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7OMK
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BU of 7omk by Molmil
The NMR structure of the Zf-GRF domains from the mouse Endonuclease VIII-LIKE 3 (mNEIL3)
分子名称: Endonuclease 8-like 3
著者Dinesh, D.C, Huskova, A, Srb, P, Veverka, V, Silhan, J.
登録日2021-05-24
公開日2022-06-01
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Model of abasic site DNA cross-link repair; from the architecture of NEIL3 DNA binding domains to the X-structure model.
Nucleic Acids Res., 50, 2022
4FCG
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BU of 4fcg by Molmil
Structure of the leucine-rich repeat domain of the type III effector XCV3220 (XopL)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, PHOSPHATE ION, ...
著者Singer, A.U, Xu, X, Cui, H, Zimmerman, M.D, Minor, W, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
登録日2012-05-24
公開日2012-06-13
最終更新日2022-04-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the leucine-rich repeat domain of the type III effector XCV3220 (XopL)
To be Published
7P5G
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BU of 7p5g by Molmil
NMR structure of a peptide deriving from SARS-CoV-2 S RBD 482-506 fragment in HFIP/H2O
分子名称: Spike glycoprotein
著者Santoro, A, Buonocore, M, Grimaldi, M, D'Ursi, A.M.
登録日2021-07-14
公開日2022-07-27
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Structural analysis of a simplified model reproducing SARS-CoV-2 S RBD/ACE2 binding site.
Heliyon, 8, 2022
4RK2
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BU of 4rk2 by Molmil
Crystal structure of sugar transporter RHE_PF00321 from Rhizobium etli, target EFI-510806, an open conformation
分子名称: ACETATE ION, CHLORIDE ION, Putative sugar ABC transporter, ...
著者Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Siedel, R.D, Hillerich, B, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-10-11
公開日2014-11-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of Sugar Transporter RHE_Pf00321 from Rhizobium Etli, Target EFI-510806
To be Published
4RKR
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Crystal structure of LacI family transcriptional regulator from Arthrobacter sp. FB24, target EFI-560007, complex with lactose
分子名称: Transcriptional regulator, LacI family, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose
著者Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Siedel, R.D, Hillerich, B, Love, J, Whalen, K.L, Gerlt, J.A, Burley, S.K, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-10-13
公開日2014-11-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of LacI Transcriptional Regulator PurR from Arthrobacter Sp, Target Nysgxrc 11027R
To be Published
7P5S
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BU of 7p5s by Molmil
NMR structure of a peptide deriving from SARS-CoV-2 Lineages P.1 and B.1.351 S RBD 482-506 fragment in HFIP/H2O
分子名称: Spike glycoprotein
著者Santoro, A, Buonocore, M, Grimaldi, M, D'Ursi, A.M.
登録日2021-07-14
公開日2022-07-27
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Structural analysis of a simplified model reproducing SARS-CoV-2 S RBD/ACE2 binding site.
Heliyon, 8, 2022
7P2O
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BU of 7p2o by Molmil
NMR solution structure of SUD-C domain of SARS-CoV-2
分子名称: Non-structural protein 3
著者Gallo, A, Tsika, A.C, Fourkiotis, N.K, Spyroulias, G.A.
登録日2021-07-06
公開日2022-07-20
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献NMR solution structure of SUD-C domain of SARS-CoV-2
To Be Published
5I00
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BU of 5i00 by Molmil
tRNA guanine transglycosylase (TGT) in co-crystallized complex with 6-amino-4-{2-[(cyclopentylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
分子名称: 1,2-ETHANEDIOL, 6-amino-4-{2-[(cyclopentylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, CHLORIDE ION, ...
著者Ehrmann, F.R, Heine, A, Klebe, G.
登録日2016-02-03
公開日2017-02-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Co-crystallization, Isothermal titration calorimetry and nanoESI-MS reveal dimer disturbing inhibitors
To be Published
5I0H
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BU of 5i0h by Molmil
Crystal structure of myosin X motor domain in pre-powerstroke state
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, ...
著者Isabet, T, Blanc, F, Sweeney, H.L, Houdusse, A.
登録日2016-02-04
公開日2016-09-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The myosin X motor is optimized for movement on actin bundles.
