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2VET
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BU of 2vet by Molmil
CRYSTAL STRUCTURE OF THE THYMIDYLATE SYNTHASE K48Q COMPLEXED WITH DUMP
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
著者Sotelo-Mundo, R.R, Arreola, R, Maley, F, Montfort, W.R.
登録日2007-10-26
公開日2007-12-04
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Role of an Invariant Lysine Residue in Folate Binding on Escherichia Coli Thymidylate Synthase: Calorimetric and Crystallographic Analysis of the K48Q Mutant.
Int.J.Biochem.Cell Biol., 40, 2008
4RYP
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Crystal Structure of T. Brucei Farnesyl Diphosphate Synthase
分子名称: Farnesyl pyrophosphate synthase
著者Cao, R, Liu, Y.-L, Oldfield, E.
登録日2014-12-16
公開日2015-04-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Farnesyl diphosphate synthase inhibitors with unique ligand-binding geometries.
ACS Med Chem Lett, 6, 2015
7ZCU
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PucA-LH2 complex from Rps. palustris
分子名称: 1,2-Dihydro-psi,psi-caroten-1-ol, BACTERIOCHLOROPHYLL A, Light-harvesting protein B-800-850 alpha chain, ...
著者Qian, P, Cogdell, R.J.
登録日2022-03-28
公開日2022-10-12
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Cryo-EM structures of light-harvesting 2 complexes from Rhodopseudomonas palustris reveal the molecular origin of absorption tuning.
Proc.Natl.Acad.Sci.USA, 119, 2022
2VAT
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BU of 2vat by Molmil
Crystal structure of deacetylcephalosporin C acetyltransferase in complex with coenzyme A
分子名称: ACETATE ION, ACETYL-COA--DEACETYLCEPHALOSPORIN C ACETYLTRANSFERASE, COENZYME A, ...
著者Lejon, S, Ellis, J, Valegard, K.
登録日2007-09-04
公開日2008-09-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Last Step in Cephalosporin C Formation Revealed: Crystal Structures of Deacetylcephalosporin C Acetyltransferase from Acremonium Chrysogenum in Complexes with Reaction Intermediates.
J.Mol.Biol., 377, 2008
2VG3
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Rv2361 with citronellyl pyrophosphate
分子名称: CHLORIDE ION, GERANYL DIPHOSPHATE, GLYCEROL, ...
著者Naismith, J.H, Wang, W, Dong, C.
登録日2007-11-08
公開日2008-05-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The structural basis of chain length control in Rv1086.
J. Mol. Biol., 381, 2008
2VF6
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Human FDPS synthase in complex with minodronate
分子名称: (1-HYDROXY-2-IMIDAZO[1,2-A]PYRIDIN-3-YLETHANE-1,1-DIYL)BIS(PHOSPHONIC ACID), FARNESYL PYROPHOSPHATE SYNTHETASE, MAGNESIUM ION
著者Evdokimov, A.G, Barnett, B.L, Ebetino, F.H, Pokross, M.
登録日2007-10-31
公開日2007-11-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Human Fdps Synthase in Complex with Novel Inhibitor
To be Published
6BXL
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BU of 6bxl by Molmil
Crystal structure of Pyrococcus horikoshii Dph2 with 4Fe-4S cluster and SAM
分子名称: 2-(3-amino-3-carboxypropyl)histidine synthase, IRON/SULFUR CLUSTER, S-ADENOSYLMETHIONINE
著者Torelli, A.T, Fenwick, M.K, Zhang, Y, Dong, M, Kathiresan, V, Carantoa, J.D, Dzikovski, B, Lancaster, K.M, Freed, J.H, Hoffman, B.M, Lin, H, Ealick, S.E.
登録日2017-12-18
公開日2018-04-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Organometallic and radical intermediates reveal mechanism of diphthamide biosynthesis.
Science, 359, 2018
7B3A
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Crystal structure of PamZ
分子名称: ACETATE ION, ACETYL COENZYME *A, CHLORIDE ION, ...
著者Loll, B, Dang, T, Mainz, A, Suessmuth, R, Wahl, M.C.
登録日2020-11-30
公開日2021-11-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Molecular basis of antibiotic self-resistance in a bee larvae pathogen.
Nat Commun, 13, 2022
4TN0
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Crystal Structure of the C-terminal Periplasmic Domain of Phosphoethanolamine Transferase EptC from Campylobacter jejuni
分子名称: UPF0141 protein yjdB, ZINC ION
著者Fage, C.D, Brown, D, Boll, J.M, Keatinge-Clay, A.T, Trent, M.S.
登録日2014-06-02
公開日2014-10-08
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystallographic study of the phosphoethanolamine transferase EptC required for polymyxin resistance and motility in Campylobacter jejuni.
