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4S2Y
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BU of 4s2y by Molmil
Structure of E. coli RppH bound to RNA and three magnesium ions
Descriptor: CHLORIDE ION, MAGNESIUM ION, RNA (5'-R(*(APC)*GP*U)-3'), ...
Authors:Vasilyev, N, Serganov, A.
Deposit date:2015-01-23
Release date:2015-02-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
4TSX
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BU of 4tsx by Molmil
HIV-1 Integrase Catalytic Core Domain Mutant Complexed with Allosteric Inhibitor
Descriptor: (2S)-tert-butoxy[4-(3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid, Integrase, SULFATE ION
Authors:Feng, L, Kvaratskhelia, M.
Deposit date:2014-06-19
Release date:2014-12-17
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:The mechanism of H171T resistance reveals the importance of N -protonated His171 for the binding of allosteric inhibitor BI-D to HIV-1 integrase.
Retrovirology, 11, 2014
5YLA
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BU of 5yla by Molmil
Crystal structure of a dimeric peptidyl-tRNA hydrolase from Acinetobacter baumannii at 1.67 A resolution
Descriptor: Peptidyl-tRNA hydrolase
Authors:Singh, P.K, Sharma, P, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2017-10-17
Release date:2017-11-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Crystal structure of a dimeric peptidyl-tRNA hydrolase from Acinetobacter baumannii at 1.67 A resolution
To Be Published
4TQH
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BU of 4tqh by Molmil
Human transthyretin (TTR) complexed with 3-(9H-fluoren-9-ylideneaminooxy)ethanoic acid
Descriptor: 1,2-ETHANEDIOL, Transthyretin, [(9H-fluoren-9-ylideneamino)oxy]acetic acid
Authors:Ciccone, L, Nencetti, S, Rossello, A, Orlandini, E, Stura, E.A.
Deposit date:2014-06-11
Release date:2015-06-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.511 Å)
Cite:X-ray crystal structure and activity of fluorenyl-based compounds as transthyretin fibrillogenesis inhibitors.
J Enzyme Inhib Med Chem, 2015
4TRK
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BU of 4trk by Molmil
Structure of C. elegans HIM-3
Descriptor: C. elegans HIM-3
Authors:Rosenberg, S.C, Corbett, K.D.
Deposit date:2014-06-17
Release date:2014-11-19
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.751 Å)
Cite:The Chromosome Axis Controls Meiotic Events through a Hierarchical Assembly of HORMA Domain Proteins.
Dev.Cell, 31, 2014
5YGI
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BU of 5ygi by Molmil
Crystal structure of human FPPS in complex with an inhibitor THZ93
Descriptor: Farnesyl pyrophosphate synthase, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Li, X.
Deposit date:2017-09-23
Release date:2018-09-26
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.177 Å)
Cite:The Mevalonate Pathway Is a Druggable Target for Vaccine Adjuvant Discovery.
Cell, 175, 2018
4RNC
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BU of 4rnc by Molmil
Crystal structure of an esterase RhEst1 from Rhodococcus sp. ECU1013
Descriptor: Esterase, PHOSPHATE ION
Authors:Dou, S, Kong, X.D, Xu, J.H, Zhou, J.
Deposit date:2014-10-23
Release date:2015-10-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Substrate channel evolution of an esterase for the synthesis of Cilastatin
CATALYSIS SCIENCE AND TECHNOLOGY, 5, 2015
7OR4
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BU of 7or4 by Molmil
Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, B142
Descriptor: Dipeptidyl peptidase 8, methyl 3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonyl-5-[(2-ethyl-2-methanoyl-butanoyl)amino]benzoate, trimethylamine oxide
Authors:Ross, B, Huber, R.
Deposit date:2021-06-04
Release date:2021-07-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Chemoproteomics-Enabled Identification of 4-Oxo-beta-Lactams as Inhibitors of Dipeptidyl Peptidases 8 and 9.
Angew.Chem.Int.Ed.Engl., 61, 2022
7OZ7
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BU of 7oz7 by Molmil
Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, L84
Descriptor: Dipeptidyl peptidase 8, trimethylamine oxide, ~{N}-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-2-ethyl-2-methanoyl-butanamide
Authors:Ross, B, Huber, R.
