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4GOX
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BU of 4gox by Molmil
Sulfotransferase Domain from the Synechococcus PCC 7002 Olefin Synthase
分子名称: ADENOSINE-3'-5'-DIPHOSPHATE, Polyketide synthase
著者McCarthy, J.G, Smith, J.L.
登録日2012-08-20
公開日2012-10-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural basis of functional group activation by sulfotransferases in complex metabolic pathways.
Acs Chem.Biol., 7, 2012
3H76
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BU of 3h76 by Molmil
Crystal structure of PqsD, a key enzyme in Pseudomonas aeruginosa quinolone signal biosynthesis pathway
分子名称: PQS biosynthetic enzyme
著者Bera, A.K, Atanasova, V, Parsons, J.F.
登録日2009-04-24
公開日2009-09-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of PqsD, a Pseudomonas quinolone signal biosynthetic enzyme, in complex with anthranilate.
Biochemistry, 48, 2009
3QMO
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BU of 3qmo by Molmil
X-ray crystal structure of NS-398 bound to the cyclooxygenase channel of cyclooxygenase-2
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Vecchio, A.J, Malkowski, M.G.
登録日2011-02-04
公開日2011-08-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The structure of NS-398 bound to cyclooxygenase-2.
J.Struct.Biol., 176, 2011
8ET0
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BU of 8et0 by Molmil
Crystal Complex of murine Cyclooxygenase-2 with alpaca nanobody F9
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IBUPROFEN, ...
著者Xu, S, Banerjee, S, Uddin, M.J, Goodman, M.C, Marnett, L.J.
登録日2022-10-15
公開日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal complex of murine cycloxygenase-2 with alpaca nanobody F9
To Be Published
2W6N
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BU of 2w6n by Molmil
Crystal structure of Biotin carboxylase from E. coli in complex with amino-oxazole fragment series
分子名称: 2-AMINO-N,N-BIS(PHENYLMETHYL)-1,3-OXAZOLE-5-CARBOXAMIDE, BIOTIN CARBOXYLASE, CHLORIDE ION
著者Mochalkin, I, Miller, J.R.
登録日2008-12-18
公開日2009-05-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches.
Acs Chem.Biol., 4, 2009
6V3R
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BU of 6v3r by Molmil
Crystal structure of murine cycloxygenase in complex with a harmaline analog, 4,9-dihydro-3H-pyrido[3,4-b]indole
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 9-[(4-chlorophenyl)methyl]-6-methoxy-1-methyl-4,9-dihydro-3H-beta-carboline, ...
著者Xu, S, Uddin, M.J, Banerjee, S, Marnett, L.J.
登録日2019-11-26
公開日2020-02-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Harmaline Analogs as Substrate-Selective Cyclooxygenase-2 Inhibitors.
Acs Med.Chem.Lett., 11, 2020
4DDO
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BU of 4ddo by Molmil
Crystal structure of 3-oxoacyl-[acyl-carrier-protein] synthase ii from burkholderia vietnamiensis
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, SODIUM ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-01-19
公開日2012-05-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
7WUA
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BU of 7wua by Molmil
Crystal structures of FadD32 from Corynebacterium diphtheriae
分子名称: Acyl-CoA synthase, MAGNESIUM ION, MYRISTIC ACID, ...
著者Liu, X.
登録日2022-02-07
公開日2022-08-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.999 Å)
主引用文献Crystal structures of FadD32 and pks13-ACP domain from Corynebacterium diphtheriae
Biochem Biophys Res Commun, 590, 2022
4KTM
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BU of 4ktm by Molmil
Crystal Structure of C143S Xanthomonas campestris OleA
分子名称: 3-oxoacyl-[ACP] synthase III, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION
著者Goblirsch, B.R.
登録日2013-05-20
公開日2014-07-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Substrate Trapping in Crystals of the Thiolase OleA Identifies Three Channels That Enable Long Chain Olefin Biosynthesis.
