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6CT9
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BU of 6ct9 by Molmil
Structure of the human cGAS-DNA complex
分子名称: Cyclic GMP-AMP synthase, DNA (5'-D(*AP*AP*AP*TP*TP*GP*CP*CP*GP*AP*AP*GP*AP*CP*GP*A)-3'), DNA (5'-D(P*CP*GP*TP*CP*TP*TP*CP*GP*GP*CP*AP*AP*T)-3'), ...
著者Zhou, W, Whiteley, A.T, de Oliveira Mann, C.C, Morehouse, B.R, Mekalanos, J.J, Kranzusch, P.J.
登録日2018-03-22
公開日2018-07-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Structure of the Human cGAS-DNA Complex Reveals Enhanced Control of Immune Surveillance.
Cell, 174, 2018
6D2P
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BU of 6d2p by Molmil
Crystal structure of IOMA-class CLK31 Fab from an HIV-1 naive donor in complex with a germline-targeting gp120 engineered outer domain eOD-GT8 at 2.6 A
分子名称: GLYCEROL, Germline-targeting HIV-1 gp120 engineered outer domain eOD-GT8, IOMAclass naive CLK31 Fab heavy chain, ...
著者Sarkar, A, Wilson, I.A.
登録日2018-04-13
公開日2019-01-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The human naive B cell repertoire contains distinct subclasses for a germline-targeting HIV-1 vaccine immunogen.
Sci Transl Med, 10, 2018
6PG1
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BU of 6pg1 by Molmil
Crystal Structure of EcDsbA in a complex with unpurified reaction product F1 (methylpiperazinone 6)
分子名称: 1,2-ETHANEDIOL, 2-methyl-4-{4-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]phenoxy}benzonitrile, COPPER (II) ION, ...
著者Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J.
登録日2019-06-23
公開日2020-07-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiL X ).
J.Med.Chem., 63, 2020
6PDH
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BU of 6pdh by Molmil
Crystal Structure of EcDsbA in a complex with purified pyrazole 9
分子名称: 2-[4-(4-cyano-3-methylphenoxy)phenyl]-N-ethyl-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide, TRIETHYLENE GLYCOL, Thiol:disulfide interchange protein DsbA
著者Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J.
登録日2019-06-19
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiL X ).
J.Med.Chem., 63, 2020
6CYQ
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BU of 6cyq by Molmil
Crystal structure of CTX-M-14 S70G/N106S beta-lactamase in complex with hydrolyzed cefotaxime
分子名称: (2R)-2-[(R)-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-methylidene-5,6-dihydro -2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, GLYCEROL
著者Patel, M.P, Hu, L, Sankaran, B, Brown, C, Prasad, B.V.V, Palzkill, T.
登録日2018-04-06
公開日2018-10-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.698 Å)
主引用文献Synergistic effects of functionally distinct substitutions in beta-lactamase variants shed light on the evolution of bacterial drug resistance.
J. Biol. Chem., 293, 2018
7B83
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BU of 7b83 by Molmil
Structure of SARS-CoV-2 Main Protease bound to pyrithione zinc
分子名称: 3C-like proteinase, 9-oxa-7-thia-1-azonia-8$l^{2}-zincabicyclo[4.3.0]nona-1,3,5-triene, CHLORIDE ION, ...
著者Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A.
登録日2020-12-12
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
6PEL
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BU of 6pel by Molmil
Crystal structure of bovine opsin with citronellol bound
分子名称: (3R)-3,7-dimethyloct-6-en-1-ol, ILENLKDVGLF G alpha peptide CT2, PALMITIC ACID, ...
著者Eger, B.T, Morizumi, T, Ernst, O.P.
登録日2019-06-20
公開日2020-06-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.186 Å)
主引用文献Odorant-binding site in visual opsin
To Be Published
2TRX
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BU of 2trx by Molmil
CRYSTAL STRUCTURE OF THIOREDOXIN FROM ESCHERICHIA COLI AT 1.68 ANGSTROMS RESOLUTION
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, COPPER (II) ION, THIOREDOXIN
著者Katti, S.K, Lemaster, D.M, Eklund, H.
登録日1990-03-19
公開日1991-10-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Crystal structure of thioredoxin from Escherichia coli at 1.68 A resolution.
J.Mol.Biol., 212, 1990
7O1Q
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BU of 7o1q by Molmil
Amyloid beta oligomer displayed on the alpha hemolysin scaffold
分子名称: Alpha-hemolysin hybridized Abeta
著者Wu, J, Blum, T.B, Farrell, D.P, DiMaio, F, Abrahams, J.P, Luo, J.
登録日2021-03-30
公開日2021-04-14
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Cryo-electron Microscopy Imaging of Alzheimer's Amyloid-beta 42 Oligomer Displayed on a Functionally and Structurally Relevant Scaffold.