Acta Crystallogr.,Sect.D, 70, 2014
2VB9
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beta-ketoacyl-ACP synthase I (KAS) from E. coli, apo structure
分子名称: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1, CHLORIDE ION
著者Pappenberger, G, Schulz-Gasch, T, Bailly, J, Hennig, M.
登録日2007-09-06
公開日2007-12-25
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-Assisted Discovery of an Aminothiazole Derivative as a Lead Molecule for Inhibition of Bacterial Fatty-Acid Synthesis.
Acta Crystallogr.,Sect.D, 63, 2007
4TNI
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RT XFEL structure of Photosystem II 500 ms after the third illumination at 4.6 A resolution
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Kern, J, Tran, R, Alonso-Mori, R, Koroidov, S, Echols, N, Hattne, J, Ibrahim, M, Gul, S, Laksmono, H, Sierra, R.G, Gildea, R.J, Han, G, Hellmich, J, Lassalle-Kaiser, B, Chatterjee, R, Brewster, A, Stan, C.A, Gloeckner, C, Lampe, A, DiFiore, D, Milathianaki, D, Fry, A.R, Seibert, M.M, Koglin, J.E, Gallo, E, Uhlig, J, Sokaras, D, Weng, T.-C, Zwart, P.H, Skinner, D.E, Bogan, M.J, Messerschmidt, M, Glatzel, P, Williams, G.J, Boutet, S, Adams, P.D, Zouni, A, Messinger, J, Sauter, N.K, Bergmann, U, Yano, J, Yachandra, V.K.
登録日2014-06-04
公開日2014-07-09
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (4.6 Å)
主引用文献Taking snapshots of photosynthetic water oxidation using femtosecond X-ray diffraction and spectroscopy.
Nat Commun, 5, 2014
8F4A
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BU of 8f4a by Molmil
Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with chlorhexidine
分子名称: 1-[6-[azanylidene-[[azanylidene-[[(4-chlorophenyl)amino]methyl]-$l^{4}-azanyl]methyl]-$l^{4}-azanyl]hexyl]-3-[~{N}-(4-chlorophenyl)carbamimidoyl]guanidine, GLYCEROL, N-acetyltransferase Eis
著者Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V.
登録日2022-11-10
公開日2023-02-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs.
Biochemistry, 62, 2023
7CTZ
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BU of 7ctz by Molmil
Wild-type plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with fragment 148, NADPH, and dUMP
分子名称: 1-[3-(trifluoromethyl)phenyl]urea, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
著者Vitsupakorn, D.
登録日2020-08-20
公開日2022-02-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Discovery of new non-pyrimidine scaffolds as Plasmodium falciparum DHFR inhibitors by fragment-based screening.
J Enzyme Inhib Med Chem, 36, 2021
5KOF
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BU of 5kof by Molmil
Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabB, and Acyl Carrier Protein, AcpP
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 1, Acyl carrier protein, [(3~{S})-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[2-(prop-2-enoylamino)ethylamino]propyl]amino]butyl] dihydrogen phosphate
著者Milligan, J.C, Jackson, D.R, Barajas, J.F, Tsai, S.C.
登録日2016-06-30
公開日2018-01-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular basis for interactions between an acyl carrier protein and a ketosynthase.
Nat.Chem.Biol., 15, 2019
7CB3
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BU of 7cb3 by Molmil
Crystal structure of type III polyketide synthase from Mycobacterium marinum
分子名称: ACETATE ION, Chalcone/stilbene synthase, MYRISTIC ACID, ...
著者Pratap, S, Kant, A, Saxena, P, Krishnan, V.
登録日2020-06-10
公開日2022-06-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Crystal structure of type III polyketide synthase from Mycobacterium marinum.
To Be Published
5KTC
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BU of 5ktc by Molmil
FdhC with bound products: Coenzyme A and 3-[(R)-3-hydroxybutanoylamino]-3,6-dideoxy-d-galactose
分子名称: 1,2-ETHANEDIOL, COENZYME A, FdhC, ...
著者Salinger, A.J, Thoden, J.B, Holden, H.M.
登録日2016-07-11
公開日2016-07-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and Functional Investigation of FdhC from Acinetobacter nosocomialis: A Sugar N-Acyltransferase Belonging to the GNAT Superfamily.
Biochemistry, 55, 2016
6TV6
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Octameric McsB from Bacillus subtilis.
分子名称: MAGNESIUM ION, Protein-arginine kinase
著者Suskiewicz, M.J, Hajdusits, B, Meinhart, A, Clausen, T.
