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5IIJ
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Crystal structure of the pre-catalytic ternary complex of DNA polymerase lambda with a templating 8-oxo-dG and an incoming dCTP
分子名称: 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, DNA (5'-D(*CP*AP*GP*TP*AP*(DOC))-3'), DNA (5'-D(*CP*GP*GP*CP*(8OG)P*GP*TP*AP*CP*TP*G)-3'), ...
著者Burak, M.J, Guja, K.E, Garcia-Diaz, M.
登録日2016-03-01
公開日2016-08-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.724 Å)
主引用文献A fidelity mechanism in DNA polymerase lambda promotes error-free bypass of 8-oxo-dG.
Embo J., 35, 2016
5WA8
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Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) H112N mutant nucleoside L-Ala phosphoramidate substrate complex
分子名称: CHLORIDE ION, Histidine triad nucleotide-binding protein 1, [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-[(2~{S})-1-methoxy-1-oxidanylidene-propan-2-yl]phosphonamidic acid
著者Maize, K.M, Finzel, B.C.
登録日2017-06-26
公開日2017-10-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides.
Mol. Pharm., 14, 2017
5WMQ
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BU of 5wmq by Molmil
Crystal Structure of HLA-B8 in complex with ELR, an Influenza A virus peptide
分子名称: Beta-2-microglobulin, ELR peptide from IAV, HLA class I histocompatibility antigen, ...
著者Gras, S, Rossjohn, J.
登録日2017-07-31
公開日2018-06-06
最終更新日2020-02-26
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Inability To Detect Cross-Reactive Memory T Cells Challenges the Frequency of Heterologous Immunity among Common Viruses.
J. Immunol., 200, 2018
6I1D
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BU of 6i1d by Molmil
Structure of the Ysh1-Mpe1 nuclease complex from S.cerevisiae
分子名称: Endoribonuclease YSH1, GLYCEROL, Protein MPE1, ...
著者Hill, C.H, Boreikaite, V, Kumar, A, Casanal, A, Kubik, P, Degliesposti, G, Maslen, S, Mariani, A, von Loeffelholz, O, Girbig, M, Skehel, M, Passmore, L.A.
登録日2018-10-28
公開日2019-02-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Activation of the Endonuclease that Defines mRNA 3' Ends Requires Incorporation into an 8-Subunit Core Cleavage and Polyadenylation Factor Complex.
Mol.Cell, 73, 2019
5IKY
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Apo structure of Obc1, a bifunctional enzyme for quorum sensing-dependent oxalogenesis
分子名称: MAGNESIUM ION, Oxalate biosynthetic component 1
著者Oh, J, Rhee, S.
登録日2016-03-04
公開日2016-06-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Insights into an Oxalate-producing Serine Hydrolase with an Unusual Oxyanion Hole and Additional Lyase Activity
J.Biol.Chem., 291, 2016
5WMW
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BU of 5wmw by Molmil
Structural Insights into Substrate and Inhibitor Binding Sites in Human Indoleamine 2,3-Dioxygenase 1
分子名称: CYANIDE ION, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Lewis-Ballester, A, Yeh, S.R, Pham, K.N, Batabyal, D, Karkashon, S, Bonanno, J.B, Poulos, T.L.
登録日2017-07-31
公開日2017-12-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.03 Å)
主引用文献Structural insights into substrate and inhibitor binding sites in human indoleamine 2,3-dioxygenase 1.
Nat Commun, 8, 2017
5ILE
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BU of 5ile by Molmil
H64A sperm whale myoglobin with a Fe-tolyl moiety
分子名称: Myoglobin, SULFATE ION, [3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)di(propanoato)(2-)](3-methylphenyl)iron
著者Wang, B, Thomas, L.M, Richter-Addo, G.B.
登録日2016-03-03
公開日2016-09-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Organometallic myoglobins: Formation of Fe-carbon bonds and distal pocket effects on aryl ligand conformations.
J. Inorg. Biochem., 164, 2016
5WCR
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BU of 5wcr by Molmil
Phosphotriesterase variant R0deltaL7
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-R0, ...
著者Miton, C.M, Campbell, E.C, Jackson, C.J, Tokuriki, N.
登録日2017-07-01
公開日2019-01-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Phosphotriesterase variant R0deltaL7
To Be Published
6I1I
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BU of 6i1i by Molmil
Crystal structure of TP domain from Escherichia coli penicillin-binding protein 3 in complex with penicillin
分子名称: Peptidoglycan D,D-transpeptidase FtsI,Peptidoglycan D,D-transpeptidase FtsI, Piperacillin (Open Form)
著者Bellini, D, Koekemoer, L, Newman, H, Dowson, C.G.
