase complexed with nitrite and acarbose | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4,6-dideoxy-4-{[(1S,4R,5R,6S)-4-{[alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl]oxy}-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose, CALCIUM ION, ... | | Authors: | Williams, L.K, Maurus, R, Brayer, G.D. | | Deposit date: | 2007-08-07 | | Release date: | 2008-03-25 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Alternative catalytic anions differentially modulate human alpha-amylase activity and specificity
Biochemistry, 47, 2008
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2QMK
 | | Human pancreatic alpha-amylase complexed with nitrite | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NITRITE ION, ... | | Authors: | Williams, L.K, Maurus, R, Brayer, G.D. | | Deposit date: | 2007-07-16 | | Release date: | 2008-03-25 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Alternative catalytic anions differentially modulate human alpha-amylase activity and specificity
Biochemistry, 47, 2008
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4X9Y
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1KGX
 | | Three Dimensional Structure Analysis of the R195Q Variant of Human Pancreatic Alpha Amylase | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-AMYLASE, PANCREATIC, ... | | Authors: | Numao, S, Maurus, R, Sidhu, G, Wang, Y, Overall, C.M, Brayer, G.D, Withers, S.G. | | Deposit date: | 2001-11-28 | | Release date: | 2002-01-16 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Probing the role of the chloride ion in the mechanism of human pancreatic alpha-amylase.
Biochemistry, 41, 2002
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1KGU
 | | THREE DIMENSIONAL STRUCTURE ANALYSIS OF THE R337A VARIANT OF HUMAN PANCREATIC ALPHA-AMYLASE | | Descriptor: | ALPHA-AMYLASE, PANCREATIC, CALCIUM ION | | Authors: | Numao, S, Maurus, R, Sidhu, G, Wang, Y, Overall, C.M, Brayer, G.D, Withers, S.G. | | Deposit date: | 2001-11-28 | | Release date: | 2002-01-16 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Probing the role of the chloride ion in the mechanism of human pancreatic alpha-amylase.
Biochemistry, 41, 2002
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5TDI
 | | Crystal structure of Cathepsin K with a covalently-linked inhibitor at 1.4 Angstrom resolution. | | Descriptor: | 4-fluoro-N-{1-[(Z)-iminomethyl]cyclopropyl}-N~2~-{(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)[1,1'-biphenyl]-4-yl]ethyl }-L-leucinamide, Cathepsin K | | Authors: | Law, S, Aguda, A, Nguyen, N, Brayer, G, Bromme, D. | | Deposit date: | 2016-09-19 | | Release date: | 2017-01-25 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Identification of mouse cathepsin K structural elements that regulate the potency of odanacatib.
Biochem. J., 474, 2017
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5T6U
 | | Crystal structure of mouse cathepsin K at 2.9 Angstroms resolution. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cathepsin K, SULFATE ION | | Authors: | Law, S, Aguda, A, Nguyen, N, Brayer, G, Bromme, D. | | Deposit date: | 2016-09-01 | | Release date: | 2017-01-18 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Identification of mouse cathepsin K structural elements that regulate the potency of odanacatib.
Biochem. J., 474, 2017
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1KGW
 | | THREE DIMENSIONAL STRUCTURE ANALYSIS OF THE R337Q VARIANT OF HUMAN PANCREATIC ALPHA-MYLASE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-AMYLASE, PANCREATIC, ... | | Authors: | Numao, S, Maurus, R, Sidhu, G, Wang, Y, Overall, C.M, Brayer, G.D, Withers, S.G. | | Deposit date: | 2001-11-28 | | Release date: | 2002-01-16 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Probing the role of the chloride ion in the mechanism of human pancreatic alpha-amylase.
