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5U6F
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Bacterial adhesin from Mobiluncus mulieris containing intramolecular disulfide, isopeptide, and ester bond cross-links (space group P21)
分子名称: LPXTG-motif cell wall anchor domain protein
著者Paynter, J, Young, P.G, Squire, C.J.
登録日2016-12-07
公開日2018-06-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Domain structure and cross-linking in a giant adhesin from the Mobiluncus mulieris bacterium.
Acta Crystallogr D Struct Biol, 79, 2023
5UAW
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BU of 5uaw by Molmil
Structure of apo human PYCR-1 crystallized in space group P21212
分子名称: Pyrroline-5-carboxylate reductase 1, mitochondrial, SULFATE ION
著者Tanner, J.J.
登録日2016-12-20
公開日2017-03-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Resolving the cofactor-binding site in the proline biosynthetic enzyme human pyrroline-5-carboxylate reductase 1.
J. Biol. Chem., 292, 2017
5UCW
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BU of 5ucw by Molmil
Cytochrome P411 P-4 A82L A78V F263L amination catalyst
分子名称: NADPH-cytochrome P450 reductase 102A1V3, PROTOPORPHYRIN IX CONTAINING FE
著者Zhang, R.K, Buller, A.R, Arnold, F.H.
登録日2016-12-22
公開日2017-05-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Enantioselective, intermolecular benzylic C-H amination catalysed by an engineered iron-haem enzyme.
Nat Chem, 9, 2017
5UGH
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BU of 5ugh by Molmil
Crystal structure of Mat2a bound to the allosteric inhibitor PF-02929366
分子名称: 2-(7-chloro-5-phenyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)-N,N-dimethylethan-1-amine, S-adenosylmethionine synthase isoform type-2
著者Kaiser, S.E, Feng, J, Stewart, A.E.
登録日2017-01-08
公開日2017-05-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.062 Å)
主引用文献Targeting S-adenosylmethionine biosynthesis with a novel allosteric inhibitor of Mat2A.
Nat. Chem. Biol., 13, 2017
5UHK
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BU of 5uhk by Molmil
Crystal structure of the core catalytic domain of Human O-GlcNAcase
分子名称: GLYCEROL, O-GlcNAcase TIM-barrel domain, O-GlcNAcase stalk domain
著者Klein, D.J, Elsen, N.L.
登録日2017-01-11
公開日2017-03-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献Crystal structure of the core catalytic domain of human O-GlcNAcase and molecular basis of activity and inhibition
To Be Published
5UHP
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BU of 5uhp by Molmil
Crystal structure of the core catalytic domain of human O-GlcNAcase
分子名称: GLYCEROL, O-GlcNAcase TIM-barrel domain, O-GlcNAcase stalk domain
著者Klein, D.J, Elsen, N.L.
登録日2017-01-11
公開日2017-03-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Crystal structure of the core catalytic domain of human O-GlcNAcase and molecular basis of activity and inhibition
To Be Published
5TY7
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BU of 5ty7 by Molmil
Crystal structure of wild-type S. aureus penicillin binding protein 4 (PBP4) in complex with nafcillin
分子名称: (2R,4S)-2-[(1R)-1-{[(2-ethoxynaphthalen-1-yl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Penicillin-binding protein 4, SODIUM ION, ...
著者Alexander, J.A.N, Strynadka, N.C.J.
登録日2016-11-18
公開日2018-06-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.894 Å)
主引用文献Structural and kinetic analysis of penicillin-binding protein 4 (PBP4)-mediated antibiotic resistance inStaphylococcus aureus.
J. Biol. Chem., 2018
5TYQ
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BU of 5tyq by Molmil
Crystal structure of a holoenzyme methyltransferase involved in the biosynthesis of gentamicin
分子名称: MAGNESIUM ION, Putative gentamicin methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Bury, P, Huang, F, Leadlay, P, Dias, M.V.B.
登録日2016-11-21
公開日2017-11-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.163 Å)
主引用文献Structural Basis of the Selectivity of GenN, an Aminoglycoside N-Methyltransferase Involved in Gentamicin Biosynthesis.
ACS Chem. Biol., 12, 2017
5TZE
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BU of 5tze by Molmil
Crystal structure of S. aureus TarS in complex with UDP-GlcNAc
分子名称: Glycosyl transferase, MANGANESE (II) ION, SULFATE ION, ...