J.Biol.Chem., 291, 2016
2V59
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BU of 2v59 by Molmil
CRYSTAL STRUCTURE OF BIOTIN CARBOXYLASE FROM E.COLI IN COMPLEX WITH POTENT INHIBITOR 2
分子名称: 6-(2,6-DIMETHOXYPHENYL)PYRIDO[2,3-D]PYRIMIDINE-2,7-DIAMINE, BIOTIN CARBOXYLASE
著者Mochalkin, I, Miller, J.R.
登録日2008-10-02
公開日2009-01-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A Class of Selective Antibacterials Derived from a Protein Kinase Inhibitor Pharmacophore.
Proc.Natl.Acad.Sci.USA, 106, 2009
2UUU
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BU of 2uuu by Molmil
alkyldihydroxyacetonephosphate synthase in P212121
分子名称: ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE, FLAVIN-ADENINE DINUCLEOTIDE, HEXADECAN-1-OL
著者Razeto, A, Mattiroli, F, Carpanelli, E, Aliverti, A, Pandini, V, Coda, A, Mattevi, A.
登録日2007-03-07
公開日2007-06-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The Crucial Step in Ether Phospholipid Biosynthesis: Structural Basis of a Noncanonical Reaction Associated with a Peroxisomal Disorder.
Structure, 15, 2007
2V58
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BU of 2v58 by Molmil
CRYSTAL STRUCTURE OF BIOTIN CARBOXYLASE FROM E.COLI IN COMPLEX WITH POTENT INHIBITOR 1
分子名称: 6-(2,6-dibromophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine, BIOTIN CARBOXYLASE, CHLORIDE ION
著者Mochalkin, I, Miller, J.R.
登録日2008-10-02
公開日2009-01-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A Class of Selective Antibacterials Derived from a Protein Kinase Inhibitor Pharmacophore.
Proc.Natl.Acad.Sci.USA, 106, 2009
2V5A
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BU of 2v5a by Molmil
CRYSTAL STRUCTURE OF BIOTIN CARBOXYLASE FROM E.COLI IN COMPLEX WITH POTENT INHIBITOR 3
分子名称: 7-(2,5-dihydropyrrol-1-yl)-6-phenyl-pyrido[6,5-d]pyrimidin-2-amine, BIOTIN CARBOXYLASE, CHLORIDE ION
著者Mochalkin, I, Miller, J.R.
登録日2008-10-02
公開日2009-01-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献A Class of Selective Antibacterials Derived from a Protein Kinase Inhibitor Pharmacophore.
Proc.Natl.Acad.Sci.USA, 106, 2009
2W6Z
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BU of 2w6z by Molmil
Crystal structure of Biotin carboxylase from E. coli in complex with the 3-(3-Methyl-but-2-enyl)-3H-purin-6-ylamine fragment
分子名称: 3-(3-methylbut-2-en-1-yl)-3H-purin-6-amine, BIOTIN CARBOXYLASE, CHLORIDE ION
著者Mochalkin, I, Miller, J.R.
登録日2008-12-19
公開日2009-05-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches.
Acs Chem.Biol., 4, 2009
2W6O
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BU of 2w6o by Molmil
Crystal structure of Biotin carboxylase from E. coli in complex with 4-Amino-7,7-dimethyl-7,8-dihydro-quinazolinone fragment
分子名称: 4-amino-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one, BIOTIN CARBOXYLASE, CHLORIDE ION
著者Mochalkin, I, Miller, J.R.
登録日2008-12-18
公開日2009-05-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches.
Acs Chem.Biol., 4, 2009
4KU2
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BU of 4ku2 by Molmil
Crystal Structure C143A from Xanthomonas campestris Bound with Myristoyl-CoA
分子名称: 3-oxoacyl-[ACP] synthase III, TETRADECANOYL-COA
著者Goblirsch, B.R.
登録日2013-05-21
公開日2014-07-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.974 Å)
主引用文献Substrate Trapping in Crystals of the Thiolase OleA Identifies Three Channels That Enable Long Chain Olefin Biosynthesis.
J.Biol.Chem., 291, 2016
2W6P
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BU of 2w6p by Molmil
Crystal structure of Biotin carboxylase from E. coli in complex with 5-Methyl-6-phenyl-quinazoline-2,4-diamine
分子名称: 5-methyl-6-phenylquinazoline-2,4-diamine, ACETYL-COA CARBOXYLASE
著者Mochalkin, I, Miller, J.R.
