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3U1T
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BU of 3u1t by Molmil
Haloalkane Dehalogenase, DmmA, of marine microbial origin
Descriptor: CHLORIDE ION, DmmA Haloalkane Dehalogenase, MALONATE ION
Authors:Gehret, J.J, Smith, J.L.
Deposit date:2011-09-30
Release date:2011-12-28
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and activity of DmmA, a marine haloalkane dehalogenase.
Protein Sci., 21, 2012
3V7I
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BU of 3v7i by Molmil
Germicidin synthase (Gcs) from Streptomyces coelicolor, a type III polyketide synthase
Descriptor: Putative polyketide synthase
Authors:Akey, D.L, Smith, J.L, Geders, T.W.
Deposit date:2011-12-21
Release date:2012-04-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Biochemical and Structural Characterization of Germicidin Synthase: Analysis of a Type III Polyketide Synthase That Employs Acyl-ACP as a Starter Unit Donor.
J.Am.Chem.Soc., 134, 2012
6MBG
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BU of 6mbg by Molmil
GphF Dehydratase P1711L variant for improved crystallization
Descriptor: 1,4-BUTANEDIOL, GphF, MAGNESIUM ION
Authors:Dodge, G.J, Smith, J.L.
Deposit date:2018-08-29
Release date:2018-09-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.852 Å)
Cite:Molecular Basis for Olefin Rearrangement in the Gephyronic Acid Polyketide Synthase.
ACS Chem. Biol., 13, 2018
6MBF
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BU of 6mbf by Molmil
GphF Dehydratase 1
Descriptor: GphF Dehydratase 1, MAGNESIUM ION
Authors:Dodge, G.J, Smith, J.L.
Deposit date:2018-08-29
Release date:2018-09-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.543 Å)
Cite:Molecular Basis for Olefin Rearrangement in the Gephyronic Acid Polyketide Synthase.
ACS Chem. Biol., 13, 2018
6MBH
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BU of 6mbh by Molmil
GphF DH1 P1711L, L1744P variant: An isomerase-inactive variant of GphF DH1
Descriptor: GphF Dehydratase 1
Authors:Dodge, G.J, Smith, J.L.
Deposit date:2018-08-29
Release date:2018-09-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Molecular Basis for Olefin Rearrangement in the Gephyronic Acid Polyketide Synthase.
ACS Chem. Biol., 13, 2018
1HCZ
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BU of 1hcz by Molmil
LUMEN-SIDE DOMAIN OF REDUCED CYTOCHROME F AT-35 DEGREES CELSIUS
Descriptor: CYTOCHROME F, PROTOPORPHYRIN IX CONTAINING FE
Authors:Martinez, S.E, Huang, D, Szczepaniak, A, Cramer, W.A, Smith, J.L.
Deposit date:1996-09-18
Release date:1997-03-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:The heme redox center of chloroplast cytochrome f is linked to a buried five-water chain.
Protein Sci., 5, 1996
6MFD
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BU of 6mfd by Molmil
GphF GNAT-like decarboxylase in complex with isobutyryl-CoA
Descriptor: ACETATE ION, GLYCEROL, GphF, ...
Authors:Skiba, M.A, Tran, C.L, Smith, J.L.
Deposit date:2018-09-10
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.794 Å)
Cite:Repurposing the GNAT Fold in the Initiation of Polyketide Biosynthesis.
Structure, 28, 2020
3QIT
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BU of 3qit by Molmil
Thioesterase Domain From Curacin Biosynthetic Pathway
Descriptor: Polyketide synthase
Authors:Gehret, J.J, Smith, J.L.
Deposit date:2011-01-27
Release date:2011-03-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Terminal Alkene Formation by the Thioesterase of Curacin A Biosynthesis: STRUCTURE OF A DECARBOXYLATING THIOESTERASE.
J.Biol.Chem., 286, 2011
6MFC
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BU of 6mfc by Molmil
GphF GNAT-like decarboxylase
Descriptor: GLYCEROL, GphF, PENTAETHYLENE GLYCOL
Authors:Skiba, M.A, Tran, C.L, Smith, J.L.
Deposit date:2018-09-10
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.589 Å)
Cite:Repurposing the GNAT Fold in the Initiation of Polyketide Biosynthesis.
Structure, 28, 2020
1XZN
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BU of 1xzn by Molmil
PYRR, THE REGULATOR OF THE PYRIMIDINE BIOSYNTHETIC OPERON IN BACILLUS CALDOLYTICUS, sulfate-bound form
Descriptor: MAGNESIUM ION, PyrR bifunctional protein, SULFATE ION
Authors:Chander, P, Halbig, K.M, Miller, J.K, Fields, C.J, Bonner, H.K, Grabner, G.K, Switzer, R.L, Smith, J.L.
