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6EGR
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BU of 6egr by Molmil
Crystal structure of Citrobacter freundii methionine gamma-lyase with V358Y replacement
分子名称: DI(HYDROXYETHYL)ETHER, Methionine gamma-lyase, PYRIDOXAL-5'-PHOSPHATE, ...
著者Revtovich, S.V, Demitri, N, Raboni, S, Nikulin, A.D, Morozova, E.A, Demidkina, T.V, Storici, P, Mozzarelli, A.
登録日2017-09-12
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Engineering methionine gamma-lyase from Citrobacter freundii for anticancer activity.
Biochim Biophys Acta Proteins Proteom, 1866, 2018
1NJN
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BU of 1njn by Molmil
The crystal structure of the 50S Large ribosomal subunit from Deinococcus radiodurans complexed with the antibiotic sparsomycin
分子名称: 23S ribosomal RNA, SPARSOMYCIN
著者Bashan, A, Agmon, I, Zarivatch, R, Schluenzen, F, Harms, J.M, Berisio, R, Bartels, H, Hansen, H.A, Yonath, A.
登録日2003-01-02
公開日2003-02-11
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Structural basis of the ribosomal machinery for Peptide bond formation, translocation, and nascent chain progression
Mol.Cell, 11, 2003
8FR7
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BU of 8fr7 by Molmil
A hinge glycan regulates spike bending and impacts coronavirus infectivity
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Pintilie, G, Wilson, E, Chmielewski, D, Schmid, M.F, Jin, J, Chen, M, Singharoy, A, Chiu, W.
登録日2023-01-06
公開日2023-10-04
実験手法ELECTRON MICROSCOPY (3.39 Å)
主引用文献A hinge glycan regulates spike bending and impacts coronavirus infectivity
To Be Published
3QTD
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BU of 3qtd by Molmil
Crystal structure of putative modulator of gyrase (PmbA) from Pseudomonas aeruginosa PAO1
分子名称: GLYCEROL, PmbA protein
著者Tkaczuk, K.L, Chruszcz, M, Evdokimova, E, Liu, F, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
登録日2011-02-22
公開日2011-03-30
最終更新日2022-04-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of putative modulator of gyrase (PmbA) from Pseudomonas aeruginosa PAO1
To be Published
4XA9
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BU of 4xa9 by Molmil
Crystal structure of the complex between the N-terminal domain of RavJ and LegL1 from Legionella pneumophila str. Philadelphia
分子名称: Gala protein type 1, 3 or 4, Uncharacterized protein
著者Stogios, P.J, Cuff, M.E, Nocek, B, Evdokimova, E, Di Leo, R, Yim, V, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2014-12-13
公開日2015-01-28
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Diverse mechanisms of metaeffector activity in an intracellular bacterial pathogen, Legionella pneumophila.
Mol. Syst. Biol., 12, 2016
8FEC
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BU of 8fec by Molmil
Structure of J-PKAc chimera complexed with Aplithianine derivative
分子名称: 6-[(6P)-6-(4-bromo-1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-7H-purine, DnaJ homolog subfamily B member 1,cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
著者Du, L, Wilson, B.A.P, Li, N, Martinez Fiesco, J.A, Dalilian, M, Wang, D, Smith, E.A, Wamiru, A, Goncharova, E.I, Zhang, P, O'Keefe, B.R.
登録日2022-12-06
公開日2023-10-18
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery and Synthesis of a Naturally Derived Protein Kinase Inhibitor that Selectively Inhibits Distinct Classes of Serine/Threonine Kinases.
J.Nat.Prod., 86, 2023
7A4X
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BU of 7a4x by Molmil
tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with dimethyl sulfoxide
分子名称: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Nguyen, D, Nguyen, T.X.P, Heine, A, Klebe, G.
登録日2020-08-20
公開日2021-06-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface.
Acs Chem.Biol., 16, 2021
7ADN
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BU of 7adn by Molmil
apo tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant
分子名称: FORMIC ACID, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
著者Nguyen, D, You, S, Heine, A, Klebe, G.
登録日2020-09-15
公開日2021-06-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface.
Acs Chem.Biol., 16, 2021
7A3V
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BU of 7a3v by Molmil
tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with 3-hydroxysulfolane
分子名称: 1,2-ETHANEDIOL, 3-hydroxythietane-1,1-dioxide, GLYCEROL, ...
著者Nguyen, D, Heine, A, Klebe, G.
登録日2020-08-18
公開日2021-06-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface.
