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8V3K
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BU of 8v3k by Molmil
F95S-F198S epi-Isozizaene Synthase: complex with 3 Mg2+, inorganic pyrophosphate, and benzyl triethyl ammonium cation
Descriptor: DIPHOSPHATE, Epi-isozizaene synthase, GLYCEROL, ...
Authors:Christianson, D.W, Eaton, S.A.
Deposit date:2023-11-28
Release date:2024-01-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Structure-Based Engineering of a Sesquiterpene Cyclase to Generate an Alcohol Product: Conversion of epi -Isozizaene Synthase into alpha-Bisabolol Synthase.
Biochemistry, 63, 2024
2NMX
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BU of 2nmx by Molmil
Structure of inhibitor binding to Carbonic Anhydrase I
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 1, N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE, ...
Authors:Christianson, D.W, Jude, K.M.
Deposit date:2006-10-23
Release date:2007-04-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural Analysis of Charge Discrimination in the Binding of Inhibitors to Human Carbonic Anhydrases I and II
J.Am.Chem.Soc., 129, 2007
2NNV
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BU of 2nnv by Molmil
Structure of inhibitor binding to Carbonic Anhydrase II
Descriptor: Carbonic anhydrase 2, ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE, GLYCEROL, ...
Authors:Christianson, D.W, Jude, K.M.
Deposit date:2006-10-24
Release date:2007-05-08
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Structural Analysis of Charge Discrimination in the Binding of Inhibitors to Human Carbonic Anhydrases I and II.
J.Am.Chem.Soc., 129, 2007
2NN7
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BU of 2nn7 by Molmil
Structure of inhibitor binding to Carbonic Anhydrase I
Descriptor: Carbonic anhydrase 1, DIMETHYL SULFOXIDE, ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE, ...
Authors:Christianson, D.W, Jude, K.M.
Deposit date:2006-10-23
Release date:2007-05-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural Analysis of Charge Discrimination in the Binding of Inhibitors to Human Carbonic Anhydrases I and II.
J.Am.Chem.Soc., 129, 2007
2NNG
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BU of 2nng by Molmil
Structure of inhibitor binding to Carbonic Anhydrase II
Descriptor: 4-(2-AMINOETHYL)BENZENESULFONAMIDE, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Christianson, D.W, Jude, K.M.
Deposit date:2006-10-24
Release date:2007-05-08
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural Analysis of Charge Discrimination in the Binding of Inhibitors to Human Carbonic Anhydrases I and II.
J.Am.Chem.Soc., 129, 2007
2NNS
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BU of 2nns by Molmil
Structure of inhibitor binding to Carbonic Anhydrase II
Descriptor: CHLORIDE ION, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Christianson, D.W, Jude, K.M.
Deposit date:2006-10-24
Release date:2007-05-08
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:Structural Analysis of Charge Discrimination in the Binding of Inhibitors to Human Carbonic Anhydrases I and II.
J.Am.Chem.Soc., 129, 2007
2NN1
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BU of 2nn1 by Molmil
Structure of inhibitor binding to Carbonic Anhydrase I
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID, Carbonic anhydrase 1, ...
Authors:Christianson, D.W, Jude, K.M.
Deposit date:2006-10-23
Release date:2007-04-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural Analysis of Charge Discrimination in the Binding of Inhibitors to Human Carbonic Anhydrases I and II
J.Am.Chem.Soc., 129, 2007
2NNO
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BU of 2nno by Molmil
Structure of inhibitor binding to Carbonic Anhydrase II
Descriptor: 3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Christianson, D.W, Jude, K.M.
Deposit date:2006-10-24
Release date:2007-05-08
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:Structural Analysis of Charge Discrimination in the Binding of Inhibitors to Human Carbonic Anhydrases I and II.
J.Am.Chem.Soc., 129, 2007
6V0K
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BU of 6v0k by Molmil
Crystal structure of Penicillium verruculosum copalyl diphosphate synthase (PvCPS) alpha prenyltransferase domain
Descriptor: GLYCEROL, Terpene synthase
Authors:Christianson, D.W, Ronnebaum, T.A.
Deposit date:2019-11-18
Release date:2020-01-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Higher-order oligomerization of a chimeric alpha beta gamma bifunctional diterpene synthase with prenyltransferase and class II cyclase activities is concentration-dependent.
J.Struct.Biol., 210, 2020
9MQP
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BU of 9mqp by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with SelSA
Descriptor: 1,2-ETHANEDIOL, Hdac6 protein, N-phenyl-6-selanylhexanamide, ...
Authors:Goulart Stollmaier, J, Czarnecki, B.A.R, Christianson, D.W.