Angew.Chem.Int.Ed.Engl., 60, 2021
7NSB
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BU of 7nsb by Molmil
Supramolecular assembly module of yeast Chelator-GID SR4 E3 ubiquitin ligase
分子名称: Glucose-induced degradation protein 7, Glucose-induced degradation protein 8, Vacuolar import and degradation protein 30
著者Chrustowicz, J, Sherpa, D, Prabu, J.R, Schulman, B.A.
登録日2021-03-05
公開日2021-05-05
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献GID E3 ligase supramolecular chelate assembly configures multipronged ubiquitin targeting of an oligomeric metabolic enzyme.
Mol.Cell, 81, 2021
7NS3
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BU of 7ns3 by Molmil
Substrate receptor scaffolding module of yeast Chelator-GID SR4 E3 ubiquitin ligase bound to Fbp1 substrate
分子名称: BJ4_G0018240.mRNA.1.CDS.1, Fructose-bisphosphatase, Glucose-induced degradation protein 8, ...
著者Sherpa, D, Chrustowicz, J, Prabu, J.R, Schulman, B.A.
登録日2021-03-05
公開日2021-05-05
最終更新日2021-07-07
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献GID E3 ligase supramolecular chelate assembly configures multipronged ubiquitin targeting of an oligomeric metabolic enzyme.
Mol.Cell, 81, 2021
1EMT
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BU of 1emt by Molmil
FAB ANTIBODY FRAGMENT OF AN C60 ANTIFULLERENE ANTIBODY
分子名称: IGG ANTIBODY (HEAVY CHAIN), IGG ANTIBODY (LIGHT CHAIN)
著者Braden, B.C, Goldbaum, F.A, Chen, B.-X, Erlanger, B.F, Kirschner, A.N, Wilson, S.R.
登録日2000-03-17
公開日2000-11-01
最終更新日2017-10-04
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献X-ray crystal structure of an anti-Buckminsterfullerene antibody fab fragment: biomolecular recognition of C(60).
Proc.Natl.Acad.Sci.USA, 97, 2000
7NSC
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BU of 7nsc by Molmil
Substrate receptor scaffolding module of human CTLH E3 ubiquitin ligase
分子名称: Glucose-induced degradation protein 4 homolog, Glucose-induced degradation protein 8 homolog, Isoform 2 of Armadillo repeat-containing protein 8, ...
著者Chrustowicz, J, Sherpa, D, Prabu, J.R, Schulman, B.A.
登録日2021-03-05
公開日2021-05-05
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献GID E3 ligase supramolecular chelate assembly configures multipronged ubiquitin targeting of an oligomeric metabolic enzyme.
Mol.Cell, 81, 2021
1EPP
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BU of 1epp by Molmil
ENDOTHIA ASPARTIC PROTEINASE (ENDOTHIAPEPSIN) COMPLEXED WITH PD-130,693 (MAS PHE LYS+MTF STA MBA)
分子名称: ENDOTHIAPEPSIN, N-(dimethylsulfamoyl)-L-phenylalanyl-N-[(1S,2S)-2-hydroxy-4-{[(2S)-2-methylbutyl]amino}-1-(2-methylpropyl)-4-oxobutyl]-N~6~-(methylcarbamothioyl)-L-lysinamide, SULFATE ION
著者Wallace, B.A, Cooper, J.B, Blundell, T.L.
登録日1994-07-27
公開日1994-12-20
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Analyses of ligand binding in five endothiapepsin crystal complexes and their use in the design and evaluation of novel renin inhibitors.
J.Med.Chem., 36, 1993
6W2Y
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BU of 6w2y by Molmil
CryoEM Structure of GABAB1b Homodimer
分子名称: (1S)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Papasergi-Scott, M.M, Robertson, M.J, Skiniotis, G.
登録日2020-03-08
公開日2020-07-01
最終更新日2020-08-26
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structures of metabotropic GABABreceptor.
Nature, 584, 2020
7NS4
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BU of 7ns4 by Molmil
Catalytic module of yeast Chelator-GID SR4 E3 ubiquitin ligase
分子名称: E3 ubiquitin-protein ligase RMD5, Protein FYV10, ZINC ION
著者Sherpa, D, Chrustowicz, J, Prabu, J.R, Schulman, B.A.
登録日2021-03-05
公開日2021-05-05
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献GID E3 ligase supramolecular chelate assembly configures multipronged ubiquitin targeting of an oligomeric metabolic enzyme.
