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6X10
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Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with haloperidol
分子名称: 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one, CHLORIDE ION, GLYCEROL, ...
著者Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V.
登録日2020-05-17
公開日2021-06-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Structure-based design of haloperidol analogues as inhibitors of acetyltransferase Eis from Mycobacterium tuberculosis to overcome kanamycin resistance
Rsc Med Chem, 12, 2021
7Q7J
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Room temperature structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H mutant at 75 MPa helium gas pressure in a sapphire capillary
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ...
著者Lieske, J, Guenther, S, Saouane, S, Selikhanov, G.K, Gabdulkhakov, A.G, Meents, A.
登録日2021-11-09
公開日2022-11-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Fixed-target high-pressure macromolecular crystallography
To Be Published
6RXY
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BU of 6rxy by Molmil
Cryo-EM structure of the 90S pre-ribosome (Kre33-Noc4) from Chaetomium thermophilum, state a
分子名称: 35S rRNA, 40S ribosomal protein S13-like protein, 40S ribosomal protein S14-like protein, ...
著者Cheng, J, Kellner, N, Griesel, S, Berninghausen, O, Beckmann, R, Hurt, E.
登録日2019-06-10
公開日2019-08-14
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (4.7 Å)
主引用文献Thermophile 90S Pre-ribosome Structures Reveal the Reverse Order of Co-transcriptional 18S rRNA Subdomain Integration.
Mol.Cell, 75, 2019
5BY6
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BU of 5by6 by Molmil
Crystal structure of Trichinella spiralis thymidylate synthase complexed with dUMP
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLYCEROL, ...
著者Dowiercial, A, Jarmula, A, Rypniewski, W, Fraczyk, T, Wilk, P, Rode, W.
登録日2015-06-10
公開日2015-06-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of nematode (parasitic T. spiralis and free living C. elegans), compared to mammalian, thymidylate synthases (TS). Molecular docking and molecular dynamics simulations in search for nematode-specific inhibitors of TS.
J. Mol. Graph. Model., 77, 2017
6WQB
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BU of 6wqb by Molmil
Crystal structure of VipF from Legionella hackeliae in complex with acetyl-CoA
分子名称: ACETYL COENZYME *A, N-terminal acetyltransferase, GNAT family
著者Stogios, P.J, Skarina, T, Wawrzak, Z, Sandoval, J, Di Leo, R, Savchenko, A.
登録日2020-04-28
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of VipF from Legionella hackeliae in complex with acetyl-CoA
To Be Published
6WQC
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BU of 6wqc by Molmil
Crystal structure of VipF from Legionella hackeliae in complex with CoA
分子名称: COENZYME A, N-terminal acetyltransferase, GNAT family
著者Stogios, P.J, Skarina, T, Wawrzak, Z, Sandoval, J, Di Leo, R, Savchenko, A.
登録日2020-04-28
公開日2021-11-10
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Crystal structure of VipF from Legionella hackeliae in complex with CoA
To Be Published
6RH1
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BU of 6rh1 by Molmil
Revisiting pH-gated conformational switch. Complex HK853-RR468 D53A pH 7
分子名称: ADENOSINE-5'-DIPHOSPHATE, Response regulator, SULFATE ION, ...
著者Mideros-Mora, C, Casino, P, Marina, A.
登録日2019-04-18
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Revisiting the pH-gated conformational switch on the activities of HisKA-family histidine kinases.
Nat Commun, 11, 2020
8D84
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E. faecium MurAA in complex with UDP-N-acetylmuramic acid (UNAM) and a covalent adduct of PEP with Cys119
分子名称: (2R)-2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoic acid, UDP-N-acetylglucosamine 1-carboxyvinyltransferase
著者Zhou, Y, Shamoo, Y.
登録日2022-06-07
公開日2023-07-05
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献E. faecium MurAA in complex with fosfomycin and UNAG
To Be Published
6RXX
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Cryo-EM structure of the 90S pre-ribosome (Kre33-Noc4) from Chaetomium thermophilum, state C, Poly-Ala
分子名称: 35S ribosomal RNA, 40S ribosomal protein S1, 40S ribosomal protein S11-like protein, ...
著者Cheng, J, Kellner, N, Griesel, S, Berninghausen, O, Beckmann, R, Hurt, E.