著者Worrall, L.J, Sobhanifar, S, King, D.T, Strynadka, N.C.
登録日2016-11-21
公開日2017-01-04
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Structure and Mechanism of Staphylococcus aureus TarS, the Wall Teichoic Acid beta-glycosyltransferase Involved in Methicillin Resistance.
PLoS Pathog., 12, 2016
5TVU
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BU of 5tvu by Molmil
Crystal structure of mitochondrial Hsp90 (TRAP1) with ATP in absence of Mg
分子名称: ADENOSINE-5'-TRIPHOSPHATE, TNF receptor-associated protein 1
著者Elnatan, D, Betegon, M, Agard, D.A.
登録日2016-11-10
公開日2018-03-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Symmetry broken and rebroken during the ATP hydrolysis cycle of the mitochondrial Hsp90 TRAP1.
Elife, 6, 2017
5TWE
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BU of 5twe by Molmil
CTX-M-14 P167S:S70G mutant enzyme crystallized with ceftazidime
分子名称: ACYLATED CEFTAZIDIME, Beta-lactamase
著者Patel, M, Stojanoski, V, Sankaran, B, Prasad, B.V.V, Palzkill, T.
登録日2016-11-12
公開日2017-06-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The Drug-Resistant Variant P167S Expands the Substrate Profile of CTX-M beta-Lactamases for Oxyimino-Cephalosporin Antibiotics by Enlarging the Active Site upon Acylation.
Biochemistry, 56, 2017
5U04
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BU of 5u04 by Molmil
Crystal structure of Zika virus NS5 RNA-dependent RNA polymerase
分子名称: PHOSPHATE ION, ZINC ION, Zika Virus NS5 RdRp
著者Godoy, A.S, Lima, G.M.A, Oliveira, K.I.Z, Torres, N.U, Maluf, F.V, Guido, R.V.C, Oliva, G.
登録日2016-11-22
公開日2017-02-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of Zika virus NS5 RNA-dependent RNA polymerase.
Nat Commun, 8, 2017
5U0E
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BU of 5u0e by Molmil
Identification of a New Zinc Binding Chemotype by Fragment Screening
分子名称: (5R)-5-benzyl-2-sulfanylidene-1,3-thiazolidin-4-one, 1,2-ETHANEDIOL, Carbonic anhydrase 2, ...
著者Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K.
登録日2016-11-23
公開日2017-08-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Identification of a New Zinc Binding Chemotype by Fragment Screening.
J. Med. Chem., 60, 2017
5U0N
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BU of 5u0n by Molmil
Crystal structure of a methyltransferase in complex with the substrate involved in the biosynthesis of gentamicin
分子名称: (1R,2S,3S,4R,6S)-4,6-diamino-3-[(3-amino-3-deoxy-alpha-D-xylopyranosyl)oxy]-2-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside, MAGNESIUM ION, Putative gentamicin methyltransferase, ...
著者Bury, P, Huang, F, Li, S, Sun, Y, Leadlay, P, Dias, M.V.B.
登録日2016-11-25
公開日2017-11-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.115 Å)
主引用文献Structural Basis of the Selectivity of GenN, an Aminoglycoside N-Methyltransferase Involved in Gentamicin Biosynthesis.
ACS Chem. Biol., 12, 2017
5TZK
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BU of 5tzk by Molmil
Crystal structure of S. aureus TarS 1-349 in complex with UDP
分子名称: Glycosyl transferase, MANGANESE (II) ION, SULFATE ION, ...
著者Worrall, L.J, Sobhanifar, S, King, D.T, Strynadka, N.C.
登録日2016-11-21
公開日2017-01-04
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Structure and Mechanism of Staphylococcus aureus TarS, the Wall Teichoic Acid beta-glycosyltransferase Involved in Methicillin Resistance.
PLoS Pathog., 12, 2016
5TZP
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BU of 5tzp by Molmil
Crystal structure of FPV039:Bik BH3 complex
分子名称: 1,2-ETHANEDIOL, Bcl-2-like protein FPV039, Bik, ...
著者Anasir, M.I, Kvansakul, M.
登録日2016-11-22
公開日2017-05-03
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural basis of apoptosis inhibition by the fowlpox virus protein FPV039.
