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6HH9
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Crystal structure of a two-domain esterase (CEX) active on acetylated mannans co-crystallized with mannopentaose
分子名称: GDSL-like protein, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose
著者Michalak, L, La Rosa, S.L, Rohr, A.K, Aachmann, F.L, Westereng, B.
登録日2018-08-27
公開日2019-09-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A pair of esterases from a commensal gut bacterium remove acetylations from all positions on complex beta-mannans.
Proc.Natl.Acad.Sci.USA, 117, 2020
6KR8
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BU of 6kr8 by Molmil
Structure of the beta2 adrenergic receptor in the full agonist bound state
分子名称: beta 2 adrenergic receptor
著者Imai, S, Shimada, I.
登録日2019-08-21
公開日2020-01-29
最終更新日2020-04-08
実験手法SOLUTION NMR
主引用文献Structural equilibrium underlying ligand-dependent activation of beta2-adrenoreceptor.
Nat.Chem.Biol., 16, 2020
6KXA
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BU of 6kxa by Molmil
Galectin-3 CRD binds to GalA dimer
分子名称: Galectin-3, alpha-D-galactopyranuronic acid-(1-4)-beta-D-galactopyranuronic acid
著者Su, J.
登録日2019-09-10
公開日2020-08-26
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Topsy-turvy binding of negatively charged homogalacturonan oligosaccharides to galectin-3.
Glycobiology, 31, 2021
5WI0
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BU of 5wi0 by Molmil
Crystal structure of human NAMPT with fragment 2: 2-[(2-fluorophenyl)amino]-6-propylpyrimidin-4(3H)-one
分子名称: 2-[(2-fluorophenyl)amino]-6-propylpyrimidin-4(3H)-one, Nicotinamide phosphoribosyltransferase
著者Longenecker, K.L, Raich, D, Korepanova, A.V.
登録日2017-07-18
公開日2018-01-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Fragment-based discovery of a potent NAMPT inhibitor.
Bioorg. Med. Chem. Lett., 28, 2018
5XOP
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BU of 5xop by Molmil
Crystal Structure of N-terminal domain EhCaBP1 EF-2 mutant
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Calcium-binding protein 1 (EhCBP1), ...
著者Kumar, S, Gourinath, S.
登録日2017-05-30
公開日2017-12-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of calcium binding protein-1 from Entamoeba histolytica: a novel arrangement of EF hand motifs.
Proteins, 68, 2007
5X3L
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BU of 5x3l by Molmil
Solution structure of a novel antimicrobial peptide, P1, from jumper ant Myrmecia pilosula
分子名称: Pilosulin-1
著者Tseng, T.-S, Chen, C.
登録日2017-02-06
公開日2017-02-15
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution structure of a novel antimicrobial peptide, P1, from jumper ant Myrmecia pilosula
To Be Published
5XE3
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BU of 5xe3 by Molmil
Endoribonuclease in complex with its cognate antitoxin from Mycobacterial species
分子名称: Endoribonuclease MazF4, Probable antitoxin MazE4
著者Ahn, D.-H, Lee, K.-Y, Lee, S.J, Yoon, H.J, Kim, S.-J, Lee, B.-J.
登録日2017-03-31
公開日2017-10-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural analyses of the MazEF4 toxin-antitoxin pair in Mycobacterium tuberculosis provide evidence for a unique extracellular death factor.
J. Biol. Chem., 292, 2017
5XPS
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BU of 5xps by Molmil
Crystal Structure of Transketolase in complex with erythrose-4-phosphate from Pichia Stipitis
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, ERYTHOSE-4-PHOSPHATE, ...
著者Li, T.L, Hsu, N.S, Wang, Y.L.
登録日2017-06-04
公開日2018-06-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献Evidence of Diradicals Involved in the Yeast Transketolase Catalyzed Keto-Transferring Reactions.
Chembiochem, 19, 2018
1UUE
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BU of 1uue by Molmil
a-SPECTRIN SH3 DOMAIN (V44T, D48G MUTANT)
分子名称: SPECTRIN ALPHA CHAIN
著者Vega, M.C, Fernandez, A, Wilmanns, M, Serrano, L.
