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8UKE
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BU of 8uke by Molmil
Crystal Structure of Norbelladine O-methyltransferase variant in complex with SAH
Descriptor: CALCIUM ION, Norbelladine 4'-O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Kim, W, Zhang, Y.J.
Deposit date:2023-10-12
Release date:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Biosensor and machine learning-aided engineering of an amaryllidaceae enzyme.
Nat Commun, 15, 2024
8J3P
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BU of 8j3p by Molmil
Formate dehydrogenase mutant from from Candida dubliniensis M4 complexed with NADP+
Descriptor: Formate dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Ma, W, Zheng, Y.C, Geng, Q, Chen, C, Xu, J.H.
Deposit date:2023-04-17
Release date:2023-09-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Engineering a Formate Dehydrogenase for NADPH Regeneration.
Chembiochem, 24, 2023
3HNS
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BU of 3hns by Molmil
CS-35 Fab Complex with Oligoarabinofuranosyl Hexasaccharide
Descriptor: CS-35 Fab Heavy Chain, CS-35 Fab Light Chain, beta-D-arabinofuranose-(1-2)-alpha-D-arabinofuranose-(1-3)-[beta-D-arabinofuranose-(1-2)-alpha-D-arabinofuranose-(1-5)]alpha-D-arabinofuranose-(1-5)-methyl alpha-D-arabinofuranoside
Authors:Murase, T, Zheng, R.B, Joe, M, Bai, Y, Marcus, S.L, Lowary, T.L, Ng, K.K.S.
Deposit date:2009-06-01
Release date:2009-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insights into antibody recognition of mycobacterial polysaccharides.
J.Mol.Biol., 392, 2009
8OPE
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BU of 8ope by Molmil
Virus-like Particle based on PVY coat protein with dC40 deletion with helical architecture encapsidating ssRNA
Descriptor: Genome polyprotein (Fragment), RNA (5'-R(P*UP*UP*UP*UP*U)-3')
Authors:Kavcic, L, Kezar, A, Podobnik, M.
Deposit date:2023-04-07
Release date:2024-01-24
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (3.09 Å)
Cite:From structural polymorphism to structural metamorphosis of the coat protein of flexuous filamentous potato virus Y.
Commun Chem, 7, 2024
2HLI
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BU of 2hli by Molmil
Solution structure of Crotonaldehyde-Derived N2-[3-Oxo-1(S)-methyl-propyl]-dG DNA Adduct in the 5'-CpG-3' Sequence
Descriptor: DNA dodecamer, DNA dodecamer with S-crotonaldehyde adduct
Authors:Cho, Y.-J, Wang, H, Kozekov, I.D, Kurtz, A.J, Jacob, J, Voehler, M, Smith, J, Harris, T.M, Rizzo, C.J, Stone, M.P.
Deposit date:2006-07-07
Release date:2006-09-19
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Orientation of the Crotonaldehyde-Derived N(2)-[3-Oxo-1(S)-methyl-propyl]-dG DNA Adduct Hinders Interstrand Cross-Link Formation in the 5'-CpG-3' Sequence
Chem.Res.Toxicol., 19, 2006
3HNT
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BU of 3hnt by Molmil
CS-35 Fab complex with a linear, terminal oligoarabinofuranosyl tetrasaccharide from lipoarabinomannan
Descriptor: CS-35 Fab Heavy Chain, CS-35 Fab Light Chain, beta-D-arabinofuranose-(1-2)-alpha-D-arabinofuranose-(1-5)-alpha-D-arabinofuranose-(1-5)-methyl alpha-D-arabinofuranoside
Authors:Murase, T, Zheng, R.B, Joe, M, Bai, Y, Marcus, S.L, Lowary, T.L, Ng, K.K.S.
Deposit date:2009-06-01
Release date:2009-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into antibody recognition of mycobacterial polysaccharides.