Deposit date:2004-11-12
Release date:2005-03-01
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structure of the Nucleotide Complex of PyrR, the pyr Attenuation Protein from Bacillus caldolyticus, Suggests Dual Regulation by Pyrimidine and Purine Nucleotides.
J.Bacteriol., 187, 2005
1XZ8
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BU of 1xz8 by Molmil
Pyrr, The Regulator Of The Pyrimidine Biosynthetic Operon In Bacillus caldolyticus, Nucleotide-bound form
Descriptor: GUANOSINE-3'-MONOPHOSPHATE, GUANOSINE-5'-MONOPHOSPHATE, MAGNESIUM ION, ...
Authors:Chander, P, Halbig, K.M, Miller, J.K, Fields, C.J, Bonner, H.K, Grabner, G.K, Switzer, R.L, Smith, J.L.
Deposit date:2004-11-11
Release date:2005-03-01
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of the Nucleotide Complex of PyrR, the pyr Attenuation Protein from Bacillus caldolyticus, Suggests Dual Regulation by Pyrimidine and Purine Nucleotides.
J.Bacteriol., 187, 2005
6NES
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BU of 6nes by Molmil
FAD-dependent monooxygenase TropB from T. stipitatus
Descriptor: CHLORIDE ION, FAD-dependent monooxygenase tropB, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Rodriguez Benitez, A, Tweedy, S.E, Baker Dockrey, S.A, Lukowski, A.L, Wymore, T, Khare, D, Brooks, C.L, Palfey, B.A, Smith, J.L, Narayan, A.R.H.
Deposit date:2018-12-18
Release date:2019-08-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis for selectivity in flavin-dependent monooxygenase-catalyzed oxidative dearomatization.
Acs Catalysis, 9, 2019
6NKH
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BU of 6nkh by Molmil
Structure of MalC Reductase/Diels-Alderase from Malbranchea aurantiaca
Descriptor: Short chain dehydrogenase
Authors:Dan, Q, Newmister, S.A, Smith, J.L, Sherman, D.H.
Deposit date:2019-01-07
Release date:2019-10-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fungal indole alkaloid biogenesis through evolution of a bifunctional reductase/Diels-Alderase.
Nat.Chem., 11, 2019
1YKS
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BU of 1yks by Molmil
Crystal structure of yellow fever virus NS3 helicase
Descriptor: Genome polyprotein [contains: Flavivirin protease NS3 catalytic subunit]
Authors:Wu, J, Bera, A.K, Kuhn, R.J, Smith, J.L.
Deposit date:2005-01-18
Release date:2005-08-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of the flavivirus helicase: implications for catalytic activity, protein interactions, and proteolytic processing.
J.Virol., 79, 2005
6NET
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BU of 6net by Molmil
FAD-dependent monooxygenase TropB from T. stipitatus substrate complex
Descriptor: 2,4-dihydroxy-3,6-dimethylbenzaldehyde, CHLORIDE ION, FAD-dependent monooxygenase tropB, ...
Authors:Rodriguez Benitez, A, Tweedy, S.E, Baker Dockrey, S.A, Lukowski, A.L, Wymore, T, Khare, D, Brooks, C.L, Palfey, B.A, Smith, J.L, Narayan, A.R.H.
Deposit date:2018-12-18
Release date:2019-08-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural basis for selectivity in flavin-dependent monooxygenase-catalyzed oxidative dearomatization.
Acs Catalysis, 9, 2019
6NKK
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BU of 6nkk by Molmil
Structure of PhqE Reductase/Diels-Alderase from Penicillium fellutanum in complex with NADP+ and premalbrancheamide
Descriptor: (5aS,12aS,13aS)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short chain dehydrogenase
Authors:Newmister, S.A, Dan, Q, Smith, J.L, Sherman, D.H.
Deposit date:2019-01-07
Release date:2019-10-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.299 Å)
Cite:Fungal indole alkaloid biogenesis through evolution of a bifunctional reductase/Diels-Alderase.
Nat.Chem., 11, 2019
6NKI
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BU of 6nki by Molmil
Structure of PhqB Reductase Domain from Penicillium fellutanum
Descriptor: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NRPS
Authors:Dan, Q, Newmister, S.A, Smith, J.L, Sherman, D.H.
Deposit date:2019-01-07
Release date:2019-10-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Fungal indole alkaloid biogenesis through evolution of a bifunctional reductase/Diels-Alderase.