Mol.Cell, 81, 2021
4P20
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BU of 4p20 by Molmil
Crystal structures of the bacterial ribosomal decoding site complexed with amikacin
分子名称: (2S)-N-[(1R,2S,3S,4R,5S)-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-azanyl-2-[(2S,3R,4S,5S ,6R)-4-azanyl-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]-4-azanyl-2-oxidanyl-butanamide, 5'-R(*UP*UP*GP*CP*GP*UP*CP*AP*CP*AP*CP*CP*GP*GP*UP*GP*AP*AP*GP*UP*CP*GP*C)-3'
著者Kondo, J, Francois, B, Russell, R.J.M, Murray, J.B, Westhof, E.
登録日2014-02-28
公開日2014-05-07
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of the bacterial ribosomal decoding site complexed with amikacin containing the gamma-amino-alpha-hydroxybutyryl (haba) group.
Biochimie, 88, 2006
6P8L
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BU of 6p8l by Molmil
Escherichia coli Bacterioferritin Substituted with Zinc Protoporphyrin IX (Zn Absorption Edge X-ray Data)
分子名称: Bacterioferritin, MALONATE ION, PROTOPORPHYRIN IX CONTAINING ZN, ...
著者Taylor, A.B, Cioloboc, D, Kurtz, D.M.
登録日2019-06-07
公開日2020-05-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of a Zinc Porphyrin-Substituted Bacterioferritin and Photophysical Properties of Iron Reduction.
Biochemistry, 59, 2020
6PC9
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BU of 6pc9 by Molmil
Crystal Structure of EcDsbA in a complex with purified methylpiperazinone 6
分子名称: 2-methyl-4-{4-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]phenoxy}benzonitrile, TRIETHYLENE GLYCOL, Thiol:disulfide interchange protein DsbA
著者Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J.
登録日2019-06-17
公開日2020-05-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX).
J.Med.Chem., 63, 2020
6PH7
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BU of 6ph7 by Molmil
Crystal structure of bovine opsin with nerol bound
分子名称: (2Z)-3,7-dimethylocta-2,6-dien-1-ol, G protein CT2 peptide, PALMITIC ACID, ...
著者Eger, B.T, Morizumi, T, Ernst, O.P.
登録日2019-06-25
公開日2020-07-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.902 Å)
主引用文献Odorant-binding site in visual opsin
To Be Published
6VI4
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BU of 6vi4 by Molmil
Nanobody-Enabled Monitoring of Kappa Opioid Receptor States
分子名称: (3R)-7-hydroxy-N-{(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide, CHOLESTEROL, Kappa opioid receptor, ...
著者Che, T, Roth, B.L.
登録日2020-01-11
公開日2020-03-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Nanobody-enabled monitoring of kappa opioid receptor states.
Nat Commun, 11, 2020
7OGL
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BU of 7ogl by Molmil
A cooperative PNPase-Hfq-RNA carrier complex facilitates bacterial riboregulation. apo-PNPase
分子名称: Polyribonucleotide nucleotidyltransferase
著者Dendooven, T, Sinha, D, Roesoleva, A, Cameron, T.A, De Lay, N, Luisi, B.F, Bandyra, K.
登録日2021-05-06
公開日2021-07-07
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献A cooperative PNPase-Hfq-RNA carrier complex facilitates bacterial riboregulation.
Mol.Cell, 81, 2021
6CCZ
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BU of 6ccz by Molmil
Crystal structure of Medicago truncatula serine hydroxymethyltransferase 3 (MtSHMT3) soaked with selenourea
分子名称: ACETATE ION, FORMIC ACID, Serine hydroxymethyltransferase, ...
著者Ruszkowski, M, Sekula, B, Ruszkowska, A, Dauter, Z.
登録日2018-02-07
公開日2018-05-23
最終更新日2018-06-20
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Chloroplastic Serine Hydroxymethyltransferase FromMedicago truncatula: A Structural Characterization.
Front Plant Sci, 9, 2018
7OGK
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BU of 7ogk by Molmil
A cooperative PNPase-Hfq-RNA carrier complex facilitates bacterial riboregulation. PNPase-3'ETS(leuZ)
分子名称: 3'ETS(LeuZ), Polyribonucleotide nucleotidyltransferase
著者Dendooven, T, Sinha, D, Roesoleva, A, Cameron, T.A, De Lay, N, Luisi, B.F, Bandyra, K.
登録日2021-05-06
公開日2021-07-07
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献A cooperative PNPase-Hfq-RNA carrier complex facilitates bacterial riboregulation.
Mol.Cell, 81, 2021
6VSD
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BU of 6vsd by Molmil
Mycobacterium tuberculosis dihydrofolate reductase in complex with 3-((thiophen-2-ylthio)methyl)benzoic acid (fragment 13)
分子名称: 3-(thiophen-2-ylsulfanylmethyl)benzoic acid, COBALT (II) ION, Dihydrofolate reductase, ...
著者Ribeiro, J.A, Dias, M.V.B.
登録日2020-02-11
公開日2020-07-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.693 Å)
主引用文献Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020

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