登録日2003-12-18
公開日2004-02-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Solvation in Protein Folding Analysis: Combination of Theoretical and Experimental Approaches
Proc.Natl.Acad.Sci.USA, 101, 2004
6K7F
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BU of 6k7f by Molmil
Crystal structure of MBPholo-Tim21 fusion protein with a 17-residue helical linker
分子名称: Maltose/maltodextrin-binding periplasmic protein,Mitochondrial import inner membrane translocase subunit TIM21, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Bala, S, Shimada, A, Kohda, D.
登録日2019-06-07
公開日2019-09-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal contact-free conformation of an intrinsically flexible loop in protein crystal: Tim21 as the case study.
Biochim Biophys Acta Gen Subj, 1864, 2020
5ZVN
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BU of 5zvn by Molmil
Structure of [beta Glc-T9,K7]indolicidin, a glycosylated analogue of indolicidin
分子名称: beta-D-glucopyranose, glycosylated analogue of Indolicidin
著者Dwivedi, R, Aggarwal, P, Kaur, K.J, Bhavesh, N.S.
登録日2018-05-11
公開日2019-06-19
最終更新日2020-07-29
実験手法SOLUTION NMR
主引用文献Design of therapeutically improved analogue of the antimicrobial peptide, indolicidin, using a glycosylation strategy.
Amino Acids, 51, 2019
5WYE
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BU of 5wye by Molmil
Structure of gold nano particle-tagged VG16KRKP in Salmonella typhi LPS
分子名称: Au-VG16KRKP
著者Ilyas, H, Bhunia, A.
登録日2017-01-12
公開日2017-11-15
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Multivalent gold nanoparticle-peptide conjugates for targeting intracellular bacterial infections
Nanoscale, 9, 2017
5WQZ
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BU of 5wqz by Molmil
Solution structure of a histone binding domain
分子名称: Putative uncharacterized protein
著者Mi, J.
登録日2016-11-29
公開日2017-01-25
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution Structure Of A Histone Binding Domain
To Be Published
5WLX
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BU of 5wlx by Molmil
Solution structure of kappa-theraphotoxin-Aa1a
分子名称: Kappa-theraphotoxin-Aa1a
著者Chin, Y.K.Y, Ma, L, King, G.F.
登録日2017-07-28
公開日2018-08-01
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Novel venom-derived inhibitors of the human EAG channel, a putative antiepileptic drug target.
Biochem. Pharmacol., 158, 2018
5XN3
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BU of 5xn3 by Molmil
Crystal structure of SPSB2 in complex with a rational designed RGD containing cyclic peptide inhibitor of SPSB2-iNOS interaction
分子名称: SPRY domain-containing SOCS box protein 2, cR8 peptide from NOS2
著者You, T, Kuang, Z.
登録日2017-05-17
公開日2017-06-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Crystal structure of SPSB2 in complex with a rational designed RGD-containing cyclic peptide inhibitor of SPSB2-iNOS interaction.
Biochem. Biophys. Res. Commun., 489, 2017
5XE2
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BU of 5xe2 by Molmil
Endoribonuclease from Mycobacterial species
分子名称: Endoribonuclease MazF4
著者Ahn, D.-H, Lee, K.-Y, Lee, S.J, Yoon, H.J, Kim, S.-J, Lee, B.-J.
登録日2017-03-31
公開日2017-10-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structural analyses of the MazEF4 toxin-antitoxin pair in Mycobacterium tuberculosis provide evidence for a unique extracellular death factor.
J. Biol. Chem., 292, 2017
6KYV
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BU of 6kyv by Molmil
Crystal Structure of RIG-I and hairpin RNA with G-U wobble base pairs
分子名称: Probable ATP-dependent RNA helicase DDX58, RNA (5'-R(*GP*GP*UP*AP*GP*AP*CP*GP*CP*UP*UP*CP*GP*GP*CP*GP*UP*UP*UP*GP*CP*C)-3'), ZINC ION
著者Kim, K.-H, Hwang, J, Kim, J.H, Son, K.-P, Jang, Y, Kim, M, Kang, S.-J, Lee, J.-O, Choi, B.-S.
登録日2019-09-20
公開日2020-09-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural and biophysical properties of RIG-I bound to dsRNA with G-U wobble base pairs.
