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6HH9
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BU of 6hh9 by Molmil
Crystal structure of a two-domain esterase (CEX) active on acetylated mannans co-crystallized with mannopentaose
Descriptor: 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
Authors:Michalak, L, La Rosa, S.L, Rohr, A.K, Aachmann, F.L, Westereng, B.
Deposit date:2018-08-27
Release date:2019-09-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: beta 2 adrenergic receptor
Authors:Imai, S, Shimada, I.
Deposit date:2019-08-21
Release date:2020-01-29
Last modified:2020-04-08
Method:SOLUTION NMR
Cite: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
Descriptor: Galectin-3, alpha-D-galactopyranuronic acid-(1-4)-beta-D-galactopyranuronic acid
Authors:Su, J.
Deposit date:2019-09-10
Release date:2020-08-26
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.23 Å)
Cite: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
Descriptor: 2-[(2-fluorophenyl)amino]-6-propylpyrimidin-4(3H)-one, Nicotinamide phosphoribosyltransferase
Authors:Longenecker, K.L, Raich, D, Korepanova, A.V.
Deposit date:2017-07-18
Release date:2018-01-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.05 Å)
Cite: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
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Calcium-binding protein 1 (EhCBP1), ...
Authors:Kumar, S, Gourinath, S.
Deposit date:2017-05-30
Release date:2017-12-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: Pilosulin-1
Authors:Tseng, T.-S, Chen, C.
Deposit date:2017-02-06
Release date:2017-02-15
Last modified:2024-05-15
Method:SOLUTION NMR
Cite: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
Descriptor: Endoribonuclease MazF4, Probable antitoxin MazE4
Authors:Ahn, D.-H, Lee, K.-Y, Lee, S.J, Yoon, H.J, Kim, S.-J, Lee, B.-J.
Deposit date:2017-03-31
Release date:2017-10-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, ERYTHOSE-4-PHOSPHATE, ...
Authors:Li, T.L, Hsu, N.S, Wang, Y.L.
Deposit date:2017-06-04
Release date:2018-06-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.07 Å)
Cite: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)
Descriptor: SPECTRIN ALPHA CHAIN
Authors:Vega, M.C, Fernandez, A, Wilmanns, M, Serrano, L.
Deposit date:2003-12-18
Release date:2004-02-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: Maltose/maltodextrin-binding periplasmic protein,Mitochondrial import inner membrane translocase subunit TIM21, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Bala, S, Shimada, A, Kohda, D.
Deposit date:2019-06-07
Release date:2019-09-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: beta-D-glucopyranose, glycosylated analogue of Indolicidin
Authors:Dwivedi, R, Aggarwal, P, Kaur, K.J, Bhavesh, N.S.
Deposit date:2018-05-11
Release date:2019-06-19
Last modified:2020-07-29
Method:SOLUTION NMR
Cite: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
Descriptor: Au-VG16KRKP
Authors:Ilyas, H, Bhunia, A.
Deposit date:2017-01-12
Release date:2017-11-15
Last modified:2024-05-15
Method:SOLUTION NMR
Cite: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
Descriptor: Putative uncharacterized protein
Authors:Mi, J.
Deposit date:2016-11-29
Release date:2017-01-25
Last modified:2024-05-15
Method:SOLUTION NMR
Cite: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
Descriptor: Kappa-theraphotoxin-Aa1a
Authors:Chin, Y.K.Y, Ma, L, King, G.F.
Deposit date:2017-07-28
Release date:2018-08-01
Last modified:2023-06-14
Method:SOLUTION NMR
Cite: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
Descriptor: SPRY domain-containing SOCS box protein 2, cR8 peptide from NOS2
Authors:You, T, Kuang, Z.
Deposit date:2017-05-17
Release date:2017-06-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.34 Å)
Cite: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
Descriptor: Endoribonuclease MazF4
Authors:Ahn, D.-H, Lee, K.-Y, Lee, S.J, Yoon, H.J, Kim, S.-J, Lee, B.-J.
Deposit date:2017-03-31
Release date:2017-10-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.01 Å)
Cite: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
Descriptor: 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
Authors:Kim, K.-H, Hwang, J, Kim, J.H, Son, K.-P, Jang, Y, Kim, M, Kang, S.-J, Lee, J.-O, Choi, B.-S.
Deposit date:2019-09-20
Release date:2020-09-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3 Å)
Cite: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
Descriptor: BPa0997 N-ter E361S, CHLORIDE ION, SODIUM ION, ...
Authors:Basle, A, Cartmell, A, Labourel, A, Gilbert, H.
Deposit date:2018-10-23
Release date:2019-03-20
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: 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')
Authors:Campagne, S, Allain, F.H.
Deposit date:2018-09-12
Release date:2019-08-14
Last modified:2024-06-19
Method:SOLUTION NMR
Cite: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
Descriptor: LYS-LEU-LEU-LYS-LEU-LEU-LYS-LYS-LEU-LEU-LYS-LEU-LEU-LYS-NHE
Authors:Schneider, G, Blatter, M, Mueller, A.
Deposit date:2018-09-14
Release date:2018-10-24
Last modified:2023-06-14
Method:SOLUTION NMR
Cite: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
Descriptor: Urotensin-2 receptor
Authors: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.
Deposit date:2018-10-11
Release date:2019-10-30
Last modified:2023-06-14
Method:SOLUTION NMR
Cite: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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BU of 6hn9 by Molmil
Nicomicin-1 -- Novel antimicrobial peptides from the Arctic polychaeta Nicomache minor provide new molecular insight into biological role of the BRICHOS domain
Descriptor: Nicomicin-1
Authors:Panteleev, P.V, Tsarev, A.V, Bolosov, I.A, Paramonov, A.S, Marggraf, M.B, Sychev, S.V, Shenkarev, Z.O, Ovchinnikova, T.V.
Deposit date:2018-09-14
Release date:2018-11-07
Last modified:2023-06-14
Method:SOLUTION NMR
Cite: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
Descriptor: GLY-LEU-PHE-ASP-ILE-VAL-LYS-LYS-VAL-LEU-LYS-LEU-LEU-LYS-NHE
Authors:Schneider, G, Blatter, M, Mueller, A.
Deposit date:2018-09-14
Release date:2018-10-24
Last modified:2023-06-14
Method:SOLUTION NMR
Cite: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
Descriptor: 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, ...
Authors:Li, T.L, Hsu, N.S, Wang, Y.L.
Deposit date:2017-06-16
Release date:2018-06-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.06 Å)
Cite: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
Descriptor: 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, ...
Authors:Li, T.L, Hsu, N.S, Wang, Y.L.
Deposit date:2017-06-22
Release date:2018-06-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Evidence of Diradicals Involved in the Yeast Transketolase Catalyzed Keto-Transferring Reactions.
Chembiochem, 19, 2018

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