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6PIA
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BU of 6pia by Molmil
Crystal structure of Marinobacter subterrani acetylpolyamine amidohydrolase (msAPAH) complexed with 6-[(3-aminopropyl)amino]-N-hydroxyhexanamide
分子名称: 1,2-ETHANEDIOL, 6-[(3-aminopropyl)amino]-N-hydroxyhexanamide, Acetylpolyamine amidohydrolase, ...
著者Osko, J.D, Christianson, D.W.
登録日2019-06-26
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure and Function of the Acetylpolyamine Amidohydrolase from the Deep Earth HalophileMarinobacter subterrani.
Biochemistry, 58, 2019
6PHR
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BU of 6phr by Molmil
Crystal structure of Marinobacter subterrani acetylpolyamine amidohydrolase (msAPAH) complexed with 5-[(3-aminopropyl)amino]pentane-1-thiol
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[(3-aminopropyl)amino]pentane-1-thiol, Acetylpolyamine amidohydrolase, ...
著者Osko, J.D, Christianson, D.W.
登録日2019-06-25
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure and Function of the Acetylpolyamine Amidohydrolase from the Deep Earth HalophileMarinobacter subterrani.
Biochemistry, 58, 2019
6PI1
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BU of 6pi1 by Molmil
Crystal structure of Marinobacter subterrani acetylpolyamine amidohydrolase (msAPAH) complexed with 4-(dimethylamino)-N-[7-hydroxyamino)-7-oxoheptyl]benzamide
分子名称: 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Acetylpolyamine amidohydrolase, MAGNESIUM ION, ...
著者Osko, J.D, Christianson, D.W.
登録日2019-06-25
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure and Function of the Acetylpolyamine Amidohydrolase from the Deep Earth HalophileMarinobacter subterrani.
Biochemistry, 58, 2019
6PIC
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BU of 6pic by Molmil
Crystal structure of Marinobacter subterrani acetylpolyamine amidohydrolase (msAPAH) complexed with 6-amino-N-hydroxyhexanamide
分子名称: 6-amino-N-hydroxyhexanamide, Acetylpolyamine Amidohydrolase, MAGNESIUM ION, ...
著者Osko, J.D, Christianson, D.W.
登録日2019-06-26
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.031 Å)
主引用文献Structure and Function of the Acetylpolyamine Amidohydrolase from the Deep Earth HalophileMarinobacter subterrani.
Biochemistry, 58, 2019
6PZS
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BU of 6pzs by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with JR005
分子名称: 4-[({[(1R,2R,5R)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl]methyl}amino)methyl]-N-hydroxybenzamide, CHLORIDE ION, Hdac6 protein, ...
著者Osko, J.D, Christianson, D.W.
登録日2019-08-01
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Exploring Structural Determinants of Inhibitor Affinity and Selectivity in Complexes with Histone Deacetylase 6.
J.Med.Chem., 63, 2020
6PYE
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BU of 6pye by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with NR160
分子名称: 1,2-ETHANEDIOL, Hdac6 protein, N-[(1-benzyl-1H-tetrazol-5-yl)methyl]-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-2-(trifluoromethyl)benzamide, ...
著者Osko, J.D, Christianson, D.W.
登録日2019-07-29
公開日2020-07-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.480003 Å)
主引用文献Multicomponent Synthesis, Binding Mode, and Structure-Activity Relationship of Selective Histone Deacetylase 6 (HDAC6) Inhibitors with Bifurcated Capping Groups.
J.Med.Chem., 63, 2020
6PZR
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BU of 6pzr by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with Resminostat
分子名称: 1,2-ETHANEDIOL, Hdac6 protein, IODIDE ION, ...
著者Osko, J.D, Christianson, D.W.
登録日2019-08-01
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Exploring Structural Determinants of Inhibitor Affinity and Selectivity in Complexes with Histone Deacetylase 6.
J.Med.Chem., 63, 2020
6Q0Z
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BU of 6q0z by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with JS28
分子名称: 2-(4-bromophenyl)-N-hydroxy-1,3-oxazole-4-carboxamide, Hdac6 protein, POTASSIUM ION, ...
著者Osko, J.D, Christianson, D.W.
登録日2019-08-02
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Exploring Structural Determinants of Inhibitor Affinity and Selectivity in Complexes with Histone Deacetylase 6.
J.Med.Chem., 63, 2020
2FOQ
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BU of 2foq by Molmil
Human Carbonic Anhydrase II complexed with two-prong inhibitors
分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION, ...