Deposit date:2021-06-26
Release date:2021-07-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Chemoproteomics-Enabled Identification of 4-Oxo-beta-Lactams as Inhibitors of Dipeptidyl Peptidases 8 and 9.
Angew.Chem.Int.Ed.Engl., 61, 2022
4RYW
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BU of 4ryw by Molmil
Crystal structure of the photoconverted green fluorescent protein NowGFP_conv (the variant of cyan Cerulean) at pH 7.0
Descriptor: GLYCEROL, NowGFP_conv
Authors:Pletnev, V.Z, Pletneva, N.V, Pletnev, S.V.
Deposit date:2014-12-17
Release date:2015-09-02
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of the green fluorescent protein NowGFP with an anionic tryptophan-based chromophore.
Acta Crystallogr.,Sect.D, 71, 2015
7OW0
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BU of 7ow0 by Molmil
1.55 A crystal structure of DNA/2'-O-methyl-RNA heteroduplex with overhangs solved by Zn-SAD.
Descriptor: DNA (5'-D(*TP*CP*TP*CP*CP*TP*AP*GP*G)-3'), RNA (5'-R(*(OMC)P*(OMU)P*(A2M)P*(OMG)P*(OMG)P*(A2M)P*(OMG)P*(A2M)P*(OMC))-3'), ZINC ION
Authors:Dolot, R.M, Maciaszek, A, Nawrot, B.C.
Deposit date:2021-06-15
Release date:2021-07-14
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:First High-Resolution Crystal Structures of DNA:2'-O-Methyl-RNA Heteroduplexes
Crystals, 2022
7OS9
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BU of 7os9 by Molmil
Crystal Structure of Domain Swapped Trp Repressor V58I Variant with purification tag
Descriptor: IMIDAZOLE, Trp operon repressor
Authors:Sprenger, J, Lawson, C.L, Lo Leggio, L, Von Wachenfeldt, C, Carey, J.
Deposit date:2021-06-08
Release date:2021-07-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal structures of Val58Ile tryptophan repressor in a domain-swapped array in the presence and absence of L-tryptophan.
Acta Crystallogr.,Sect.F, 77, 2021
4S2V
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BU of 4s2v by Molmil
E. coli RppH structure, KI soak
Descriptor: ACETATE ION, CALCIUM ION, IODIDE ION, ...
Authors:Vasilyev, N, Serganov, A.
Deposit date:2015-01-23
Release date:2015-02-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
7ONU
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BU of 7onu by Molmil
Structure of human mitochondrial RNase P in complex with mitochondrial pre-tRNA-Tyr
Descriptor: 3-hydroxyacyl-CoA dehydrogenase type-2, MAGNESIUM ION, Mitochondrial Precursor tRNA-Tyr, ...
Authors:Bhatta, A, Dienemann, C, Cramer, P, Hillen, H.S.
Deposit date:2021-05-26
Release date:2021-08-11
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis of RNA processing by human mitochondrial RNase P.
Nat.Struct.Mol.Biol., 28, 2021
4U0U
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BU of 4u0u by Molmil
Wild type eukaryotic fic domain containing protein with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Adenosine monophosphate-protein transferase FICD, MAGNESIUM ION, ...
Authors:Cole, A.R, Bunney, T.D, Katan, M.
Deposit date:2014-07-14
Release date:2014-12-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Crystal structure of the human, FIC-domain containing protein HYPE and implications for its functions.
Structure, 22, 2014
5YLK
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BU of 5ylk by Molmil
Complex structure of GH 113 family beta-1,4-mannanase with mannobiose
Descriptor: beta-1,4-mannanase, beta-D-mannopyranose, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose
Authors:Jiang, Z.Q, You, X, Yang, S.Q, Huang, P, Ma, J.W.
Deposit date:2017-10-17
Release date:2018-06-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structural insights into the catalytic mechanism of a novel glycoside hydrolase family 113 beta-1,4-mannanase fromn Amphibacillus xylanus
J. Biol. Chem., 293, 2018
4UAF
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BU of 4uaf by Molmil
Importin alpha 1 delta IBB in complex with Influenza PB2 nuclear localization domain
Descriptor: Importin subunit alpha-1, PHOSPHATE ION, Polymerase basic protein 2
Authors:Pumroy, R.A, Cingolani, G.