Nat Commun, 7, 2016
4RMJ
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BU of 4rmj by Molmil
Human Sirt2 in complex with ADP ribose and nicotinamide
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-2, ...
著者Rumpf, T, Schiedel, M, Karaman, B, Roessler, C, North, B.J, Lehotzky, A, Olah, J, Ladwein, K.I, Schmidtkunz, K, Gajer, M, Pannek, M, Steegborn, C, Sinclair, D.A, Gerhardt, S, Ovadi, J, Schutkowski, M, Sippl, W, Einsle, O, Jung, M.
登録日2014-10-21
公開日2015-02-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Selective Sirt2 inhibition by ligand-induced rearrangement of the active site.
Nat Commun, 6, 2015
5I07
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BU of 5i07 by Molmil
tRNA guanine Transglycosylase (TGT) in co-crystallized complex with 6-Amino-4-(2-phenylethyl)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
分子名称: 1,2-ETHANEDIOL, 6-AMINO-4-(2-PHENYLETHYL)-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE, GLYCEROL, ...
著者Ehrmann, F.R, Nguyen, D, Heine, A, Klebe, G.
登録日2016-02-03
公開日2017-02-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Co-crystallization, Isothermal titration calorimetry and nanoESI-MS reveal dimer disturbing inhibitors
To be Published
4RSH
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BU of 4rsh by Molmil
Structure of a putative lipolytic protein of G-D-S-L family from Desulfitobacterium hafniense DCB-2
分子名称: CHLORIDE ION, Lipolytic protein G-D-S-L family
著者Filippova, E.V, Wawrzak, Z, Minasov, G, Kiryukhina, O, Endres, M, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
登録日2014-11-07
公開日2014-11-19
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Structure of a putative lipolytic protein of G-D-S-L family from Desulfitobacterium hafniense DCB-2
To be Published
5I48
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BU of 5i48 by Molmil
Erwinia chrysanthemi L-asparaginase A31I + E63Q mutation + Aspartic acid
分子名称: ASPARTIC ACID, L-asparaginase
著者Nguyen, H.A, Lavie, A.
登録日2016-02-11
公開日2016-07-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Design and Characterization of Erwinia Chrysanthemi l-Asparaginase Variants with Diminished l-Glutaminase Activity.
J.Biol.Chem., 291, 2016
4S2Y
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BU of 4s2y by Molmil
Structure of E. coli RppH bound to RNA and three magnesium ions
分子名称: CHLORIDE ION, MAGNESIUM ION, RNA (5'-R(*(APC)*GP*U)-3'), ...
著者Vasilyev, N, Serganov, A.
登録日2015-01-23
公開日2015-02-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structures of RNA Complexes with the Escherichia coli RNA Pyrophosphohydrolase RppH Unveil the Basis for Specific 5'-End-dependent mRNA Decay.
J.Biol.Chem., 290, 2015
5JBL
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BU of 5jbl by Molmil
Structure of the bacteriophage T4 capsid assembly protease, gp21.
分子名称: Prohead core protein protease
著者Fokine, A, Rossmann, M.G.
登録日2016-04-13
公開日2016-12-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.943 Å)
主引用文献Common Evolutionary Origin of Procapsid Proteases, Phage Tail Tubes, and Tubes of Bacterial Type VI Secretion Systems.
Structure, 24, 2016
7PJF
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BU of 7pjf by Molmil
Inhibiting parasite proliferation using a rationally designed anti-tubulin agent
分子名称: Designed ankyrin repeat protein (DARPIN) D1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Sharma, A, Gaillard, N, Ehrhard, V.A, Steinmetz, M.O.
登録日2021-08-24
公開日2021-09-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.862 Å)
主引用文献Inhibiting parasite proliferation using a rationally designed anti-tubulin agent.
Embo Mol Med, 13, 2021
2KIR
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BU of 2kir by Molmil
Solution structure of a designer toxin, mokatoxin-1
分子名称: Designer toxin
著者Biancalana, M, Koide, A, Takacs, Z, Goldstein, S, Koide, S.
登録日2009-05-07
公開日2009-12-29
最終更新日2022-03-16
実験手法SOLUTION NMR
主引用文献A designer ligand specific for Kv1.3 channels from a scorpion neurotoxin-based library.
