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3EW8
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BU of 3ew8 by Molmil
Crystal Structure Analysis of human HDAC8 D101L variant
Descriptor: 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, BETA-MERCAPTOETHANOL, GLYCEROL, ...
Authors:Dowling, D.P, Gantt, S.L, Gattis, S.G, Fierke, C.A, Christianson, D.W.
Deposit date:2008-10-14
Release date:2008-12-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural studies of human histone deacetylase 8 and its site-specific variants complexed with substrate and inhibitors.
Biochemistry, 47, 2008
3F0R
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BU of 3f0r by Molmil
Crystal Structure Analysis of Human HDAC8 complexed with trichostatin A in a new monoclinic crystal form
Descriptor: Histone deacetylase 8, POTASSIUM ION, TRICHOSTATIN A, ...
Authors:Dowling, D.P, Gantt, S.L, Gattis, S.G, Fierke, C.A, Christianson, D.W.
Deposit date:2008-10-25
Release date:2008-12-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Structural studies of human histone deacetylase 8 and its site-specific variants complexed with substrate and inhibitors.
Biochemistry, 47, 2008
4CAA
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BU of 4caa by Molmil
CLEAVED ANTICHYMOTRYPSIN T345R
Descriptor: ANTICHYMOTRYPSIN
Authors:Lukacs, C.M, Christianson, D.W.
Deposit date:1997-08-14
Release date:1998-02-25
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Engineering an anion-binding cavity in antichymotrypsin modulates the "spring-loaded" serpin-protease interaction.
Biochemistry, 37, 1998
3F80
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BU of 3f80 by Molmil
(S)-2-amino-6-nitrohexanoic acid binds to human arginase I through multiple nitro-metal coordination interactions in the binuclear manganese cluster. Resolution 1.60 A.
Descriptor: 6-nitro-L-norleucine, Arginase-1, MANGANESE (II) ION
Authors:Di Costanzo, L, Christianson, D.W.
Deposit date:2008-11-10
Release date:2008-12-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:(S)-2-Amino-6-nitrohexanoic Acid Binds to Human Arginase I through Multiple Nitro-Metal Coordination Interactions in the Binuclear Manganese Cluster.
J.Am.Chem.Soc., 130, 2008
3ZNC
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BU of 3znc by Molmil
MURINE CARBONIC ANHYDRASE IV COMPLEXED WITH BRINZOLAMIDE
Descriptor: (+)-4-ETHYLAMINO-3,4-DIHYDRO-2-(METHOXY)PROPYL-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, CARBONIC ANHYDRASE IV, ZINC ION
Authors:Stams, T, Chen, Y, Christianson, D.W.
Deposit date:1998-02-10
Release date:1999-03-23
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of murine carbonic anhydrase IV and human carbonic anhydrase II complexed with brinzolamide: molecular basis of isozyme-drug discrimination.
Protein Sci., 7, 1998
3KBK
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BU of 3kbk by Molmil
Epi-isozizaene synthase complexed with Hg
Descriptor: CHLORIDE ION, Epi-isozizaene synthase, MERCURY (II) ION, ...
Authors:Aaron, J.A, Lin, X, Cane, D.E, Christianson, D.W.
Deposit date:2009-10-20
Release date:2010-02-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of Epi-Isozizaene Synthase from Streptomyces coelicolor A3(2), a Platform for New Terpenoid Cyclization Templates
Biochemistry, 49, 2010
3KB9
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BU of 3kb9 by Molmil
Epi-isozizaene synthase: Complex with Mg, inorganic pyrophosphate and benzyl triethyl ammonium cation
Descriptor: Epi-isozizaene synthase, GLYCEROL, MAGNESIUM ION, ...
Authors:Aaron, J.A, Lin, X, Cane, D.E, Christianson, D.W.
Deposit date:2009-10-20
Release date:2010-02-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.598 Å)
Cite:Structure of Epi-Isozizaene Synthase from Streptomyces coelicolor A3(2), a Platform for New Terpenoid Cyclization Templates
Biochemistry, 49, 2010
5DW7
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BU of 5dw7 by Molmil
Crystal structure of the unliganded geosmin synthase N-terminal domain from Streptomyces coelicolor
Descriptor: Germacradienol/geosmin synthase
Authors:Lombardi, P.M, Harris, G.G, Pemberton, T.A, Matsui, T, Weiss, T.M, Cole, K.E, Koksal, M, Murphy, F.V, Vedula, L.S, Chou, W.K, Cane, D.E, Christianson, D.W.