Acs Chem.Biol., 16, 2021
8QG0
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BU of 8qg0 by Molmil
Archaeoglobus fulgidus AfAgo complex with AfAgo-N protein (fAfAgo) bound with 17 nt RNA guide and 17 nt DNA target
分子名称: AfAgo-N protein, DNA target 17 nt, Piwi protein, ...
著者Manakova, E.N, Zaremba, M, Pocevicuite, R, Golovinas, E, Zagorskaite, E, Silanskas, A.
登録日2023-09-05
公開日2024-01-24
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.43 Å)
主引用文献The missing part: the Archaeoglobus fulgidus Argonaute forms a functional heterodimer with an N-L1-L2 domain protein.
Nucleic Acids Res., 52, 2024
2YAD
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BU of 2yad by Molmil
BRICHOS domain of Surfactant protein C precursor protein
分子名称: SURFACTANT PROTEIN C BRICHOS DOMAIN
著者Askarieh, G, Siponen, M.I, Willander, H, Landreh, M, Westermark, P, Nordling, K, Keranen, H, Hermansson, E, Hamvas, A, Nogee, L.M, Bergman, T, Saenz, A, Casals, C, Aqvist, J, Jornvall, H, Presto, J, Johansson, J, Arrowsmith, C.H, Bountra, C, Collins, R, Edwards, A.M, Ekblad, T, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kol, S, Kotenyova, T, Kouznetsova, E, Moche, M, Nyman, T, Nordlund, P, Persson, C, Schuler, H, Thorsell, A.G, Tresaugues, L, van den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Berglund, H, Knight, S.D.
登録日2011-02-18
公開日2012-02-15
最終更新日2014-08-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献High Resolution Structure of a Bricos Domain and its Implications for Anti-Amyloid Chaperone Activity on Lung Surgactant Protein C.
Proc.Natl.Acad.Sci.USA, 109, 2012
8FE2
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BU of 8fe2 by Molmil
Structure of J-PKAc chimera complexed with Aplithianine A
分子名称: 6-[(6M)-6-(1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-9H-purine, DnaJ homolog subfamily B member 1, cAMP-dependent protein kinase catalytic subunit alpha, ...
著者Du, L, Wilson, B.A.P, Li, N, Dalilian, M, Wang, D, Martinez Fiesco, J.A, Smith, E.A, Wamiru, A, Goncharova, E.I, Zhang, P, O'Keefe, B.R.
登録日2022-12-05
公開日2023-10-18
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Discovery and Synthesis of a Naturally Derived Protein Kinase Inhibitor that Selectively Inhibits Distinct Classes of Serine/Threonine Kinases.
J.Nat.Prod., 86, 2023
3EDG
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BU of 3edg by Molmil
Crystal structure of bone morphogenetic protein 1 protease domain
分子名称: ACETYL GROUP, Bone morphogenetic protein 1, ZINC ION
著者Mac Sweeney, A.
登録日2008-09-03
公開日2008-09-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Structural basis for the substrate specificity of bone morphogenetic protein 1/tolloid-like metalloproteases
To be Published
7A3X
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BU of 7a3x by Molmil
tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with sulfolane
分子名称: GLYCEROL, Queuine tRNA-ribosyltransferase, ZINC ION, ...
著者Nguyen, D, Heine, A, Klebe, G.
登録日2020-08-18
公開日2021-06-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface.
Acs Chem.Biol., 16, 2021
7A6D
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BU of 7a6d by Molmil
tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with rac-trans-4,4-difluorocyclopentane-1,2-diol
分子名称: (1~{R},2~{R})-4,4-bis(fluoranyl)cyclopentane-1,2-diol, 1,2-ETHANEDIOL, GLYCEROL, ...
著者Nguyen, D, Heine, A, Klebe, G.
登録日2020-08-25
公開日2021-06-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface.
Acs Chem.Biol., 16, 2021
8PVV
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BU of 8pvv by Molmil
Archaeoglobus fulgidus AfAgo complex with AfAgo-N protein (fAfAgo) bound with 30 nt RNA guide and 51 nt DNA target
分子名称: Archaeoglobus fulgidus AfAgo-N protein, DNA (51-MER), MAGNESIUM ION, ...
著者Manakova, E.N, Zaremba, M, Pocevicuite, R, Golovinas, E, Sasnauskas, G, Zagorskaite, E, Silanskas, A.
登録日2023-07-18
公開日2024-01-24
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.81 Å)
主引用文献The missing part: the Archaeoglobus fulgidus Argonaute forms a functional heterodimer with an N-L1-L2 domain protein.
Nucleic Acids Res., 52, 2024
7A4K
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BU of 7a4k by Molmil
tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with tetramethylene sulfoxide
分子名称: GLYCEROL, Queuine tRNA-ribosyltransferase, ZINC ION, ...
