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4G6B
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Three dimensional structure analysis of the type II citrate synthase from e.coli
分子名称: Citrate synthase, SULFATE ION
著者Nguyen, N.T, Maurus, R, Stokell, D.J, Ayed, A, Duckworth, H.W, Brayer, G.D.
登録日2012-07-18
公開日2013-11-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Comparative Analysis of Folding and Substrate Binding Sites between Regulated Hexameric Type II Citrate Synthases and Unregulated Dimeric Type I Enzymes.
Biochemistry, 40, 2001
1CPU
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BU of 1cpu by Molmil
SUBSITE MAPPING OF THE ACTIVE SITE OF HUMAN PANCREATIC ALPHA-AMYLASE USING SUBSTRATES, THE PHARMACOLOGICAL INHIBITOR ACARBOSE, AND AN ACTIVE SITE VARIANT
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-amino-4,6-dideoxy-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, 5-HYDROXYMETHYL-CHONDURITOL, ...
著者Brayer, G.D, Sidhu, G, Maurus, R, Rydberg, E.H, Braun, C, Wang, Y, Nguyen, N.T, Overall, C.M, Withers, S.G.
登録日1999-06-07
公開日1999-06-14
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Subsite mapping of the human pancreatic alpha-amylase active site through structural, kinetic, and mutagenesis techniques.
Biochemistry, 39, 2000
2CPU
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BU of 2cpu by Molmil
SUBSITE MAPPING OF THE ACTIVE SITE OF HUMAN PANCREATIC ALPHA-AMYLASE USING SUBSTRATES, THE PHARMACOLOGICAL INHIBITOR ACARBOSE, AND AN ACTIVE SITE VARIANT
分子名称: ALPHA-AMYLASE, CALCIUM ION, CHLORIDE ION
著者Brayer, G.D, Sidhu, G, Maurus, R, Rydberg, E.H, Braun, C, Wang, Y, Nguyen, N.T, Overall, C.M, Withers, S.G.
登録日1999-06-08
公開日2001-06-30
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Subsite mapping of the human pancreatic alpha-amylase active site through structural, kinetic, and mutagenesis techniques.
Biochemistry, 39, 2000
1NXE
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BU of 1nxe by Molmil
A Novel NADH Allosteric Regulator Site is Found on the Surface of the Hexameric Type II Phe383Ala Variant of Citrate Synthase
分子名称: Citrate synthase, SULFATE ION
著者Maurus, R, Nguyen, N.T, Stokell, D.J, Ayed, A, Hultin, P.G, Duckworth, H.W, Brayer, G.D.
登録日2003-02-10
公開日2003-04-08
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Insights into the evolution of allosteric properties. The NADH binding site of hexameric type II citrate synthases.
Biochemistry, 42, 2003
1NXG
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The F383A variant of type II Citrate Synthase complexed with NADH
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Citrate synthase, SULFATE ION
著者Maurus, R, Nguyen, N.T, Stokell, D.J, Ayed, A, Hultin, P.G, Duckworth, H.W, Brayer, G.D.
登録日2003-02-10
公開日2003-04-08
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Insights into the evolution of allosteric properties. The NADH binding site of hexameric type II citrate synthases.
Biochemistry, 42, 2003
1OWC
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Three Dimensional Structure Analysis Of The R109L Variant of the Type II Citrate Synthase From E. Coli
分子名称: Citrate synthase, SULFATE ION
著者Stokell, D.J, Donald, L.J, Maurus, R, Nguyen, N.T, Sadler, G, Choudhary, K, Hultin, P.G, Brayer, G.D, Duckworth, H.W.
登録日2003-03-28
公開日2004-05-18
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
1OWB
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Three Dimensional Structure Analysis Of The Variant R109L NADH Complex of Type II Citrate Synthase From E. Coli
分子名称: Citrate synthase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION
著者Stokell, D.J, Donald, L.J, Maurus, R, Nguyen, N.T, Sadler, G, Choudhary, K, Hultin, P.G, Brayer, G.D, Duckworth, H.W.
