4G6B
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![BU of 4g6b by Molmil](/molmil-images/mine/4g6b) | Three dimensional structure analysis of the type II citrate synthase from e.coli | Descriptor: | Citrate synthase, SULFATE ION | Authors: | Nguyen, N.T, Maurus, R, Stokell, D.J, Ayed, A, Duckworth, H.W, Brayer, G.D. | Deposit date: | 2012-07-18 | Release date: | 2013-11-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Comparative Analysis of Folding and Substrate Binding Sites between Regulated Hexameric Type II Citrate Synthases and Unregulated Dimeric Type I Enzymes. Biochemistry, 40, 2001
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4N8W
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![BU of 4n8w by Molmil](/molmil-images/mine/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
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![BU of 4n79 by Molmil](/molmil-images/mine/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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1CPU
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![BU of 1cpu by Molmil](/molmil-images/mine/1cpu) | SUBSITE MAPPING OF THE ACTIVE SITE OF HUMAN PANCREATIC ALPHA-AMYLASE USING SUBSTRATES, THE PHARMACOLOGICAL INHIBITOR ACARBOSE, AND AN ACTIVE SITE VARIANT | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-amino-4,6-dideoxy-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, 5-HYDROXYMETHYL-CHONDURITOL, ... | Authors: | Brayer, G.D, Sidhu, G, Maurus, R, Rydberg, E.H, Braun, C, Wang, Y, Nguyen, N.T, Overall, C.M, Withers, S.G. | Deposit date: | 1999-06-07 | Release date: | 1999-06-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Subsite mapping of the human pancreatic alpha-amylase active site through structural, kinetic, and mutagenesis techniques. Biochemistry, 39, 2000
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2CPU
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![BU of 2cpu by Molmil](/molmil-images/mine/2cpu) | SUBSITE MAPPING OF THE ACTIVE SITE OF HUMAN PANCREATIC ALPHA-AMYLASE USING SUBSTRATES, THE PHARMACOLOGICAL INHIBITOR ACARBOSE, AND AN ACTIVE SITE VARIANT | Descriptor: | ALPHA-AMYLASE, CALCIUM ION, CHLORIDE ION | Authors: | Brayer, G.D, Sidhu, G, Maurus, R, Rydberg, E.H, Braun, C, Wang, Y, Nguyen, N.T, Overall, C.M, Withers, S.G. | Deposit date: | 1999-06-08 | Release date: | 2001-06-30 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Subsite mapping of the human pancreatic alpha-amylase active site through structural, kinetic, and mutagenesis techniques. Biochemistry, 39, 2000
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1OWC
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![BU of 1owc by Molmil](/molmil-images/mine/1owc) | Three Dimensional Structure Analysis Of The R109L Variant of the Type II Citrate Synthase From E. Coli | Descriptor: | Citrate synthase, SULFATE ION | Authors: | Stokell, D.J, Donald, L.J, Maurus, R, Nguyen, N.T, Sadler, G, Choudhary, K, Hultin, P.G, Brayer, G.D, Duckworth, H.W. | Deposit date: | 2003-03-28 | Release date: | 2004-05-18 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Probing the roles of key residues in the unique regulatory NADH binding site of type II citrate synthase of Escherichia coli. J.Biol.Chem., 278, 2003
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1OWB
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![BU of 1owb by Molmil](/molmil-images/mine/1owb) | Three Dimensional Structure Analysis Of The Variant R109L NADH Complex of Type II Citrate Synthase From E. Coli | Descriptor: | Citrate synthase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION | Authors: | Stokell, D.J, Donald, L.J, Maurus, R, Nguyen, N.T, Sadler, G, Choudhary, K, Hultin, P.G, Brayer, G.D, Duckworth, H.W. | Deposit date: | 2003-03-28 | Release date: | 2004-05-18 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Probing the roles of key residues in the unique regulatory NADH binding site of type II citrate synthase of Escherichia coli. J.Biol.Chem., 278, 2003
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1NXE
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![BU of 1nxe by Molmil](/molmil-images/mine/1nxe) | A Novel NADH Allosteric Regulator Site is Found on the Surface of the Hexameric Type II Phe383Ala Variant of Citrate Synthase | Descriptor: | Citrate synthase, SULFATE ION | Authors: | Maurus, R, Nguyen, N.T, Stokell, D.J, Ayed, A, Hultin, P.G, Duckworth, H.W, Brayer, G.D. | Deposit date: | 2003-02-10 | Release date: | 2003-04-08 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Insights into the evolution of allosteric properties. The NADH binding site of hexameric type II citrate synthases. Biochemistry, 42, 2003
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1NXG
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![BU of 1nxg by Molmil](/molmil-images/mine/1nxg) | The F383A variant of type II Citrate Synthase complexed with NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Citrate synthase, SULFATE ION | Authors: | Maurus, R, Nguyen, N.T, Stokell, D.J, Ayed, A, Hultin, P.G, Duckworth, H.W, Brayer, G.D. | Deposit date: | 2003-02-10 | Release date: | 2003-04-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Insights into the evolution of allosteric properties. The NADH binding site of hexameric type II citrate synthases. Biochemistry, 42, 2003