登録日2020-01-09
公開日2021-07-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献McsB forms a gated kinase chamber to mark aberrant bacterial proteins for degradation.
Elife, 10, 2021
6RYZ
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SalL with S-adenosyl methionine
分子名称: 1,2-ETHANEDIOL, Adenosyl-chloride synthase, CHLORIDE ION, ...
著者McKean, I, Frese, A, Cuetos, A, Burley, G, Grogan, G.
登録日2019-06-12
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献S-Adenosyl Methionine Cofactor Modifications Enhance the Biocatalytic Repertoire of Small Molecule C-Alkylation.
Angew.Chem.Int.Ed.Engl., 58, 2019
6BNF
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Crystal structure of the intrinsic colistin resistance enzyme ICR(Mc) from Moraxella catarrhalis, catalytic domain, mono-zinc complex
分子名称: ACETATE ION, GLYCEROL, PHOSPHATE ION, ...
著者Stogios, P.J, Evdokimova, E, Wawrzak, Z, Di Leo, R, Savchenko, A, Anderson, W.F, Satchell, K.J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2017-11-16
公開日2018-01-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Substrate recognition by a colistin resistance enzyme from Moraxella catarrhalis.
ACS Chem. Biol., 2018
2VBQ
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Structure of AAC(6')-Iy in complex with bisubstrate analog CoA-S- monomethyl-acetylneamine.
分子名称: (3R,9Z)-17-[(2R,3S,4R,5R,6R)-5-amino-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-3,4-dihydroxytetrahydro-2H-pyran-2-yl]-3-hydroxy-2,2-dimethyl-4,8,15-trioxo-12-thia-5,9,16-triazaheptadec-9-en-1-yl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate, AMINOGLYCOSIDE 6'-N-ACETYLTRANSFERASE, GLYCEROL, ...
著者Vetting, M.W, Magalhaes, M.L, Freiburger, L, Gao, F, Auclair, K, Blanchard, J.S.
登録日2007-09-14
公開日2008-01-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Kinetic and Structural Analysis of Bisubstrate Inhibition of the Salmonella Enterica Aminoglycoside 6'-N-Acetyltransferase.
Biochemistry, 47, 2008
7D3E
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BU of 7d3e by Molmil
Cryo-EM structure of human DUOX1-DUOXA1 in low-calcium state
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Dual oxidase 1, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Chen, L, Wu, J.X.
登録日2020-09-19
公開日2020-12-09
最終更新日2021-06-23
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structures of human dual oxidase 1 complex in low-calcium and high-calcium states.
Nat Commun, 12, 2021
6R38
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T. brucei FPPS in complex with 2-(2,5-dichlorobenzo[b]thiophen-3-yl)acetic acid
分子名称: 2-[2,5-bis(chloranyl)-1-benzothiophen-3-yl]ethanoic acid, DIMETHYL SULFOXIDE, Farnesyl pyrophosphate synthase
著者Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W.
登録日2019-03-19
公開日2020-04-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Targeting Trypanosoma brucei FPPS by Fragment-based drug discovery
Thesis, 2019
4BMH
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Crystal structure of SsHAT
分子名称: ACETYLTRANSFERASE, CHLORIDE ION
著者He, Y, Turkenburg, J.P, Davies, G.J.
登録日2013-05-08
公開日2014-01-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Three-Dimensional Structure of a Streptomyces Sviceus Gnat Acetyltransferase with Similarity to the C-Terminal Domain of the Human Gh84 O-Glcnacase
Acta Crystallogr.,Sect.D, 70, 2014
6V9K
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CRYSTAL STRUCTURE OF THE HYBRID C-TERMINAL DOMAIN OF ENZYME I OF THE BACTERIAL PHOSPHOTRANSFERASE SYSTEM FORMED BY HYBRIDIZING THE SCAFFOLD OF THE ESCHERICHIA COLI ENZYME WITH THE ACTIVE SITE LOOPS FROM THE THERMOANAEROBACTER TENGCONGENSIS ENZYME
分子名称: MAGNESIUM ION, Phosphoenolpyruvate-protein phosphotransferase
著者Stewart Jr, C.E.
登録日2019-12-13
公開日2020-06-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Hybrid Thermophilic/Mesophilic Enzymes Reveal a Role for Conformational Disorder in Regulation of Bacterial Enzyme I.
J.Mol.Biol., 432, 2020
3JUW
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Putative GnaT-family acetyltransferase from Bordetella pertussis.
分子名称: Probable GnaT-family acetyltransferase, SULFATE ION
著者Osipiuk, J, Wu, R, Cobb, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2009-09-15
公開日2009-09-22
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献X-ray crystal structure of putative GnaT-family acetyltransferase from Bordetella pertussis.
To be Published

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