Nat.Chem., 11, 2019
6NEU
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BU of 6neu by Molmil
FAD-dependent monooxygenase TropB from T. stipitatus R206Q variant
Descriptor: CHLORIDE ION, FAD-dependent monooxygenase tropB, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Rodriguez Benitez, A, Tweedy, S.E, Baker Dockrey, S.A, Lukowski, A.L, Wymore, T, Khare, D, Brooks, C.L, Palfey, B.A, Smith, J.L, Narayan, A.R.H.
Deposit date:2018-12-18
Release date:2019-08-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for selectivity in flavin-dependent monooxygenase-catalyzed oxidative dearomatization.
Acs Catalysis, 9, 2019
6NKM
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BU of 6nkm by Molmil
Structure of PhqE D166N Reductase/Diels-Alderase from Penicillium fellutanum in complex with NADP+ and substrate
Descriptor: 3-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl}-8H-pyrrolo[1,2-a]pyrazin-5-ium-1-olate, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short chain dehydrogenase
Authors:Newmister, S.A, Dan, Q, Smith, J.L, Sherman, D.H.
Deposit date:2019-01-07
Release date:2019-10-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.896 Å)
Cite:Fungal indole alkaloid biogenesis through evolution of a bifunctional reductase/Diels-Alderase.
Nat.Chem., 11, 2019
6NEV
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BU of 6nev by Molmil
FAD-dependent monooxygenase TropB from T. stipitatus Y239F Variant
Descriptor: CHLORIDE ION, FAD-dependent monooxygenase tropB, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Rodriguez Benitez, A, Tweedy, S.E, Baker Dockrey, S.A, Lukowski, A.L, Wymore, T, Khare, D, Palfey, B.A, Smith, J.L, Narayan, A.R.H.
Deposit date:2018-12-18
Release date:2019-08-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.303 Å)
Cite:Structural basis for selectivity in flavin-dependent monooxygenase-catalyzed oxidative dearomatization.
Acs Catalysis, 9, 2019
1ZNN
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BU of 1znn by Molmil
Structure of the synthase subunit of PLP synthase
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, PLP SYNTHASE, SULFATE ION
Authors:Zhu, J, Burgner, J.W, Harms, E, Belitsky, B.R, Smith, J.L.
Deposit date:2005-05-11
Release date:2005-05-24
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A New Arrangement of (beta/alpha)8 Barrels in the Synthase Subunit of PLP Synthase.
J.Biol.Chem., 280, 2005
1ZLY
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BU of 1zly by Molmil
The structure of human glycinamide ribonucleotide transformylase in complex with alpha,beta-N-(hydroxyacetyl)-D-ribofuranosylamine and 10-formyl-5,8,dideazafolate
Descriptor: 4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID, 5-O-phosphono-beta-D-ribofuranosylamine, Phosphoribosylglycinamide formyltransferase
Authors:Dahms, T.E.S, Sainz, G, Giroux, E.L, Caperelli, C.A, Smith, J.L.
Deposit date:2005-05-09
Release date:2005-08-23
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:The apo and ternary complex structures of a chemotherapeutic target: human glycinamide ribonucleotide transformylase.
Biochemistry, 44, 2005
1ZLX
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BU of 1zlx by Molmil
The apo structure of human glycinamide ribonucleotide transformylase
Descriptor: GLYCEROL, Phosphoribosylglycinamide formyltransferase
Authors:Dahms, T.E, Sainz, G, Giroux, E.L, Caperelli, C.A, Smith, J.L.
Deposit date:2005-05-09
Release date:2005-08-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The apo and ternary complex structures of a chemotherapeutic target: human glycinamide ribonucleotide transformylase.
Biochemistry, 44, 2005
5DOZ
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BU of 5doz by Molmil
Crystal structure of JamJ enoyl reductase (NADPH bound)
Descriptor: ACETATE ION, JamJ, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Khare, D, Smith, J.L.
Deposit date:2015-09-11
Release date:2015-11-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structural Basis for Cyclopropanation by a Unique Enoyl-Acyl Carrier Protein Reductase.
Structure, 23, 2015
5DOV
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BU of 5dov by Molmil
Crystal structure of JamJ enoyl reductase (apo form)
Descriptor: GLYCEROL, JamJ
Authors:Khare, D, Smith, J.L.
Deposit date:2015-09-11
Release date:2015-11-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Basis for Cyclopropanation by a Unique Enoyl-Acyl Carrier Protein Reductase.
Structure, 23, 2015

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