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1OX6
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BU of 1ox6 by Molmil
TOWARDS UNDERSTANDING THE MECHANISM OF THE COMPLEX CYCLIZATION REACTION CATALYZED BY IMIDAZOLE GLYCEROPHOSPHATE SYNTHASE
Descriptor: Imidazole glycerol phosphate synthase hisHF, NICKEL (II) ION, PYROPHOSPHATE 2-, ...
Authors:Chaudhuri, B.N, Smith, J.L.
Deposit date:2003-04-01
Release date:2003-06-17
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Towards Understanding the Mechanism of the Complex Cyclization Reaction Catalyzed by Imidazole Glycerophosphate Synthase: Crystal Structures of a Ternary Complex and the Free Enzyme
Biochemistry, 42, 2003
2XCL
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BU of 2xcl by Molmil
Nucleotide-bound Structures of Bacillus subtilis Glycinamide Ribonucleotide Synthetase
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, PHOSPHORIBOSYLAMINE--GLYCINE LIGASE
Authors:Bertrand, J.A, Chen, S, Zalkin, H, Smith, J.L.
Deposit date:2010-04-23
Release date:2011-03-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Nucleotide-Bound Structures of Bacillus Subtilis Glycinamide Ribonucleotide Synthetase
To be Published
2XD4
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BU of 2xd4 by Molmil
Nucleotide-bound Structures of Bacillus subtilis Glycinamide Ribonucleotide Synthetase
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHORIBOSYLAMINE--GLYCINE LIGASE
Authors:Bertrand, J.A, Chen, S, Zalkin, H, Smith, J.L.
Deposit date:2010-04-29
Release date:2011-03-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Nucleotide-Bound Structures of Bacillus Subtilis Glycinamide Ribonucleotide Synthetase
To be Published
1RFS
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BU of 1rfs by Molmil
RIESKE SOLUBLE FRAGMENT FROM SPINACH
Descriptor: FE2/S2 (INORGANIC) CLUSTER, RIESKE PROTEIN
Authors:Carrell, C.J, Zhang, H, Cramer, W.A, Smith, J.L.
Deposit date:1997-08-14
Release date:1998-01-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Biological identity and diversity in photosynthesis and respiration: structure of the lumen-side domain of the chloroplast Rieske protein.
Structure, 5, 1997
5IOS
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BU of 5ios by Molmil
Flavin-dependent thymidylate synthase R90A variant in complex with FAD and deoxyuridine monophosphate
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, Thymidylate synthase ThyX
Authors:Bernard, S.M, Stull, F.W, Smith, J.L.
Deposit date:2016-03-08
Release date:2016-06-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Deprotonations in the Reaction of Flavin-Dependent Thymidylate Synthase.
Biochemistry, 55, 2016
5IOT
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BU of 5iot by Molmil
Flavin-dependent thymidylate synthase R174A variant in complex with FAD and dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, Thymidylate synthase ThyX
Authors:Bernard, S.M, Stull, F.W, Smith, J.L.
Deposit date:2016-03-08
Release date:2016-06-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Deprotonations in the Reaction of Flavin-Dependent Thymidylate Synthase.
Biochemistry, 55, 2016
6AL7
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BU of 6al7 by Molmil
Crystal structure HpiC1 F138S
Descriptor: 12-epi-hapalindole C/U synthase, CALCIUM ION
Authors:Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H.
Deposit date:2017-08-07
Release date:2018-03-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.687 Å)
Cite:Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis.
Nat. Chem. Biol., 14, 2018
6AL6
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BU of 6al6 by Molmil
Crystal structure HpiC1 in P42 space group
Descriptor: 12-epi-hapalindole C/U synthase, CALCIUM ION
Authors:Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H.
Deposit date:2017-08-07
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.088 Å)
Cite:Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis.
Nat. Chem. Biol., 14, 2018
6AL8
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BU of 6al8 by Molmil
Crystal structure HpiC1 Y101F/F138S
Descriptor: 1,2-ETHANEDIOL, 12-epi-hapalindole C/U synthase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H.
Deposit date:2017-08-07
Release date:2018-03-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.641 Å)
Cite:Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis.
Nat. Chem. Biol., 14, 2018
6BEV
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BU of 6bev by Molmil
Human Single Domain Sulfurtranferase TSTD1
Descriptor: Thiosulfate sulfurtransferase/rhodanese-like domain-containing protein 1
Authors:Motl, N, Akey, D.L, Smith, J.L, Banerjee, R.