登録日2018-10-28
公開日2019-11-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Novel and Improved Crystal Structures of H. influenzae, E. coli and P. aeruginosa Penicillin-Binding Protein 3 (PBP3) and N. gonorrhoeae PBP2: Toward a Better Understanding of beta-Lactam Target-Mediated Resistance.
J.Mol.Biol., 431, 2019
5WO2
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BU of 5wo2 by Molmil
Chaperone Spy bound to Casein Fragment (Casein un-modeled)
分子名称: CHLORIDE ION, IMIDAZOLE, Periplasmic chaperone Spy, ...
著者Horowitz, S, Koldewey, P, Martin, R, Bardwell, J.C.A.
登録日2017-08-01
公開日2017-08-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.769 Å)
主引用文献Visualizing chaperone-assisted protein folding.
Nat. Struct. Mol. Biol., 23, 2016
6I5X
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BU of 6i5x by Molmil
Crystal structure of Aspergillus fumigatus phosphomannomutase
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
著者Zhang, Y, Raimi, O.G, Ferenbach, A.T, van Aalten, D.M.F.
登録日2018-11-15
公開日2019-11-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of Aspergillus fumigatus phosphomannomutase
To Be Published
5WEW
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BU of 5wew by Molmil
Crystal structure of Klebsiella pneumoniae fosfomycin resistance protein (FosAKP) with inhibitor (ANY1) bound
分子名称: 6,6'-(4-nitro-1H-pyrazole-3,5-diyl)bis(3-bromopyrazolo[1,5-a]pyrimidin-2(1H)-one), Fosfomycin resistance protein, MANGANESE (II) ION
著者Klontz, E.H, Sundberg, E.J.
登録日2017-07-10
公開日2018-07-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.178 Å)
主引用文献Small-Molecule Inhibitor of FosA Expands Fosfomycin Activity to Multidrug-Resistant Gram-Negative Pathogens.
Antimicrob. Agents Chemother., 63, 2019
6I22
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BU of 6i22 by Molmil
Flavin Analogue Sheds Light on Light-Oxygen-Voltage Domain Mechanism
分子名称: Aureochrome1-like protein, FLAVIN MONONUCLEOTIDE
著者Rizkallah, P.J, Kalvaitis, M.E, Allemann, R.K, Mart, R.J, Johnson, L.A.
登録日2018-10-31
公開日2019-05-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献A Noncanonical Chromophore Reveals Structural Rearrangements of the Light-Oxygen-Voltage Domain upon Photoactivation.
Biochemistry, 58, 2019
5WPB
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BU of 5wpb by Molmil
Crystal structure of fragment 3-(3-(pyridin-2-ylmethoxy)quinoxalin-2-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain
分子名称: 3-{3-[(pyridin-2-yl)methoxy]quinoxalin-2-yl}propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ...
著者Harding, R.J, Tempel, W, Ferreira de Freitas, R, Franzoni, I, Ravichandran, M, Lautens, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
登録日2017-08-04
公開日2017-08-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Small Molecule Antagonists of the Interaction between the Histone Deacetylase 6 Zinc-Finger Domain and Ubiquitin.
J. Med. Chem., 60, 2017
5INI
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BU of 5ini by Molmil
Structural basis for acyl-CoA carboxylase-mediated assembly of unusual polyketide synthase extender units incorporated into the stambomycin antibiotics
分子名称: HEXANOYL-COENZYME A, Putative carboxyl transferase
著者Valentic, T.R, Ray, L, Miyazawa, T, Withall, D.M, Song, L, Milligan, J.C, Osada, H, Tsai, S.C, Challis, G.L.
登録日2016-03-07
公開日2016-12-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献A crotonyl-CoA reductase-carboxylase independent pathway for assembly of unusual alkylmalonyl-CoA polyketide synthase extender units.
Nat Commun, 7, 2016
6I2P
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BU of 6i2p by Molmil
Crystal structure of the Mycobacterium tuberculosis PknB kinase domain (L33E mutant) in complex with its substrate GarA
分子名称: Glycogen accumulation regulator GarA, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
著者Andre-Leroux, G, Hindie, V, Barilone, N, Bellinzoni, M, Alzari, P.M.
登録日2018-11-01
公開日2019-05-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Structural insights into the functional versatility of an FHA domain protein in mycobacterial signaling.