J. Biol. Chem., 292, 2017
5U0W
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BU of 5u0w by Molmil
E. coli dihydropteroate synthase complexed with 9-methylguanine
分子名称: 9-METHYLGUANINE, ACETIC ACID, Dihydropteroate synthase
著者Chhabra, S, Dennis, M.L, Peat, T.S, Swarbrick, J.D.
登録日2016-11-27
公開日2017-12-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.968 Å)
主引用文献8-Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase.
Chemistry, 24, 2018
5U2H
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BU of 5u2h by Molmil
Crystal structure of the ATP-gated P2X7 ion channel bound to ATP and allosteric antagonist A804598
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, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Karasawa, A, Kawate, T.
登録日2016-11-30
公開日2017-01-04
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.903 Å)
主引用文献Structural basis for subtype-specific inhibition of the P2X7 receptor.
Elife, 5, 2016
5U96
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BU of 5u96 by Molmil
Crystal structure of the coiled-coil domain from Listeria Innocua (Tetragonal Form)
分子名称: Putative integrase
著者Gupta, K, Van Duyne, G.D, Sharp, R, Yuan, J.B.
登録日2016-12-15
公開日2017-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Coiled-coil interactions mediate serine integrase directionality.
Nucleic Acids Res., 45, 2017
5UAT
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BU of 5uat by Molmil
Structure of human PYCR-1 complexed with NADPH
分子名称: DI(HYDROXYETHYL)ETHER, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pyrroline-5-carboxylate reductase 1, ...
著者Tanner, J.J.
登録日2016-12-20
公開日2017-03-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Resolving the cofactor-binding site in the proline biosynthetic enzyme human pyrroline-5-carboxylate reductase 1.
J. Biol. Chem., 292, 2017
5UBB
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BU of 5ubb by Molmil
Crystal structure of human alpha N-terminal protein methyltransferase 1B
分子名称: Alpha N-terminal protein methyltransferase 1B, S-ADENOSYLMETHIONINE, UNKNOWN ATOM OR ION
著者Dong, C, Zhu, L, Tempel, W, Dong, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2016-12-20
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献An asparagine/glycine switch governs product specificity of human N-terminal methyltransferase NTMT2.
Commun Biol, 1, 2018
5UBI
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BU of 5ubi by Molmil
Catalytic core domain of Adenosine triphosphate phosphoribosyltransferase from Campylobacter jejuni with bound PRPP
分子名称: 1,2-ETHANEDIOL, 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, ACETATE ION, ...
著者Mittelstaedt, G, Jiao, W, Livingstone, E.K, Parker, E.J.
登録日2016-12-20
公開日2017-12-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献A dimeric catalytic core relates the short and long forms of ATP-phosphoribosyltransferase.
Biochem. J., 475, 2018
5UBH
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BU of 5ubh by Molmil
Catalytic core domain of Adenosine triphosphate phosphoribosyltransferase from Campylobacter jejuni with bound ATP
分子名称: ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ATP phosphoribosyltransferase, ...
著者Mittelstaedt, G, Jiao, W, Livingstone, E.K, Parker, E.J.
登録日2016-12-20
公開日2017-12-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A dimeric catalytic core relates the short and long forms of ATP-phosphoribosyltransferase.
Biochem. J., 475, 2018
5TOO
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BU of 5too by Molmil
Crystal structure of alkaline phosphatase PafA T79S, N100A, K162A, R164A mutant
分子名称: Alkaline phosphatase PafA, CHLORIDE ION, ZINC ION
著者Lyubimov, A.Y, Sunden, F, AlSadhan, I, Herschlag, D.
登録日2016-10-18
公開日2017-11-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.031 Å)
主引用文献Differential catalytic promiscuity of the alkaline phosphatase superfamily bimetallo core reveals mechanistic features underlying enzyme evolution.
J. Biol. Chem., 292, 2017
5UC7
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Crystal structure of BioA / 7,8-diaminopelargonic acid aminotransferase / DAPA synthase from Citrobacter rodentium, PLP complex
分子名称: Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, D(-)-TARTARIC ACID
著者Stogios, P.J, Evdokimova, E, Di Leo, R, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2016-12-21
公開日2017-01-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.835 Å)
主引用文献Crystal structure of BioA / 7,8-diaminopelargonic acid aminotransferase / DAPA synthase from Citrobacter rodentium, PLP complex
To Be Published

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件を2024-10-02に公開中

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