登録日2019-06-10
公開日2019-08-14
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (7.1 Å)
主引用文献Thermophile 90S Pre-ribosome Structures Reveal the Reverse Order of Co-transcriptional 18S rRNA Subdomain Integration.
Mol.Cell, 75, 2019
8DAE
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BU of 8dae by Molmil
Arabidopsis thaliana bifunctional dihydrofolate reductase-thymidylate synthase
分子名称: Bifunctional dihydrofolate reductase-thymidylate synthase 1
著者Bond, C.S, Haywood, J.
登録日2022-06-13
公開日2023-06-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Arabidopsis thaliana bifunctional dihydrofolate reductase-thymidylate synthase
To Be Published
6S84
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TsaBDE complex from Thermotoga maritima
分子名称: ATPase YjeE, predicted to have essential role in cell wall biosynthesis, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
著者Missoury, S, Li-de-La-Sierra-Gallay, I, van Tilbeurgh, H.
登録日2019-07-08
公開日2019-07-17
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献The structure of the TsaB/TsaD/TsaE complex reveals an unexpected mechanism for the bacterial t6A tRNA-modification.
Nucleic Acids Res., 46, 2018
6RZ2
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BU of 6rz2 by Molmil
SalL with Chloroadenosine
分子名称: 5'-CHLORO-5'-DEOXYADENOSINE, Adenosyl-chloride synthase
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 (1.77 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
2IIK
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BU of 2iik by Molmil
Crystal Structure of human peroxisomal acetyl-CoA acyl transferase 1 (ACAA1)
分子名称: 3-ketoacyl-CoA thiolase, peroxisomal
著者Papagrigoriou, E, Johansson, C, Smee, C, Kavanagh, K, Pike, A.C.W, Sundstrom, M, Weigelt, J, Edwards, A, Arrowsmith, C.H, Gileadi, O, Gorrec, F, Umeano, C, von Delft, F, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2006-09-28
公開日2006-10-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Crystal Structure of human peroxisomal acetyl-CoA acyl transferase 1 (ACAA1)
TO BE PUBLISHED
2IVN
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BU of 2ivn by Molmil
Structure of UP1 protein
分子名称: GLYCEROL, MAGNESIUM ION, O-SIALOGLYCOPROTEIN ENDOPEPTIDASE, ...
著者Hecker, A, Leulliot, N, Graille, M, Dorlet, P, Quevillon-Cheruel, S, Ulryck, N, Van Tilbeurgh, H, Forterre, P.
登録日2006-06-14
公開日2007-07-31
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献An Archaeal Orthologue of the Universal Protein Kae1 is an Iron Metalloprotein which Exhibits Atypical DNA-Binding Properties and Apurinic-Endonuclease Activity in Vitro.
Nucleic Acids Res., 35, 2007
6RXV
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BU of 6rxv by Molmil
Cryo-EM structure of the 90S pre-ribosome (Kre33-Noc4) from Chaetomium thermophilum, state B2
分子名称: 35S ribosomal RNA, 40S ribosomal protein S1, 40S ribosomal protein S11-like protein, ...
著者Cheng, J, Kellner, N, Griesel, S, Berninghausen, O, Beckmann, R, Hurt, E.
登録日2019-06-10
公開日2019-08-14
最終更新日2019-10-02
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Thermophile 90S Pre-ribosome Structures Reveal the Reverse Order of Co-transcriptional 18S rRNA Subdomain Integration.
Mol.Cell, 75, 2019
5CBQ
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BU of 5cbq by Molmil
Crystal structure of a T1-like thiolase from Mycobacterium smegmatis
分子名称: Beta-ketothiolase
著者Janardan, N, Murthy, M.R.N.
登録日2015-07-01
公開日2016-05-18
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural characterization of a mitochondrial 3-ketoacyl-CoA (T1)-like thiolase from Mycobacterium smegmatis
Acta Crystallogr.,Sect.D, 71, 2015
2J1Q
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BU of 2j1q by Molmil
Crystal structure of Trypanosoma cruzi arginine kinase
分子名称: ARGININE KINASE, GLYCEROL
著者Fernandez, P, Haouz, A, Pereira, C.A, Aguilar, C, Alzari, P.M.
登録日2006-08-15
公開日2007-07-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Crystal Structure of Trypanosoma Cruzi Arginine Kinase.