Deposit date:2025-01-04
Release date:2025-03-05
Last modified:2025-03-12
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Mechanism-Based Inhibition of Histone Deacetylase 6 by a Selenocyanate Is Subject to Redox Modulation.
J.Am.Chem.Soc., 147, 2025
6M7F
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BU of 6m7f by Molmil
Wild-type Cucumene Synthase
Descriptor: Cucumene Synthase
Authors:Blank, P.N, Pemberton, T.A, Christianson, D.W.
Deposit date:2018-08-20
Release date:2018-10-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.051 Å)
Cite:Crystal Structure of Cucumene Synthase, a Terpenoid Cyclase That Generates a Linear Triquinane Sesquiterpene.
Biochemistry, 57, 2018
5D1B
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BU of 5d1b by Molmil
Crystal structure of G117E HDAC8 in complex with TSA
Descriptor: Histone deacetylase 8, POTASSIUM ION, TRICHOSTATIN A, ...
Authors:Decroos, C, Christianson, N.H, Gullett, L.E, Bowman, C.M, Christianson, K.E, Deardorff, M.A, Christianson, D.W.
Deposit date:2015-08-04
Release date:2015-10-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Biochemical and Structural Characterization of HDAC8 Mutants Associated with Cornelia de Lange Syndrome Spectrum Disorders.
Biochemistry, 54, 2015
5D1D
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BU of 5d1d by Molmil
Crystal structure of P91L-Y306F HDAC8 in complex with a tetrapeptide substrate
Descriptor: HDAC8 Fluor de Lys tetrapeptide substrate, Histone deacetylase 8, POTASSIUM ION, ...
Authors:Decroos, C, Christianson, N.H, Gullett, L.E, Bowman, C.M, Christianson, K.E, Deardorff, M.A, Christianson, D.W.
Deposit date:2015-08-04
Release date:2015-10-21
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.011 Å)
Cite:Biochemical and Structural Characterization of HDAC8 Mutants Associated with Cornelia de Lange Syndrome Spectrum Disorders.
Biochemistry, 54, 2015
4LIX
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BU of 4lix by Molmil
Crystal structure of ent-copalyl diphosphate synthase from Arabidopsis thaliana in complex with (S)-15-aza-14,15-dihydrogeranylgeranyl thiolodiphosphate at 1.55 A resolution
Descriptor: Ent-copalyl diphosphate synthase, chloroplastic, GLYCEROL, ...
Authors:Koksal, M, Christianson, D.W.
Deposit date:2013-07-04
Release date:2013-10-02
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.548 Å)
Cite:1.55 angstrom -resolution structure of ent-copalyl diphosphate synthase and exploration of general acid function by site-directed mutagenesis.
Biochim.Biophys.Acta, 1840, 2013
3CMF
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BU of 3cmf by Molmil
Crystal structure of human liver 5beta-reductase (AKR1D1) in complex with NADP and CORTISONE. Resolution 1.90 A.
Descriptor: 17,21-DIHYDROXYPREGNA-1,4-DIENE-3,11,20-TRIONE, 3-oxo-5-beta-steroid 4-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Di Costanzo, L, Drury, J, Penning, T.M, Christianson, D.W.
Deposit date:2008-03-21
Release date:2008-04-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of Human Liver {Delta}4-3-Ketosteroid 5{beta}-Reductase (AKR1D1) and Implications for Substrate Binding and Catalysis.
J.Biol.Chem., 283, 2008
3CKE
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BU of 3cke by Molmil
Crystal structure of aristolochene synthase in complex with 12,13-difluorofarnesyl diphosphate
Descriptor: (2E,6E)-12-fluoro-11-(fluoromethyl)-3,7-dimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate, Aristolochene synthase, BETA-MERCAPTOETHANOL, ...
Authors:Shishova, E.Y, Yu, F, Miller, D.J, Faraldos, J.A, Zhao, Y, Coates, R.M, Allemann, R.K, Cane, D.E, Christianson, D.W.
Deposit date:2008-03-14
Release date:2008-04-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:X-ray Crystallographic Studies of Substrate Binding to Aristolochene Synthase Suggest a Metal Ion Binding Sequence for Catalysis.
J.Biol.Chem., 283, 2008
1KIZ
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BU of 1kiz by Molmil
D100E trichodiene synthase complexed with pyrophosphate
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, PYROPHOSPHATE 2-, ...
Authors:Rynkiewicz, M.J, Cane, D.E, Christianson, D.W.
Deposit date:2001-12-03
Release date:2002-03-13
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:X-ray crystal structures of D100E trichodiene synthase and its pyrophosphate complex reveal the basis for terpene product diversity.