Deposit date:2017-10-25
Release date:2018-01-24
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.043 Å)
Cite:Thiosulfate sulfurtransferase-like domain-containing 1 protein interacts with thioredoxin.
J. Biol. Chem., 293, 2018
6B3A
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BU of 6b3a by Molmil
AprA Methyltransferase 1 - GNAT didomain in complex with Mn2+ and SAM
Descriptor: AprA Methyltransferase 1, GLYCEROL, MANGANESE (II) ION, ...
Authors:Skiba, M.A, Smith, J.L.
Deposit date:2017-09-21
Release date:2017-11-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.784 Å)
Cite:A Mononuclear Iron-Dependent Methyltransferase Catalyzes Initial Steps in Assembly of the Apratoxin A Polyketide Starter Unit.
ACS Chem. Biol., 12, 2017
6B3B
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BU of 6b3b by Molmil
AprA Methyltransferase 1 - GNAT in complex with Mn2+ , SAM, and Malonate
Descriptor: AprA Methyltransferase 1, GLYCEROL, MALONATE ION, ...
Authors:Skiba, M.A, Smith, J.L.
Deposit date:2017-09-21
Release date:2017-11-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A Mononuclear Iron-Dependent Methyltransferase Catalyzes Initial Steps in Assembly of the Apratoxin A Polyketide Starter Unit.
ACS Chem. Biol., 12, 2017
6B39
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BU of 6b39 by Molmil
AprA Methyltransferase 1 - GNAT in complex with SAH
Descriptor: AprA Methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION
Authors:Skiba, M.A, Smith, J.L.
Deposit date:2017-09-21
Release date:2017-11-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.392 Å)
Cite:A Mononuclear Iron-Dependent Methyltransferase Catalyzes Initial Steps in Assembly of the Apratoxin A Polyketide Starter Unit.
ACS Chem. Biol., 12, 2017
6D5X
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BU of 6d5x by Molmil
Structure of Human ATP:Cobalamin Adenosyltransferase bound to ATP, Adenosylcobalamin, and Triphosphate
Descriptor: 5'-DEOXYADENOSINE, ADENOSINE-5'-TRIPHOSPHATE, COBALAMIN, ...
Authors:Dodge, G.J, Campanello, G, Smith, J.L, Banerjee, R.
Deposit date:2018-04-19
Release date:2018-10-10
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Sacrificial Cobalt-Carbon Bond Homolysis in Coenzyme B12as a Cofactor Conservation Strategy.
J. Am. Chem. Soc., 140, 2018
6D6Y
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BU of 6d6y by Molmil
AprA Methyltransferase 2 - GNAT didomain in complex with SAH
Descriptor: AprA Methyltransferase 2, S-ADENOSYL-L-HOMOCYSTEINE, trimethylamine oxide
Authors:Sikkema, A.P, Smith, J.L.
Deposit date:2018-04-23
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.246 Å)
Cite:Biosynthesis of t-Butyl in Apratoxin A: Functional Analysis and Architecture of a PKS Loading Module.
ACS Chem. Biol., 13, 2018
6D5K
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BU of 6d5k by Molmil
Structure of Human ATP:Cobalamin Adenosyltransferase bound to ATP, and Adenosylcobalamin
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-DEOXYADENOSINE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Dodge, G.J, Campanello, G, Smith, J.L, Banerjee, R.
Deposit date:2018-04-19
Release date:2018-10-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Sacrificial Cobalt-Carbon Bond Homolysis in Coenzyme B12as a Cofactor Conservation Strategy.
J. Am. Chem. Soc., 140, 2018
3H0L
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BU of 3h0l by Molmil
Structure of trna-dependent amidotransferase gatcab from aquifex aeolicus
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ASPARAGINE, Aspartyl/glutamyl-tRNA(Asn/Gln) amidotransferase subunit B, ...
Authors:Wu, J, Bu, W, Sheppard, K, Kitabatake, M, Soll, D, Smith, J.L.