著者Nguyen, D, Heine, A, Klebe, G.
登録日2020-08-19
公開日2021-06-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface.
Acs Chem.Biol., 16, 2021
7A0B
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BU of 7a0b by Molmil
tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with rac-trans-3,4-dihydroxysulfolane
分子名称: (3~{R},4~{R})-1,1-bis(oxidanylidene)thiolane-3,4-diol, 1,2-ETHANEDIOL, GLYCEROL, ...
著者Nguyen, D, Heine, A, Klebe, G.
登録日2020-08-07
公開日2021-06-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface.
Acs Chem.Biol., 16, 2021
7A9E
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BU of 7a9e by Molmil
tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with ethyl methyl sulfone
分子名称: 1,2-ETHANEDIOL, 1-methylsulfonylethane, GLYCEROL, ...
著者Nguyen, D, You, S, Heine, A, Klebe, G.
登録日2020-09-01
公開日2021-06-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface.
Acs Chem.Biol., 16, 2021
3R0I
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BU of 3r0i by Molmil
IspC in complex with an N-methyl-substituted hydroxamic acid
分子名称: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, MANGANESE (II) ION, {(1S)-1-(3,4-difluorophenyl)-4-[hydroxy(methyl)amino]-4-oxobutyl}phosphonic acid
著者Behrendt, C.T, Kunfermann, A, Illarionova, V, Matheeussen, A, Pein, M.K, Graewert, T, Bacher, A, Eisenreich, W, Illarionov, B, Fischer, M, Maes, L, Groll, M, Kurz, T.
登録日2011-03-08
公開日2011-09-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Reverse Fosmidomycin Derivatives against the Antimalarial Drug Target IspC (Dxr).
J.Med.Chem., 54, 2011
8Q0R
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BU of 8q0r by Molmil
X-ray structure of MNEI mutant Mut9 (E23A, C41A, Y65R, S76Y)
分子名称: ACETATE ION, Monellin chain B,Monellin chain A, SULFATE ION
著者Ferraro, G, Merlino, A, Lucignano, R, Picone, D.
登録日2023-07-29
公開日2024-02-07
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural insights and aggregation propensity of a super-stable monellin mutant: A new potential building block for protein-based nanostructured materials.
Int.J.Biol.Macromol., 254, 2024
4E3Q
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BU of 4e3q by Molmil
PMP-bound form of Aminotransferase crystal structure from Vibrio fluvialis
分子名称: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, BENZAMIDINE, Pyruvate transaminase, ...
著者Midelfort, K.S, Kumar, R, Han, S, Karmilowicz, M.J, McConnell, K, Gehlhaar, D.K, Mistry, A, Chang, J.S, Anderson, M, Vilalobos, A, Minshull, J, Govindarajan, S, Wong, J.W.
登録日2012-03-10
公開日2012-10-10
最終更新日2013-01-02
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Redesigning and characterizing the substrate specificity and activity of Vibrio fluvialis aminotransferase for the synthesis of imagabalin.
Protein Eng.Des.Sel., 26, 2013
8Q0S
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BU of 8q0s by Molmil
X-ray structure of the single chain monellin derivative MNEI
分子名称: ACETATE ION, GLYCEROL, Monellin chain B,Monellin chain A, ...
著者Ferraro, G, Merlino, A, Lucignano, R, Picone, D.
登録日2023-07-29
公開日2024-02-07
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Structural insights and aggregation propensity of a super-stable monellin mutant: A new potential building block for protein-based nanostructured materials.
Int.J.Biol.Macromol., 254, 2024
1NAS
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BU of 1nas by Molmil
SEPIAPTERIN REDUCTASE COMPLEXED WITH N-ACETYL SEROTONIN
分子名称: N-ACETYL SEROTONIN, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, OXALOACETATE ION, ...
著者Auerbach, G, Herrmann, A, Bacher, A, Huber, R.
登録日1998-03-26
公開日1999-03-30
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The 1.25 A crystal structure of sepiapterin reductase reveals its binding mode to pterins and brain neurotransmitters.
EMBO J., 16, 1997
8FTT
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BU of 8ftt by Molmil
Crystal structure of a glycosylase specific nanobody
分子名称: Anti-NEIL1 Nanobody, SULFATE ION
著者Thompson, M.K, Prakash, A.
登録日2023-01-13
公開日2023-10-11
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Deciphering the orthorhombic crystal structure of a novel NEIL1 nanobody with pseudo-merohedral twinning.
Biorxiv, 2023

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