Sci.Signal., 12, 2019
5WPK
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BU of 5wpk by Molmil
Structure of the class II 3-hydroxy-3-methylglutaryl-CoA reductase from Streptococcus pneumoniae bound to HMG-CoA and in a partially closed conformation
分子名称: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3-HYDROXY-3-METHYLGLUTARYL-COENZYME A, 3-hydroxy-3-methylglutaryl coenzyme A reductase, ...
著者Miller, B.R, Kung, Y.
登録日2017-08-04
公開日2018-04-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Features and Domain Movements Controlling Substrate Binding and Cofactor Specificity in Class II HMG-CoA Reductase.
Biochemistry, 57, 2018
5WGR
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Crystal Structure of Wild-type MalA', premalbrancheamide complex
分子名称: (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, CADMIUM ION, CHLORIDE ION, ...
著者Fraley, A.E, Smith, J.L.
登録日2017-07-14
公開日2017-08-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.362 Å)
主引用文献Function and Structure of MalA/MalA', Iterative Halogenases for Late-Stage C-H Functionalization of Indole Alkaloids.
J. Am. Chem. Soc., 139, 2017
5I5J
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BU of 5i5j by Molmil
Shewanella denitrificans nitrous oxide reductase, reduced apo form
分子名称: Nitrous-oxide reductase
著者Schneider, L.K, Einsle, O.
登録日2016-02-15
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Role of Calcium in Secondary Structure Stabilization during Maturation of Nitrous Oxide Reductase.
Biochemistry, 55, 2016
5WGZ
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BU of 5wgz by Molmil
Crystal Structure of Wild-type MalA', isomalbrancheamide B complex
分子名称: (5aS,12aS,13aS)-8-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, CADMIUM ION, CHLORIDE ION, ...
著者Fraley, A.E, Smith, J.L.
登録日2017-07-14
公開日2017-08-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.041 Å)
主引用文献Function and Structure of MalA/MalA', Iterative Halogenases for Late-Stage C-H Functionalization of Indole Alkaloids.
J. Am. Chem. Soc., 139, 2017
6I5Y
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BU of 6i5y by Molmil
Crystal structure of E. coli tyrRS in complex with 5'-O-(N-L-tyrosyl)sulfamoyl-adenosine
分子名称: 1,2-ETHANEDIOL, 5'-O-[N-(L-TYROSYL)SULFAMOYL]ADENOSINE, Tyrosine--tRNA ligase
著者De Graef, S, Pang, L, Strelkov, S.V, Weeks, S.D.
登録日2018-11-15
公開日2019-04-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Comparative analysis of pyrimidine substituted aminoacyl-sulfamoyl nucleosides as potential inhibitors targeting class I aminoacyl-tRNA synthetases.
Eur.J.Med.Chem., 173, 2019
6I6I
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Circular permutant of ribosomal protein S6, adding 6aa to C terminal of P68-69, L75A mutant
分子名称: 30S ribosomal protein S6,30S ribosomal protein S6, SULFATE ION
著者Wang, H, Logan, D.T, Oliveberg, M.
登録日2018-11-15
公開日2019-11-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Exposing the distinctive modular behavior of beta-strands and alpha-helices in folded proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020
6I6M
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Papaver somniferum O-methyltransferase 1
分子名称: (13aS)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,9-diol, O-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE
著者Cabry, M.P, Offen, W.A, Winzer, T, Li, Y, Graham, I.A, Davies, G.J, Saleh, P.
登録日2018-11-15
公開日2019-03-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structure of Papaver somniferum O-Methyltransferase 1 Reveals Initiation of Noscapine Biosynthesis with Implications for Plant Natural Product Methylation
Acs Catalysis, 2019
5WJ4
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BU of 5wj4 by Molmil
Crystal structure of redox-sensitive green fluorescent protein Clover mutant roClover1
分子名称: Green fluorescent protein
著者Liu, C, Campbell, B.C, Petsko, G.A.
登録日2017-07-21
公開日2018-01-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.631 Å)
主引用文献Crystal Structure of Green Fluorescent Protein Clover and Design of Clover-Based Redox Sensors.
Structure, 26, 2018
6I8V
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KtrC with ATP bound
分子名称: 1,4-BUTANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ...
著者Rocha, R, Morais-Cabral, J.H.
登録日2018-11-21
公開日2019-10-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.991 Å)
主引用文献Characterization of the molecular properties of KtrC, a second RCK domain that regulates a Ktr channel in Bacillus subtilis.
J.Struct.Biol., 205, 2019

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