Deposit date:2015-09-22
Release date:2015-11-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.202 Å)
Cite:Structural Studies of Geosmin Synthase, a Bifunctional Sesquiterpene Synthase with alpha alpha Domain Architecture That Catalyzes a Unique Cyclization-Fragmentation Reaction Sequence.
Biochemistry, 54, 2015
2PS5
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BU of 2ps5 by Molmil
N225D Trichodiene Synthase: Complex With Mg and Pyrophosphate
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, PYROPHOSPHATE 2-, ...
Authors:Vedula, L.S, Cane, D.E, Christianson, D.W.
Deposit date:2007-05-04
Release date:2007-12-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and mechanistic analysis of trichodiene synthase using site-directed mutagenesis: probing the catalytic function of tyrosine-295 and the asparagine-225/serine-229/glutamate-233-Mg2+B motif.
Arch.Biochem.Biophys., 469, 2008
2PS4
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BU of 2ps4 by Molmil
N225D trichodiene synthase
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, Trichodiene synthase
Authors:Vedula, L.S, Cane, D.E, Christianson, D.W.
Deposit date:2007-05-04
Release date:2007-12-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Structural and mechanistic analysis of trichodiene synthase using site-directed mutagenesis: probing the catalytic function of tyrosine-295 and the asparagine-225/serine-229/glutamate-233-Mg2+B motif.
Arch.Biochem.Biophys., 469, 2008
5EDU
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BU of 5edu by Molmil
Crystal structure of human histone deacetylase 6 catalytic domain 2 in complex with trichostatin A
Descriptor: Maltose-binding periplasmic protein, Histone deacetylase 6 chimera, POTASSIUM ION, ...
Authors:Hai, Y, Christianson, D.W.
Deposit date:2015-10-22
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Histone deacetylase 6 structure and molecular basis of catalysis and inhibition.
Nat.Chem.Biol., 12, 2016
2PHA
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BU of 2pha by Molmil
Crystal structure of native, unliganded human arginase at 1.90 resolution
Descriptor: Arginase-1, MANGANESE (II) ION
Authors:Di Costanzo, L, Pique, M.E, Christianson, D.W.
Deposit date:2007-04-10
Release date:2007-05-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of human arginase I complexed with thiosemicarbazide reveals an unusual thiocarbonyl mu-sulfide ligand in the binuclear manganese cluster.
J.Am.Chem.Soc., 129, 2007
2PLL
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BU of 2pll by Molmil
Crystal structure of perdeuterated human arginase I
Descriptor: 2(S)-AMINO-6-BORONOHEXANOIC ACID, MANGANESE (II) ION, arginase-1
Authors:Di Costanzo, L, Moulin, M, Haertlein, M, Meilleur, F, Christianson, D.W.
Deposit date:2007-04-19
Release date:2007-08-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Expression, purification, assay, and crystal structure of perdeuterated human arginase I
Arch.Biochem.Biophys., 465, 2007
5DZ2
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BU of 5dz2 by Molmil
Geosmin synthase from Streptomyces coelicolor N-terminal domain complexed with three Mg2+ ions and alendronic acid
Descriptor: ALENDRONATE, Germacradienol/geosmin synthase, MAGNESIUM ION
Authors:Harris, G.G, Lombardi, P.M, Pemberton, T.A, Matsui, T, Weiss, T.M, Cole, K.E, Koksal, M, Murphy, F.V, Vedula, L.S, Chou, W.K.W, Cane, D.E, Christianson, D.W.
Deposit date:2015-09-25
Release date:2015-12-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.111 Å)
Cite:Structural Studies of Geosmin Synthase, a Bifunctional Sesquiterpene Synthase with alpha alpha Domain Architecture That Catalyzes a Unique Cyclization-Fragmentation Reaction Sequence.
Biochemistry, 54, 2015
5ERN
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BU of 5ern by Molmil
Crystal structure of elongation domain of Phomopsis amygdali fusicoccadiene synthase
Descriptor: Fusicoccadiene synthase
Authors:Chen, M, Christianson, D.W.
Deposit date:2015-11-14
Release date:2016-01-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.434 Å)
Cite:Structure and Function of Fusicoccadiene Synthase, a Hexameric Bifunctional Diterpene Synthase.
Acs Chem.Biol., 11, 2016
2PHO
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BU of 2pho by Molmil
Crystal structure of human arginase I complexed with thiosemicarbazide at 1.95 resolution
Descriptor: Arginase-1, HYDRAZINECARBOTHIOAMIDE, MANGANESE (II) ION
Authors:Di Costanzo, L, Christianson, D.W.
Deposit date:2007-04-11
Release date:2007-05-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of human arginase I complexed with thiosemicarbazide reveals an unusual thiocarbonyl mu-sulfide ligand in the binuclear manganese cluster.