Deposit date:2009-04-09
Release date:2009-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Insights into tRNA-Dependent Amidotransferase Evolution and Catalysis from the Structure of the Aquifex aeolicus Enzyme
J.Mol.Biol., 391, 2009
4XVZ
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BU of 4xvz by Molmil
MycF mycinamicin III 3'-O-methyltransferase in complex with Mg
Descriptor: CHLORIDE ION, MAGNESIUM ION, Mycinamicin III 3''-O-methyltransferase
Authors:Akey, D.L, Smith, J.L.
Deposit date:2015-01-28
Release date:2015-03-04
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structural Basis of Substrate Specificity and Regiochemistry in the MycF/TylF Family of Sugar O-Methyltransferases.
Acs Chem.Biol., 10, 2015
4XVY
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BU of 4xvy by Molmil
MycF mycinamicin III 3'-O-methyltransferase in complex with SAH
Descriptor: MAGNESIUM ION, Mycinamicin III 3''-O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Akey, D.L, Smith, J.L.
Deposit date:2015-01-28
Release date:2015-03-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Structural Basis of Substrate Specificity and Regiochemistry in the MycF/TylF Family of Sugar O-Methyltransferases.
Acs Chem.Biol., 10, 2015
1ECJ
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BU of 1ecj by Molmil
ESCHERICHIA COLI GLUTAMINE PHOSPHORIBOSYLPYROPHOSPHATE (PRPP) AMIDOTRANSFERASE COMPLEXED WITH 2 AMP PER TETRAMER
Descriptor: ADENOSINE MONOPHOSPHATE, GLUTAMINE PHOSPHORIBOSYLPYROPHOSPHATE AMIDOTRANSFERASE
Authors:Muchmore, C.R, Krahn, J.M, Smith, J.L.
Deposit date:1997-07-16
Release date:1998-04-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of glutamine phosphoribosylpyrophosphate amidotransferase from Escherichia coli.
Protein Sci., 7, 1998
4MYZ
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BU of 4myz by Molmil
Structure of a class 2 docking domain complex from modules CurK and CurL of the curacin A polyketide synthase
Descriptor: CurK, CurL fusion protein
Authors:Whicher, J.R, Smaga, S.S, Smith, J.L.
Deposit date:2013-09-28
Release date:2014-01-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Cyanobacterial polyketide synthase docking domains: a tool for engineering natural product biosynthesis.
Chem.Biol., 20, 2013
4MYY
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BU of 4myy by Molmil
Structure of a class 2 docking domain complex from modules CurG and CurH of the curacin A polyketide synthase
Descriptor: CurG, CurH fusion protein, SULFATE ION
Authors:Whicher, J.R, Smaga, S.S, Smith, J.L.
Deposit date:2013-09-28
Release date:2014-01-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Cyanobacterial polyketide synthase docking domains: a tool for engineering natural product biosynthesis.
Chem.Biol., 20, 2013
6VYA
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BU of 6vya by Molmil
Crystal structure of NotF in complex with brevianamide F and DMSPP
Descriptor: (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, DIMETHYLALLYL S-THIOLODIPHOSPHATE, Deoxybrevianamide E synthase notF
Authors:Dan, Q, Smith, J.L.
Deposit date:2020-02-25
Release date:2021-02-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3 Å)
Cite:Data Science-Driven Analysis of Substrate-Permissive Diketopiperazine Reverse Prenyltransferase NotF: Applications in Protein Engineering and Cascade Biocatalytic Synthesis of (-)-Eurotiumin A.
J.Am.Chem.Soc., 144, 2022
3IV9
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BU of 3iv9 by Molmil
Structure of the B12-dependent Methionine Synthase (MetH) C-teminal half in a "His-On" conformation
Descriptor: COBALAMIN, Methionine synthase
Authors:Pattridge, K.A, Koutmos, M, Smith, J.L.
Deposit date:2009-08-31
Release date:2009-11-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Insights into the reactivation of cobalamin-dependent methionine synthase.
Proc.Natl.Acad.Sci.USA, 106, 2009
4MZ0
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BU of 4mz0 by Molmil
Structure of a ketosynthase-acyltransferase di-domain from module CurL of the curacin A polyketide synthase
Descriptor: CALCIUM ION, CurL
Authors:Whicher, J.R, Smaga, S.S, Smith, J.L.
Deposit date:2013-09-28
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Cyanobacterial polyketide synthase docking domains: a tool for engineering natural product biosynthesis.
Chem.Biol., 20, 2013

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