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3CPU
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![BU of 3cpu by Molmil](/molmil-images/mine/3cpu) | SUBSITE MAPPING OF THE ACTIVE SITE OF HUMAN PANCREATIC ALPHA-AMYLASE USING SUBSTRATES, THE PHARMACOLOGICAL INHIBITOR ACARBOSE, AND AN ACTIVE SITE VARIANT | Descriptor: | CALCIUM ION, CHLORIDE ION, Pancreatic alpha-amylase, ... | Authors: | Brayer, G.D, Sidhu, G, Maurus, R, Rydberg, E.H, Braun, C, Wang, Y, Nguyen, N.T, Overall, C.M, Withers, S.G. | Deposit date: | 1999-06-08 | Release date: | 2001-06-30 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Subsite mapping of the human pancreatic alpha-amylase active site through structural, kinetic, and mutagenesis techniques. Biochemistry, 39, 2000
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6PXF
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![BU of 6pxf by Molmil](/molmil-images/mine/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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4YV8
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![BU of 4yv8 by Molmil](/molmil-images/mine/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
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![BU of 4yva by Molmil](/molmil-images/mine/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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5TUN
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![BU of 5tun by Molmil](/molmil-images/mine/5tun) | Crystal structure of uninhibited human Cathepsin K at 1.62 Angstrom resolution | Descriptor: | Cathepsin K | Authors: | Aguda, A.H, Kruglyak, N, Nguyen, N.T, Law, S, Bromme, D, Brayer, G.D. | Deposit date: | 2016-11-06 | Release date: | 2017-01-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Identification of mouse cathepsin K structural elements that regulate the potency of odanacatib. Biochem. J., 474, 2017
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5T6U
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![BU of 5t6u by Molmil](/molmil-images/mine/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: | 2023-10-04 | 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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6E02
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![BU of 6e02 by Molmil](/molmil-images/mine/6e02) | WT swMb-MeNO | Descriptor: | Myoglobin, NITROSOMETHANE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Herrera, V.E. | Deposit date: | 2018-07-05 | Release date: | 2019-07-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Insights into Nitrosoalkane Binding to Myoglobin Provided by Crystallography of Wild-Type and Distal Pocket Mutant Derivatives. Biochemistry, 62, 2023
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6E03
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![BU of 6e03 by Molmil](/molmil-images/mine/6e03) | sperm whale myoglobin nitrosoethane adduct | Descriptor: | CHLORIDE ION, Myoglobin, NITROSOETHANE, ... | Authors: | Herrera, V.E. | Deposit date: | 2018-07-05 | Release date: | 2019-07-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Insights into Nitrosoalkane Binding to Myoglobin Provided by Crystallography of Wild-Type and Distal Pocket Mutant Derivatives. Biochemistry, 62, 2023
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6E04
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![BU of 6e04 by Molmil](/molmil-images/mine/6e04) | sperm whale myoglobin 1-nitrosopropane | Descriptor: | 1-nitrosopropane, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Herrera, V.E. | Deposit date: | 2018-07-06 | Release date: | 2019-07-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Insights into Nitrosoalkane Binding to Myoglobin Provided by Crystallography of Wild-Type and Distal Pocket Mutant Derivatives. Biochemistry, 62, 2023
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4W93
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![BU of 4w93 by Molmil](/molmil-images/mine/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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1AZI
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![BU of 1azi by Molmil](/molmil-images/mine/1azi) | |
1BJE
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![BU of 1bje by Molmil](/molmil-images/mine/1bje) | |
1BVV
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![BU of 1bvv by Molmil](/molmil-images/mine/1bvv) | |
2BVV
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![BU of 2bvv by Molmil](/molmil-images/mine/2bvv) | |
4X0N
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![BU of 4x0n by Molmil](/molmil-images/mine/4x0n) | |
5EMY
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![BU of 5emy by Molmil](/molmil-images/mine/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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