J.Am.Chem.Soc., 129, 2007
5EFB
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BU of 5efb by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with oxamflatin
Descriptor: Hdac6 protein, Oxamflatin, POTASSIUM ION, ...
Authors:Hai, Y, Christianson, D.W.
Deposit date:2015-10-23
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.543 Å)
Cite:Histone deacetylase 6 structure and molecular basis of catalysis and inhibition.
Nat.Chem.Biol., 12, 2016
5ERM
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BU of 5erm by Molmil
Crystal structure of cyclization domain of Phomopsis amygdali fusicoccadiene synthase complexed with magnesium ions and pamidronate
Descriptor: CHLORIDE ION, Fusicoccadiene synthase, MAGNESIUM ION, ...
Authors:Chen, M, Christianson, D.W.
Deposit date:2015-11-14
Release date:2016-01-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.303 Å)
Cite:Structure and Function of Fusicoccadiene Synthase, a Hexameric Bifunctional Diterpene Synthase.
Acs Chem.Biol., 11, 2016
3LG5
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BU of 3lg5 by Molmil
F198A Epi-isozizaene synthase: Complex with Mg, inorganic pyrophosphate and benzyl triethyl ammonium cation
Descriptor: Epi-isozizaene synthase, MAGNESIUM ION, N-benzyl-N,N-diethylethanaminium, ...
Authors:Aaron, J.A, Lin, X, Cane, D.E, Christianson, D.W.
Deposit date:2010-01-19
Release date:2010-02-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.641 Å)
Cite:Structure of Epi-Isozizaene Synthase from Streptomyces coelicolor A3(2), a Platform for New Terpenoid Cyclization Templates
Biochemistry, 49, 2010
3LP4
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BU of 3lp4 by Molmil
Crystal structure of human arginase I in complex with L-LYSINE, 1.90A Resolution.
Descriptor: Arginase-1, LYSINE, MANGANESE (II) ION
Authors:Di Costanzo, L, Christianson, D.W.
Deposit date:2010-02-04
Release date:2010-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Inhibition of human arginase I by substrate and product analogues.
Arch.Biochem.Biophys., 496, 2010
3MFV
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BU of 3mfv by Molmil
Crystal structure of human arginase I in complex with 2-aminohomohistidine
Descriptor: (2S)-2-amino-4-(2-amino-1H-imidazol-5-yl)butanoic acid, Arginase-1, MANGANESE (II) ION
Authors:Di Costanzo, L, Christianson, D.W.
Deposit date:2010-04-04
Release date:2010-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:2-aminoimidazole amino acids as inhibitors of the binuclear manganese metalloenzyme human arginase I.
J.Med.Chem., 53, 2010
2Q9Z
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BU of 2q9z by Molmil
Trichodiene synthase: Complex with inorganic pyrophosphate resulting from the reaction with 2-fluorofarnesyl diphosphate
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, PYROPHOSPHATE 2-, ...
Authors:Vedula, L.S, Zhao, Y, Coates, R.M, Koyama, T, Cane, D.E, Christianson, D.W.
Deposit date:2007-06-14
Release date:2007-10-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Exploring biosynthetic diversity with trichodiene synthase.
Arch.Biochem.Biophys., 466, 2007
3MJL
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BU of 3mjl by Molmil
Crystal structure of human arginase I in complex with 2-aminoimidazole. Resolution 1.90 A.
Descriptor: 1H-imidazol-2-amine, Arginase-1, MANGANESE (II) ION
Authors:Di Costanzo, L, Christianson, D.W.
Deposit date:2010-04-13
Release date:2010-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of human arginase I in complex with 2-aminoimidazole. Resolution 1.90 A.
To be Published
2OA6
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BU of 2oa6 by Molmil
Aristolochene synthase from Aspergillus terreus complexed with pyrophosphate
Descriptor: Aristolochene synthase, BETA-MERCAPTOETHANOL, GLYCEROL, ...
Authors:Shishova, E.Y, Di Costanzo, L, Cane, D.E, Christianson, D.W.
Deposit date:2006-12-15
Release date:2007-01-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:X-ray crystal structure of aristolochene synthase from Aspergillus terreus and evolution of templates for the cyclization of farnesyl diphosphate
Biochemistry, 46, 2007
5EEK
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BU of 5eek by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with trichostatin A
Descriptor: 1,2-ETHANEDIOL, AMMONIUM ION, CHLORIDE ION, ...
Authors:Hai, Y, Christianson, D.W.
Deposit date:2015-10-23
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Histone deacetylase 6 structure and molecular basis of catalysis and inhibition.
Nat.Chem.Biol., 12, 2016

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