Biochemistry, 41, 2002
3SL1
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BU of 3sl1 by Molmil
Crystal Structure of P. falciparum arginase complexed with 2-amino-6-borono-2-methylhexanoic acid
Descriptor: 6-(dihydroxyboranyl)-2-methyl-L-norleucine, Arginase, MANGANESE (II) ION
Authors:Dowling, D.P, Ilies, M, Christianson, D.W.
Deposit date:2011-06-23
Release date:2011-07-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.902 Å)
Cite:Binding of alpha , alpha-disubstituted amino acids to arginase suggests new avenues for inhibitor design.
J.Med.Chem., 54, 2011
3SL0
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BU of 3sl0 by Molmil
Crystal Structure of P. falciparum arginase complexed with 2-amino-6-borono-2-(difluoromethyl)hexanoic acid
Descriptor: 2-(difluoromethyl)-6-(dihydroxyboranyl)-L-norleucine, Arginase, MANGANESE (II) ION
Authors:Dowling, D.P, Ilies, M, Christianson, D.W.
Deposit date:2011-06-23
Release date:2011-07-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.997 Å)
Cite:Binding of alpha , alpha-disubstituted amino acids to arginase suggests new avenues for inhibitor design.
J.Med.Chem., 54, 2011
3SKK
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BU of 3skk by Molmil
Crystal structure of human arginase I in complex with the inhibitor FABH, Resolution 1.70 A, twinned structure
Descriptor: Arginase-1, MANGANESE (II) ION, [(5S)-5-amino-5-carboxy-6,6-difluorohexyl](trihydroxy)borate(1-)
Authors:Thorn, K.J, Di Costanzo, L, Christianson, D.W.
Deposit date:2011-06-22
Release date:2011-07-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:Binding of alpha , alpha-disubstituted amino acids to arginase suggests new avenues for inhibitor design.
J.Med.Chem., 54, 2011
8GD4
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BU of 8gd4 by Molmil
Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with DMFO Inhibitor 6
Descriptor: 2-(benzylamino)-N'-(difluoroacetyl)pyrimidine-5-carbohydrazide, Hdac6 protein, POTASSIUM ION, ...
Authors:Watson, P.R, Craigin, A.D, Christianson, D.W.
Deposit date:2023-03-03
Release date:2023-10-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Difluoromethyl-1,3,4-oxadiazoles Are Selective, Mechanism-Based, and Essentially Irreversible Inhibitors of Histone Deacetylase 6 .
J.Med.Chem., 66, 2023
8G1Z
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BU of 8g1z by Molmil
Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with inhibitor Mz317
Descriptor: 1,2-ETHANEDIOL, 4-(acetamidomethyl)-N-hydroxybenzamide, Hdac6 protein, ...
Authors:Tararina, M.A, Christianson, D.W.
Deposit date:2023-02-03
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Development of First-in-Class Dual Sirt2/HDAC6 Inhibitors as Molecular Tools for Dual Inhibition of Tubulin Deacetylation.
J.Med.Chem., 66, 2023
8G20
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BU of 8g20 by Molmil
Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with inhibitor Mz327
Descriptor: 1,2-ETHANEDIOL, 4-[(N-butylpentanamido)methyl]-N-hydroxybenzamide, ETHANOL, ...
Authors:Tararina, M.A, Christianson, D.W.
Deposit date:2023-02-03
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.766 Å)
Cite:Development of First-in-Class Dual Sirt2/HDAC6 Inhibitors as Molecular Tools for Dual Inhibition of Tubulin Deacetylation.
J.Med.Chem., 66, 2023
5DC5
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BU of 5dc5 by Molmil
Crystal structure of D176N HDAC8 in complex with M344
Descriptor: 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, POTASSIUM ION, ...
Authors:Decroos, C, Lee, M.S, Christianson, D.W.
Deposit date:2015-08-23
Release date:2016-02-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:General Base-General Acid Catalysis in Human Histone Deacetylase 8.
Biochemistry, 55, 2016
5DC6
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BU of 5dc6 by Molmil
Crystal structure of D176N-Y306F HDAC8 in complex with a tetrapeptide substrate
Descriptor: Fluor-de-Lys tetrapeptide assay substrate, GLYCEROL, Histone deacetylase 8, ...
Authors:Decroos, C, Lee, M.S, Christianson, D.W.
Deposit date:2015-08-23
Release date:2016-02-03
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.553 Å)
Cite:General Base-General Acid Catalysis in Human Histone Deacetylase 8.
Biochemistry, 55, 2016

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