登録日2008-12-18
公開日2009-05-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches.
Acs Chem.Biol., 4, 2009
2W6M
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BU of 2w6m by Molmil
Crystal structure of Biotin carboxylase from E. coli in complex with amino-oxazole fragment series
分子名称: (2-AMINO-1,3-OXAZOL-5-YL)-(3-BROMOPHENYL)METHANONE, BIOTIN CARBOXYLASE, CHLORIDE ION
著者Mochalkin, I, Miller, J.R.
登録日2008-12-18
公開日2009-05-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches.
Acs Chem.Biol., 4, 2009
2UUV
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BU of 2uuv by Molmil
alkyldihydroxyacetonephosphate synthase in P1
分子名称: ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE, FLAVIN-ADENINE DINUCLEOTIDE, HEXADECAN-1-OL
著者Razeto, A, Mattiroli, F, Carpanelli, E, Aliverti, A, Pandini, V, Coda, A, Mattevi, A.
登録日2007-03-07
公開日2007-06-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献The Crucial Step in Ether Phospholipid Biosynthesis: Structural Basis of a Noncanonical Reaction Associated with a Peroxisomal Disorder.
Structure, 15, 2007
2W70
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BU of 2w70 by Molmil
Crystal structure of Biotin carboxylase from E. coli in complex with the amino-thiazole-pyrimidine fragment
分子名称: 4-(2-amino-1,3-thiazol-4-yl)pyrimidin-2-amine, BIOTIN CARBOXYLASE, CHLORIDE ION
著者Mochalkin, I, Miller, J.R.
登録日2008-12-19
公開日2009-05-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches.
Acs Chem.Biol., 4, 2009
2W6Q
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BU of 2w6q by Molmil
Crystal structure of Biotin carboxylase from E. coli in complex with the triazine-2,4-diamine fragment
分子名称: 6-(2-phenoxyethoxy)-1,3,5-triazine-2,4-diamine, BIOTIN CARBOXYLASE, CHLORIDE ION
著者Mochalkin, I, Miller, J.R.
登録日2008-12-18
公開日2009-05-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches.
Acs Chem.Biol., 4, 2009
2W71
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BU of 2w71 by Molmil
Crystal structure of Biotin carboxylase from E. coli in complex with the imidazole-pyrimidine inhibitor
分子名称: 4-[1-(2,6-dichlorobenzyl)-2-methyl-1H-imidazol-4-yl]pyrimidin-2-amine, BIOTIN CARBOXYLASE, CHLORIDE ION
著者Mochalkin, I, Miller, J.R.
登録日2008-12-19
公開日2009-05-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches.
Acs Chem.Biol., 4, 2009
4KTI
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BU of 4kti by Molmil
Crystal Structure of C143A Xathomonas campestris OleA
分子名称: 3-oxoacyl-[ACP] synthase III
著者Goblirsch, B.R.
登録日2013-05-20
公開日2014-07-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.839 Å)
主引用文献Substrate Trapping in Crystals of the Thiolase OleA Identifies Three Channels That Enable Long Chain Olefin Biosynthesis.
J.Biol.Chem., 291, 2016
4EWG
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BU of 4ewg by Molmil
Crystal structure of a Beta-ketoacyl synthase from Burkholderia phymatum STM815
分子名称: 1,2-ETHANEDIOL, Beta-ketoacyl synthase, CALCIUM ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-04-26
公開日2012-05-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
6SMO
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BU of 6smo by Molmil
AntDE:AntF (apo): type II PKS acyl-carrier protein in complex with its ketosynthase bound to the hexaketide
分子名称: 3,5,7,9,11-pentakis(oxidanylidene)dodecanal, Acyl carrier protein, Ketoacyl_synth_N domain-containing protein, ...
著者Braeuer, A, Zhou, Q, Grammbitter, G.L.C, Schmalhofer, M, Ruehl, M, Kaila, V.R.I, Bode, H, Groll, M.
登録日2019-08-22
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural snapshots of the minimal PKS system responsible for octaketide biosynthesis.
Nat.Chem., 12, 2020

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