Proteins, 69, 2007
2ICZ
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BU of 2icz by Molmil
NMR Structures of the Expanded DNA 10bp xTGxTAxCxGCxAxGT:xACTxGCGxTAxCA
分子名称: 5'-D(*(XAE)P*CP*TP*(XGA)P*CP*GP*(XTY)P*AP*(XCS)P*A)-3', 5'-D(*(XTY)P*GP*(XTY)P*AP*(XCS)P*(XGA)P*CP*(XAE)P*(XGA)P*T)-3'
著者Lynch, S.R.
登録日2006-09-13
公開日2006-11-21
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Toward a Designed, Functioning Genetic System with Expanded-Size Base Pairs: Solution Structure of the Eight-Base xDNA Double Helix.
J.Am.Chem.Soc., 128, 2006
1AIJ
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BU of 1aij by Molmil
PHOTOSYNTHETIC REACTION CENTER FROM RHODOBACTER SPHAEROIDES IN THE CHARGE-NEUTRAL DQAQB STATE
分子名称: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (II) ION, ...
著者Stowell, M.H.B, Mcphillips, T.M, Soltis, S.M, Rees, D.C, Abresch, E, Feher, G.
登録日1997-04-18
公開日1997-10-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Light-induced structural changes in photosynthetic reaction center: implications for mechanism of electron-proton transfer.
Science, 276, 1997
5C88
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BU of 5c88 by Molmil
Crystal structure of Ard1 N-terminal acetyltransferase from Sulfolobus solfataricus in monoclinic form
分子名称: COENZYME A, Uncharacterized N-acetyltransferase SSO0209
著者Chang, Y.Y, Hsu, C.H.
登録日2015-06-25
公開日2016-01-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Multiple Conformations of the Loop Region Confers Heat-Resistance on SsArd1, a Thermophilic NatA.
Chembiochem, 17, 2016
2HIT
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BU of 2hit by Molmil
Reaction centre from Rhodobacter sphaeroides strain R-26.1 complexed with dibrominated phosphatidylethanolamine
分子名称: (1R)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (9S,10S)-9,10-DIBROMOOCTADECANOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, BACTERIOCHLOROPHYLL A, ...
著者Roszak, A.W, Gardiner, A.T, Isaacs, N.W, Cogdell, R.J.
登録日2006-06-29
公開日2007-03-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Brominated Lipids Identify Lipid Binding Sites on the Surface of the Reaction Center from Rhodobacter sphaeroides.
Biochemistry, 46, 2007
6SDP
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BU of 6sdp by Molmil
Trypanosoma cruzi farnesyl diphosphate synthase in complex with fragment 4np
分子名称: Farnesyl diphosphate synthase, P-NITROPHENOL, SULFATE ION, ...
著者Magari, F, Heine, A, Klebe, G.
登録日2019-07-29
公開日2020-08-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Trypanosoma cruzi farnesyl diphosphate synthase in complex with fragment 4np
To Be Published
7RJA
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BU of 7rja by Molmil
Complex III2 from Candida albicans, inhibitor free
分子名称: Cytochrome b, Cytochrome b-c1 complex subunit 2, mitochondrial, ...
著者Di Trani, J.M, Rubinstein, J.L.
登録日2021-07-20
公開日2021-09-15
最終更新日2022-01-19
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Rieske head domain dynamics and indazole-derivative inhibition of Candida albicans complex III.
Structure, 30, 2022
7RJE
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Complex III2 from Candida albicans, Inz-5 bound
分子名称: 3-[2-fluoro-5-(trifluoromethyl)phenyl]-7-methyl-1-[(2-methyl-2H-tetrazol-5-yl)methyl]-1H-indazole, Cytochrome b, Cytochrome b-c1 complex subunit 2, ...
著者Di Trani, J.M, Rubinstein, J.L.
登録日2021-07-20
公開日2021-09-15
最終更新日2022-01-19
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Rieske head domain dynamics and indazole-derivative inhibition of Candida albicans complex III.
Structure, 30, 2022
7RJC
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Complex III2 from Candida albicans, inhibitor free, Rieske head domain in intermediate position
分子名称: Cytochrome b, Cytochrome b-c1 complex subunit 2, mitochondrial, ...
著者Di Trani, J.M, Rubinstein, J.L.
登録日2021-07-20
公開日2021-09-15
最終更新日2022-01-19
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Rieske head domain dynamics and indazole-derivative inhibition of Candida albicans complex III.
Structure, 30, 2022

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