著者Jude, K.M, Christianson, D.W.
登録日2006-01-13
公開日2006-02-28
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Ultrahigh resolution crystal structures of human carbonic anhydrases I and II complexed with two-prong inhibitors reveal the molecular basis of high affinity.
J.Am.Chem.Soc., 128, 2006
2FOU
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BU of 2fou by Molmil
Human Carbonic Anhydrase II complexed with two-prong inhibitors
分子名称: COPPER (II) ION, Carbonic Anhydrase II, GLYCEROL, ...
著者Jude, K.M, Christianson, D.W.
登録日2006-01-14
公開日2006-04-04
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (0.99 Å)
主引用文献Ultrahigh resolution crystal structures of human carbonic anhydrases I and II complexed with two-prong inhibitors reveal the molecular basis of high affinity.
J.Am.Chem.Soc., 128, 2006
2FOV
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BU of 2fov by Molmil
Human Carbonic Anhydrase II complexed with two-prong inhibitors
分子名称: ACETONITRILE, COPPER (II) ION, Carbonic Anhydrase II, ...
著者Jude, K.M, Christianson, D.W.
登録日2006-01-14
公開日2006-04-04
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Ultrahigh resolution crystal structures of human carbonic anhydrases I and II complexed with two-prong inhibitors reveal the molecular basis of high affinity.
J.Am.Chem.Soc., 128, 2006
6PZO
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BU of 6pzo by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with YX-153
分子名称: Hdac6 protein, N-{[4-(hydroxycarbamoyl)phenyl]methyl}-2-(trifluoromethyl)pyridine-3-carboxamide, POTASSIUM ION, ...
著者Osko, J.D, Christianson, D.W.
登録日2019-08-01
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Exploring Structural Determinants of Inhibitor Affinity and Selectivity in Complexes with Histone Deacetylase 6.
J.Med.Chem., 63, 2020
6PZU
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BU of 6pzu by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with AP-1-62-A
分子名称: Hdac6 protein, N-[(benzyloxy)carbonyl]-L-leucyl-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-L-alaninamide, POTASSIUM ION, ...
著者Osko, J.D, Christianson, D.W.
登録日2019-08-01
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Exploring Structural Determinants of Inhibitor Affinity and Selectivity in Complexes with Histone Deacetylase 6.
J.Med.Chem., 63, 2020
2FOY
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BU of 2foy by Molmil
Human Carbonic Anhydrase I complexed with a two-prong inhibitor
分子名称: Carbonic anhydrase 1, ZINC ION, {2,2'-[(2-{[4-(AMINOSULFONYL)BENZOYL]AMINO}ETHYL)IMINO]DIACETATO(2-)-KAPPAO}COPPER
著者Jude, K.M, Banerjee, A.L, Haldar, M.K, Manokaran, S, Roy, B, Mallik, S, Srivastava, D.K, Christianson, D.W.
登録日2006-01-14
公開日2006-04-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Ultrahigh resolution crystal structures of human carbonic anhydrases I and II complexed with two-prong inhibitors reveal the molecular basis of high affinity.
J.Am.Chem.Soc., 128, 2006
2FOS
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BU of 2fos by Molmil
Human Carbonic Anhydrase II complexed with two-prong inhibitors
分子名称: COPPER (II) ION, Carbonic Anhydrase II, ZINC ION, ...
著者Jude, K.M, Christianson, D.W.
登録日2006-01-13
公開日2006-04-04
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Ultrahigh resolution crystal structures of human carbonic anhydrases I and II complexed with two-prong inhibitors reveal the molecular basis of high affinity.
J.Am.Chem.Soc., 128, 2006
6OS6
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BU of 6os6 by Molmil
Crystal structure of CymD prenyltransferase complexed with L-tryptophan and DMSPP
分子名称: BENZOIC ACID, CHLORIDE ION, CymD prenyltransferase, ...
著者Roose, B.W, Christianson, D.W.
登録日2019-05-01
公開日2019-07-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Structural Basis of Tryptophan Reverse N-Prenylation Catalyzed by CymD.
Biochemistry, 58, 2019
6OFV
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BU of 6ofv by Molmil
F95Q Epi-isozizaene synthase
分子名称: Epi-isozizaene synthase, GLYCEROL, MAGNESIUM ION, ...
著者Blank, P.N, Christianson, D.W.
登録日2019-04-01
公開日2019-06-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Crystal structure of F95Q epi-isozizaene synthase, an engineered sesquiterpene cyclase that generates biofuel precursors beta- and gamma-curcumene.