Biochemistry, 41, 2002
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1KBB
 | | Mechanistic Analyses of Catalysis in Human Pancreatic alpha-Amylase: Detailed Kinetic and Structural Studies of Mutants of Three Conserved Carboxylic Acids | | Descriptor: | ALPHA-AMYLASE, PANCREATIC, CALCIUM ION, ... | | Authors: | Rydberg, E.H, Li, C, Maurus, R, Overall, C.M, Brayer, G.D, Withers, S.G. | | Deposit date: | 2001-11-05 | | Release date: | 2002-04-10 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mechanistic analyses of catalysis in human pancreatic alpha-amylase: detailed kinetic and structural studies of mutants of three conserved carboxylic acids.
Biochemistry, 41, 2002
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1KBK
 | | Mechanistic Analyses of Catalysis in Human Pancreatic Alpha-Amylase: Detailed Kinetic and Structural Studies of Mutants of Three Conserved Carboxylic Acids | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-AMYLASE, PANCREATIC, ... | | Authors: | Rydberg, E.H, Li, C, Maurus, R, Overall, C.M, Brayer, G.D, Withers, S.G. | | Deposit date: | 2001-11-06 | | Release date: | 2002-04-10 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mechanistic analyses of catalysis in human pancreatic alpha-amylase: detailed kinetic and structural studies of mutants of three conserved carboxylic acids.
Biochemistry, 41, 2002
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1U33
 | | In situ extension as an approach for identifying novel alpha-amylase inhibitors | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4'-O-METHYL-MALTOSYL-ALPHA (1,4)-(Z, 3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-PIPERIDIN-2-ONE, ... | | Authors: | Numao, S, Li, C, Damager, I, Wrodnigg, T.M, Begum, A, Overall, C.M, Brayer, G.D, Withers, S.G. | | Deposit date: | 2004-07-20 | | Release date: | 2004-09-07 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | In Situ Extension as an Approach for Identifying Novel alpha-Amylase Inhibitors.
J.Biol.Chem., 279, 2004
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1U30
 | | In situ extension as an approach for identifying novel alpha-amylase inhibitors, structure containing maltosyl-alpha (1,4)-D-gluconhydroximo-1,5-lactam | | Descriptor: | (2S,3S,4R,5R)-6-(HYDROXYAMINO)-2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-3,4,5-TRIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-amylase, ... | | Authors: | Numao, S, Li, C, Damager, I, Wrodnigg, T.M, Begum, A, Overall, C.M, Brayer, G.D, Withers, S.G. | | Deposit date: | 2004-07-20 | | Release date: | 2004-09-07 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | In Situ Extension as an Approach for Identifying Novel alpha-Amylase Inhibitors.
J.Biol.Chem., 279, 2004
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1U2Y
 | | In situ extension as an approach for identifying novel alpha-amylase inhibitors, structure containing D-gluconhydroximo-1,5-lactam | | Descriptor: | (2S,3S,4R,5R)-6-(HYDROXYAMINO)-2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-3,4,5-TRIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-amylase, ... | | Authors: | Numao, S, Li, C, Damager, I, Wrodnigg, T.M, Begum, A, Overall, C.M, Brayer, G.D, Withers, S.G. | | Deposit date: | 2004-07-20 | | Release date: | 2004-09-07 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | In Situ Extension as an Approach for Identifying Novel alpha-Amylase Inhibitors.
J.Biol.Chem., 279, 2004
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1BVV
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2ALP
 | | REFINED STRUCTURE OF ALPHA-LYTIC PROTEASE AT 1.7 ANGSTROMS RESOLUTION. ANALYSIS OF HYDROGEN BONDING AND SOLVENT STRUCTURE | | Descriptor: | ALPHA-LYTIC PROTEASE, SULFATE ION | | Authors: | Fujinaga, M, Delbaere, L.T.J, Brayer, G.D, James, M.N.G. | | Deposit date: | 1985-03-07 | | Release date: | 1985-07-17 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Refined structure of alpha-lytic protease at 1.7 A resolution. Analysis of hydrogen bonding and solvent structure.
J.Mol.Biol., 184, 1985
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1RSE
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1YMC
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1YMA
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