Proc.Natl.Acad.Sci.USA, 106, 2009
7PJE
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BU of 7pje by Molmil
Inhibiting parasite proliferation using a rationally designed anti-tubulin agent
分子名称: Darpin D1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Sharma, A, Gaillard, N, Ehrhard, V.A, Steinmetz, M.O.
登録日2021-08-24
公開日2021-09-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Inhibiting parasite proliferation using a rationally designed anti-tubulin agent.
Embo Mol Med, 13, 2021
1CVR
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BU of 1cvr by Molmil
Crystal structure of the Arg specific cysteine proteinase gingipain R (RGPB)
分子名称: CALCIUM ION, D-phenylalanyl-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-L-phenylalaninamide, GINGIPAIN R, ...
著者Eichinger, A, Beisel, H.-G.
登録日1999-08-24
公開日2000-03-01
最終更新日2013-10-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of gingipain R: an Arg-specific bacterial cysteine proteinase with a caspase-like fold.
EMBO J., 18, 1999
5JAI
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BU of 5jai by Molmil
Yersinia pestis FabV variant T276G
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, ...
著者Pschibul, A, Kuper, J, HIrschbeck, M, Kisker, C.
登録日2016-04-12
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia pestis FabV Enoyl-ACP Reductase.
Biochemistry, 55, 2016
4RW5
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BU of 4rw5 by Molmil
Structural insights into substrate binding of brown spider venom class II phospholipases D
分子名称: GLYCEROL, MAGNESIUM ION, N-TRIDECANOIC ACID, ...
著者Coronado, M.A, Ullah, A, da Silva, L.S, Chaves-Moreira, D, Vuitika, L, Chaim, O.M, Veiga, S.S, Chahine, J, Murakami, M.T, Arni, R.K.
登録日2014-12-01
公開日2015-06-03
最終更新日2015-12-16
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Structural Insights into Substrate Binding of Brown Spider Venom Class II Phospholipases D.
Curr Protein Pept Sci, 16, 2015
4TQH
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BU of 4tqh by Molmil
Human transthyretin (TTR) complexed with 3-(9H-fluoren-9-ylideneaminooxy)ethanoic acid
分子名称: 1,2-ETHANEDIOL, Transthyretin, [(9H-fluoren-9-ylideneamino)oxy]acetic acid
著者Ciccone, L, Nencetti, S, Rossello, A, Orlandini, E, Stura, E.A.
登録日2014-06-11
公開日2015-06-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.511 Å)
主引用文献X-ray crystal structure and activity of fluorenyl-based compounds as transthyretin fibrillogenesis inhibitors.
J Enzyme Inhib Med Chem, 2015
4RWE
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BU of 4rwe by Molmil
The crystal structure of a sugar-binding transport protein from Yersinia pestis CO92
分子名称: CHLORIDE ION, GLYCEROL, Sugar-binding transport protein
著者Tan, K, Zhou, M, Clancy, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2014-12-03
公開日2014-12-31
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The crystal structure of a sugar-binding transport protein from Yersinia pestis CO92
To be Published
4RWO
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BU of 4rwo by Molmil
Crystal structure of the porcine OAS1 L149R mutant in complex with dsRNA and ApCpp in the AMP donor position
分子名称: 2'-5'-oligoadenylate synthase 1, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION, ...
著者Lohoefener, J, Steinke, N, Kay-Fedorov, P, Baruch, P, Nikulin, A, Tishchenko, S, Manstein, D.J, Fedorov, R.
登録日2014-12-05
公開日2015-05-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Activation Mechanism of 2'-5'-Oligoadenylate Synthetase Gives New Insights Into OAS/cGAS Triggers of Innate Immunity.
Structure, 23, 2015
5JG7
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BU of 5jg7 by Molmil
Crystal structure of putative periplasmic binding protein from Salmonella typhimurium LT2
分子名称: Fur regulated Salmonella iron transporter, GLYCEROL
著者Chang, C, Zhou, M, Shatsman, S, Joachimiak, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2016-04-19
公開日2016-04-27
最終更新日2016-07-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of putative periplasmic binding protein from Salmonella typhimurium LT2
To Be Published

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