登録日2003-03-28
公開日2004-05-18
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
3CPU
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SUBSITE MAPPING OF THE ACTIVE SITE OF HUMAN PANCREATIC ALPHA-AMYLASE USING SUBSTRATES, THE PHARMACOLOGICAL INHIBITOR ACARBOSE, AND AN ACTIVE SITE VARIANT
分子名称: CALCIUM ION, CHLORIDE ION, Pancreatic alpha-amylase, ...
著者Brayer, G.D, Sidhu, G, Maurus, R, Rydberg, E.H, Braun, C, Wang, Y, Nguyen, N.T, Overall, C.M, Withers, S.G.
登録日1999-06-08
公開日2001-06-30
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Subsite mapping of the human pancreatic alpha-amylase active site through structural, kinetic, and mutagenesis techniques.
Biochemistry, 39, 2000
4N8W
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cathepsin K - chondroitin sulfate complex
分子名称: 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
著者Aguda, A.H, Nguyen, N.T, Bromme, D, Brayer, G.D.
登録日2013-10-18
公開日2014-11-26
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Structural basis of collagen fiber degradation by cathepsin K.
Proc.Natl.Acad.Sci.USA, 111, 2014
4N79
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Structure of Cathepsin K-dermatan sulfate complex
分子名称: 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
著者Aguda, A.H, Nguyen, N.T, Bromme, D, Brayer, G.D.
登録日2013-10-15
公開日2014-11-26
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Structural basis of collagen fiber degradation by cathepsin K.
Proc.Natl.Acad.Sci.USA, 111, 2014
6PXF
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Structure of human Cathepsin K with an ectosteric inhibitor at 1.85 Angstrom resolution
分子名称: 1,6,6-trimethyl-10,11-dioxo-6,7,8,9,10,11-hexahydrophenanthro[1,2-b]furan-2-sulfonic acid, Cathepsin K
著者Law, S, Aguda, A.H, Nguyen, N.T, Brayer, G.D, Bromme, D.
登録日2019-07-25
公開日2020-07-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of human Cathepsin K with an ectosteric inhibitor at 1.85 Angstrom resolution
To Be Published
5TUN
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Crystal structure of uninhibited human Cathepsin K at 1.62 Angstrom resolution
分子名称: Cathepsin K
著者Aguda, A.H, Kruglyak, N, Nguyen, N.T, Law, S, Bromme, D, Brayer, G.D.
登録日2016-11-06
公開日2017-01-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Identification of mouse cathepsin K structural elements that regulate the potency of odanacatib.
Biochem. J., 474, 2017
4YV8
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BU of 4yv8 by Molmil
Crystal structure of cathepsin K bound to the covalent inhibitor lichostatinal
分子名称: Cathepsin K, Lichostatinal, SULFATE ION
著者Aguda, A.H, Nguyen, N.T, Bromme, D, Brayer, G.D.
登録日2015-03-19
公開日2016-05-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Affinity Crystallography: A New Approach to Extracting High-Affinity Enzyme Inhibitors from Natural Extracts.
J.Nat.Prod., 79, 2016
4YVA
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Cathepsin K co-crystallized with actinomycetes extract
分子名称: Cathepsin K, SULFATE ION
著者Aguda, A.H, Nguyen, N.T, Bromme, D, Brayer, G.D.
登録日2015-03-19
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Affinity Crystallography: A New Approach to Extracting High-Affinity Enzyme Inhibitors from Natural Extracts.
J.Nat.Prod., 79, 2016
1AZI
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BU of 1azi by Molmil
MYOGLOBIN (HORSE HEART) RECOMBINANT WILD-TYPE COMPLEXED WITH AZIDE
分子名称: AZIDE ION, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Maurus, R, Brayer, G.D.
登録日1997-10-11
公開日1998-02-25
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and spectroscopic studies of azide complexes of horse heart myoglobin and the His-64-->Thr variant.
Biochem.J., 332, 1998
1BVV
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BU of 1bvv by Molmil
SUGAR RING DISTORTION IN THE GLYCOSYL-ENZYME INTERMEDIATE OF A FAMILY G/11 XYLANASE
分子名称: ENDO-1,4-BETA-XYLANASE, beta-D-xylopyranose-(1-4)-1,5-anhydro-2-deoxy-2-fluoro-D-xylitol
著者Sidhu, G, Brayer, G.D.