J.Struct.Biol., 207, 2019
6OS5
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BU of 6os5 by Molmil
Crystal structure of CymD prenyltransferase complexed with L-tryptophan
分子名称: BENZOIC ACID, CymD prenyltransferase, DIPHOSPHATE, ...
著者Roose, B.W, Christianson, D.W.
登録日2019-05-01
公開日2019-07-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Structural Basis of Tryptophan Reverse N-Prenylation Catalyzed by CymD.
Biochemistry, 58, 2019
2GO3
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BU of 2go3 by Molmil
Crystal structure of Aquifex aeolicus LpxC complexed with imidazole.
分子名称: CHLORIDE ION, GLYCEROL, IMIDAZOLE, ...
著者Gennadios, H.A, Whittington, D.A, Li, X, Fierke, C.A, Christianson, D.W.
登録日2006-04-12
公開日2006-07-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mechanistic Inferences from the Binding of Ligands to LpxC, a Metal-Dependent Deacetylase
Biochemistry, 45, 2006
2GO4
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BU of 2go4 by Molmil
Crystal structure of Aquifex aeolicus LpxC complexed with TU-514
分子名称: 1,5-ANHYDRO-2-C-(CARBOXYMETHYL-N-HYDROXYAMIDE)-2-DEOXY-3-O-MYRISTOYL-D-GLUCITOL, CHLORIDE ION, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ...
著者Gennadios, H.A, Whittington, D.A, Li, X, Fierke, C.A, Christianson, D.W.
登録日2006-04-12
公開日2006-07-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Mechanistic Inferences from the Binding of Ligands to LpxC, a Metal-Dependent Deacetylase
Biochemistry, 45, 2006
2E4O
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BU of 2e4o by Molmil
X-ray Crystal Structure of Aristolochene Synthase from Aspergillus terreus and the Evolution of Templates for the Cyclization of Farnesyl Diphosphate
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Aristolochene synthase, BETA-MERCAPTOETHANOL, ...
著者Shishova, E.Y, Di Costanzo, L, Cane, D.E, Christianson, D.W.
登録日2006-12-15
公開日2007-01-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献X-ray crystal structure of aristolochene synthase from Aspergillus terreus and evolution of templates for the cyclization of farnesyl diphosphate.
Biochemistry, 46, 2007
2H4N
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BU of 2h4n by Molmil
H94N CARBONIC ANHYDRASE II COMPLEXED WITH ACETAZOLAMIDE
分子名称: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, CARBONIC ANHYDRASE II, ZINC ION
著者Lesburg, C.A, Christianson, D.W.
登録日1997-05-29
公開日1997-09-17
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Histidine --> carboxamide ligand substitutions in the zinc binding site of carbonic anhydrase II alter metal coordination geometry but retain catalytic activity.
Biochemistry, 36, 1997
2HG2
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BU of 2hg2 by Molmil
Structure of Lactaldehyde Dehydrogenase
分子名称: Aldehyde dehydrogenase A, SULFATE ION
著者Di Costanzo, L, Gomez, G.A, Christianson, D.W.
登録日2006-06-26
公開日2007-05-08
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of lactaldehyde dehydrogenase from Escherichia coli and inferences regarding substrate and cofactor specificity
J.Mol.Biol., 366, 2007
1YHC
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BU of 1yhc by Molmil
Crystal structure of Aquifex aeolicus LpxC deacetylase complexed with cacodylate
分子名称: CACODYLATE ION, CHLORIDE ION, GLYCEROL, ...
著者Hernick, M, Gennadios, H.A, Whittington, D.A, Rusche, K.M, Christianson, D.W, Fierke, C.A.
登録日2005-01-07
公開日2005-02-15
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献UDP-3-O-((R)-3-hydroxymyristoyl)-N-acetylglucosamine Deacetylase Functions through a General Acid-Base Catalyst Pair Mechanism
J.Biol.Chem., 280, 2005
1YH8
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BU of 1yh8 by Molmil
Crystal structure of Aquifex aeolicus LpxC deacetylase complexed with palmitate
分子名称: CHLORIDE ION, PALMITOLEIC ACID, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ...
著者Hernick, M, Gennadios, H.A, Whittington, D.A, Rusche, K.M, Christianson, D.W, Fierke, C.A.
登録日2005-01-07
公開日2005-02-15
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献UDP-3-O-((R)-3-hydroxymyristoyl)-N-acetylglucosamine Deacetylase Functions through a General Acid-Base Catalyst Pair Mechanism
J.Biol.Chem., 280, 2005

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