Rna Biol., 17, 2020
6HZG
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BU of 6hzg by Molmil
BP0997, GH138 enzyme targeting pectin rhamnogalacturonan II
分子名称: BPa0997 N-ter E361S, CHLORIDE ION, SODIUM ION, ...
著者Basle, A, Cartmell, A, Labourel, A, Gilbert, H.
登録日2018-10-23
公開日2019-03-20
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural and functional analyses of glycoside hydrolase 138 enzymes targeting chain A galacturonic acid in the complex pectin rhamnogalacturonan II.
J.Biol.Chem., 294, 2019
6HMI
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BU of 6hmi by Molmil
Solution structure of the RNA duplex formed by the 5'-end of U1snRNA and the 5'-splice site of SMN2 exon7
分子名称: RNA (5'-R(*AP*UP*AP*CP*(PSU)P*(PSU)P*AP*CP*CP*UP*G)-3'), RNA (5'-R(*GP*GP*AP*GP*UP*AP*AP*GP*UP*CP*U)-3')
著者Campagne, S, Allain, F.H.
登録日2018-09-12
公開日2019-08-14
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Structural basis of a small molecule targeting RNA for a specific splicing correction.
Nat.Chem.Biol., 15, 2019
6HNG
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BU of 6hng by Molmil
Peptide-membrane interaction between targeting and lysis
分子名称: LYS-LEU-LEU-LYS-LEU-LEU-LYS-LYS-LEU-LEU-LYS-LEU-LEU-LYS-NHE
著者Schneider, G, Blatter, M, Mueller, A.
登録日2018-09-14
公開日2018-10-24
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Peptide-membrane interaction between targeting and lysis
To Be Published
6HVK
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BU of 6hvk by Molmil
Pepducin UT-Pep2 a biased allosteric agonist of Urotensin-II receptor
分子名称: Urotensin-2 receptor
著者Carotenuto, A, Hoang, T.A, Nassour, H, Martin, R.D, Billard, E, Myriam, L, Novellino, E, Tanny, J.C, Fournier, A, Hebert, T.E, Chatenet, D.
登録日2018-10-11
公開日2019-10-30
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Lipidated peptides derived from intracellular loops 2 and 3 of the urotensin II receptor act as biased allosteric ligands.
J.Biol.Chem., 297, 2021
6HN9
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Nicomicin-1 -- Novel antimicrobial peptides from the Arctic polychaeta Nicomache minor provide new molecular insight into biological role of the BRICHOS domain
分子名称: Nicomicin-1
著者Panteleev, P.V, Tsarev, A.V, Bolosov, I.A, Paramonov, A.S, Marggraf, M.B, Sychev, S.V, Shenkarev, Z.O, Ovchinnikova, T.V.
登録日2018-09-14
公開日2018-11-07
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Novel Antimicrobial Peptides from the Arctic PolychaetaNicomache minorProvide New Molecular Insight into Biological Role of the BRICHOS Domain.
Mar Drugs, 16, 2018
6HNE
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BU of 6hne by Molmil
Peptide-membrane interaction between targeting and lysis
分子名称: GLY-LEU-PHE-ASP-ILE-VAL-LYS-LYS-VAL-LEU-LYS-LEU-LEU-LYS-NHE
著者Schneider, G, Blatter, M, Mueller, A.
登録日2018-09-14
公開日2018-10-24
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Peptide-membrane interaction between targeting and lysis
To Be Published
5XT4
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BU of 5xt4 by Molmil
Crystal Structure of Transketolase in complex with TPP intermediate VIII' from Pichia Stipitis
分子名称: 2-C-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium-2-yl}-6-O-phosphono-D-glucitol, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Li, T.L, Hsu, N.S, Wang, Y.L.
登録日2017-06-16
公開日2018-06-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献Evidence of Diradicals Involved in the Yeast Transketolase Catalyzed Keto-Transferring Reactions.
Chembiochem, 19, 2018
5XU2
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BU of 5xu2 by Molmil
Crystal Structure of Transketolase in complex with TPP_III and fructose-6-phosphate from Pichia Stipitis
分子名称: 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2H-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Li, T.L, Hsu, N.S, Wang, Y.L.
登録日2017-06-22
公開日2018-06-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (0.97 Å)
主引用文献Evidence of Diradicals Involved in the Yeast Transketolase Catalyzed Keto-Transferring Reactions.
Chembiochem, 19, 2018

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