Deposit date:2014-08-08
Release date:2015-02-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.698 Å)
Cite:Molecular Determinants for Nuclear Import of Influenza A PB2 by Importin alpha Isoforms 3 and 7.
Structure, 23, 2015
5YKL
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BU of 5ykl by Molmil
Antimicrobial peptide AY1C designed from the skin secretion of Chinese Odorous frogs
Descriptor: designed AY1C
Authors:Pal, I, Atreya, H.S, Bhunia, A.
Deposit date:2017-10-15
Release date:2017-10-25
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:A Peptide-Nanoparticle System with Improved Efficacy against Multidrug Resistant Bacteria.
Sci Rep, 9, 2019
5YKQ
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BU of 5ykq by Molmil
Designed peptide CAY1 from Odorrana andersonii skin secretion
Descriptor: designed CAY1
Authors:Pal, I, Atreya, H.S, Bhunia, A.
Deposit date:2017-10-15
Release date:2017-11-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:A Peptide-Nanoparticle System with Improved Efficacy against Multidrug Resistant Bacteria.
Sci Rep, 9, 2019
4U04
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BU of 4u04 by Molmil
Structure of a eukaryotic fic domain containing protein
Descriptor: Adenosine monophosphate-protein transferase FICD, D(-)-TARTARIC ACID, TETRAETHYLENE GLYCOL
Authors:Cole, A.R, Bunney, T.D, Katan, M.
Deposit date:2014-07-11
Release date:2014-12-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Crystal structure of the human, FIC-domain containing protein HYPE and implications for its functions.
Structure, 22, 2014
7P3S
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BU of 7p3s by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 12
Descriptor: GLYCEROL, Histone deacetylase, POTASSIUM ION, ...
Authors:Shaik, T.B, Romier, C.
Deposit date:2021-07-08
Release date:2021-09-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.546 Å)
Cite:Synthesis, structure-activity relationships, cocrystallization and cellular characterization of novel smHDAC8 inhibitors for the treatment of schistosomiasis.
Eur.J.Med.Chem., 225, 2021
4U06
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BU of 4u06 by Molmil
Structure of Leptospira interrogans LRR protein LIC10831
Descriptor: CHLORIDE ION, LIC10831, ZINC ION
Authors:Shepard, W, Saul, F.A, Haouz, A, Picardeau, M.
Deposit date:2014-07-11
Release date:2015-06-03
Last modified:2015-06-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural characterization of a novel subfamily of leucine-rich repeat proteins from the human pathogen Leptospira interrogans.
Acta Crystallogr.,Sect.D, 71, 2015
5YKK
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BU of 5ykk by Molmil
Antimicrobial peptide Andersonin-Y1 (AY1)
Descriptor: Andersonin-Y1 (AY1)
Authors:Pal, I, Atreya, H.S, Bhunia, A.
Deposit date:2017-10-15
Release date:2017-11-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:A Peptide-Nanoparticle System with Improved Efficacy against Multidrug Resistant Bacteria.
Sci Rep, 9, 2019
5Y0H
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BU of 5y0h by Molmil
Solution structure of arenicin-3 derivative N6
Descriptor: N6
Authors:Liu, X.H, Wang, J.H.
Deposit date:2017-07-17
Release date:2017-07-26
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Antibacterial and detoxifying activity of NZ17074 analogues with multi-layers of selective antimicrobial actions against Escherichia coli and Salmonella enteritidis
Sci Rep, 7, 2017
5Y0U
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BU of 5y0u by Molmil
The solution structure of AEBP2 C2H2 zinc fingers
Descriptor: ZINC ION, Zinc finger protein AEBP2
Authors:Sun, A, Shi, Y, Wu, J.
Deposit date:2017-07-18
Release date:2018-08-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural and biochemical insights into human zinc finger protein AEBP2 reveals interactions with RBBP4.
Protein Cell, 9, 2018

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