登録日1998-09-18
公開日1999-06-08
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Sugar ring distortion in the glycosyl-enzyme intermediate of a family G/11 xylanase.
Biochemistry, 38, 1999
1BJE
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BU of 1bje by Molmil
H64T VARIANT OF MYOGLOBIN (HORSE HEART) RECOMBINANT WILD-TYPE COMPLEXED WITH AZIDE
分子名称: AZIDE ION, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Maurus, R, Brayer, G.D.
登録日1997-10-18
公開日1998-01-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and spectroscopic studies of azide complexes of horse heart myoglobin and the His-64-->Thr variant.
Biochem.J., 332, 1998
2BVV
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BU of 2bvv by Molmil
SUGAR RING DISTORTION IN THE GLYCOSYL-ENZYME INTERMEDIATE OF A FAMILY G/11 XYLANASE.
分子名称: PROTEIN (ENDO-1,4-BETA-XYLANASE)
著者Sidhu, G, Brayer, G.D.
登録日1998-11-17
公開日1999-06-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Sugar ring distortion in the glycosyl-enzyme intermediate of a family G/11 xylanase.
Biochemistry, 38, 1999
4W93
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Human pancreatic alpha-amylase in complex with montbretin A
分子名称: CALCIUM ION, CHLORIDE ION, Montbretin A, ...
著者Williams, L.K, Caner, S, Brayer, G.D.
登録日2014-08-27
公開日2015-07-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.352 Å)
主引用文献The amylase inhibitor montbretin A reveals a new glycosidase inhibition motif.
Nat.Chem.Biol., 11, 2015
5T6U
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Crystal structure of mouse cathepsin K at 2.9 Angstroms resolution.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cathepsin K, SULFATE ION
著者Law, S, Aguda, A, Nguyen, N, Brayer, G, Bromme, D.
登録日2016-09-01
公開日2017-01-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Identification of mouse cathepsin K structural elements that regulate the potency of odanacatib.
Biochem. J., 474, 2017
5TDI
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Crystal structure of Cathepsin K with a covalently-linked inhibitor at 1.4 Angstrom resolution.
分子名称: 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
著者Law, S, Aguda, A, Nguyen, N, Brayer, G, Bromme, D.
登録日2016-09-19
公開日2017-01-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Identification of mouse cathepsin K structural elements that regulate the potency of odanacatib.
Biochem. J., 474, 2017
5EMY
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Human Pancreatic Alpha-Amylase in complex with the mechanism based inactivator glucosyl epi-cyclophellitol
分子名称: (1R,2R,3S,5R,6S)-2,3,5-trihydroxy-6-(hydroxymethyl)cyclohexyl alpha-D-glucopyranoside, CALCIUM ION, CHLORIDE ION, ...
著者Caner, S, Brayer, G.D.
登録日2015-11-06
公開日2016-07-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.231 Å)
主引用文献Glucosyl epi-cyclophellitol allows mechanism-based inactivation and structural analysis of human pancreatic alpha-amylase.
Febs Lett., 590, 2016
6DV5
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Oligomeric complex of a Hsp27 24-mer at 3.6 A resolution
分子名称: Heat shock protein beta-1
著者Aguda, A.H, Brayer, G.D.
登録日2018-06-22
公開日2019-06-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.58 Å)
主引用文献Structure-Guided Discovery of Ivermectin as an Inhibitor of Heat Shock Protein-27 Phosphorylation and Depolymerization.
To Be Published
6E02
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WT swMb-MeNO
分子名称: Myoglobin, NITROSOMETHANE, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Herrera, V.E.
登録日2018-07-05
公開日2019-07-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Insights into Nitrosoalkane Binding to Myoglobin Provided by Crystallography of Wild-Type and Distal Pocket Mutant Derivatives.
Biochemistry, 62, 2023
6E03
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BU of 6e03 by Molmil
sperm whale myoglobin nitrosoethane adduct
分子名称: CHLORIDE ION, Myoglobin, NITROSOETHANE, ...
著者Herrera, V.E.
登録日2018-07-05
公開日2019-07-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Insights into Nitrosoalkane Binding to Myoglobin Provided by Crystallography of Wild-Type and Distal Pocket Mutant Derivatives.
Biochemistry, 62, 2023

 

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