J.Mol.Biol., 392, 2009
5VJ8
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BU of 5vj8 by Molmil
Backbone structure of the Yersinia pestis outer membrane protein Ail in phospholipid bilayer nanodisc
Descriptor: Adhesion invasion locus
Authors:Dutta, S.K, Yong, Y, Marassi, F.M.
Deposit date:2017-04-19
Release date:2017-05-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Insights into the Yersinia pestis Outer Membrane Protein Ail in Lipid Bilayers.
J Phys Chem B, 121, 2017
8F4O
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BU of 8f4o by Molmil
Apo structure of the TPP riboswitch aptamer domain
Descriptor: IRIDIUM HEXAMMINE ION, TETRAETHYLENE GLYCOL, TPP riboswitch aptamer domain, ...
Authors:Lee, H.-K, Wang, Y.-X, Stagno, J.R.
Deposit date:2022-11-11
Release date:2023-05-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal structure of Escherichia coli thiamine pyrophosphate-sensing riboswitch in the apo state.
Structure, 31, 2023
8ZPT
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BU of 8zpt by Molmil
Cryo-EM structure of prolactin-releasing peptide recognition with Gq
Descriptor: Guanine nucleotide-binding protein G(324) subunit alpha-1,, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Zhao, L, Li, Y, Yuan, Q, Xu, H.E.
Deposit date:2024-05-31
Release date:2024-09-25
Method:ELECTRON MICROSCOPY (2.96 Å)
Cite:Molecular mechanism of prolactin-releasing peptide recognition and signaling via its G protein-coupled receptor.
Cell Discov, 10, 2024
8WYS
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BU of 8wys by Molmil
Local map of human CD5L bound to IgM-Fc/J
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Wang, Y.X, Su, C, Xiao, J.Y.
Deposit date:2023-10-31
Release date:2024-10-09
Method:ELECTRON MICROSCOPY (3.41 Å)
Cite:CD5L associates with IgM via the J chain.
Nat Commun, 15, 2024
8ZPS
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BU of 8zps by Molmil
Cryo-EM structure of prolactin-releasing peptide recognition with Gi
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha-1, ...
Authors:Zhao, L, Li, Y, Yuan, Q, Xu, H.E.
Deposit date:2024-05-31
Release date:2024-09-25
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Molecular mechanism of prolactin-releasing peptide recognition and signaling via its G protein-coupled receptor.
Cell Discov, 10, 2024
9F0E
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BU of 9f0e by Molmil
Bacterial histone protein HBb from Bdellovibrio bacteriovorus bound to DNA
Descriptor: DNA (5'-D(P*CP*GP*TP*TP*AP*AP*AP*GP*C)-3'), PHOSPHATE ION, Transcription factor CBF/NF-Y/archaeal histone domain-containing protein
Authors:Hu, Y, Albrecht, R, Hartmann, M.D.
Deposit date:2024-04-15
Release date:2024-06-26
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Bacterial histone HBb from Bdellovibrio bacteriovorus compacts DNA by bending.
Nucleic Acids Res., 52, 2024
8D4L
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BU of 8d4l by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) S144A Mutant
Descriptor: 3C-like proteinase nsp5
Authors:Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y.
Deposit date:2022-06-02
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Naturally occurring mutations of SARS-CoV-2 main protease confer drug resistance to nirmatrelvir.
Biorxiv, 2022
1KEH
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BU of 1keh by Molmil
Precursor structure of cephalosporin acylase
Descriptor: precursor of cephalosporin acylase
Authors:Kim, Y, Kim, S.
Deposit date:2001-11-16
Release date:2002-05-16
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Precursor structure of cephalosporin acylase. Insights into autoproteolytic activation in a new N-terminal hydrolase family
J.Biol.Chem., 277, 2002
7TOB
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BU of 7tob by Molmil
Crystal structure of the SARS-CoV-2 Omicron main protease (Mpro) in complex with inhibitor GC376
Descriptor: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER
Authors:Sacco, M.D, Wang, J, Chen, Y.
Deposit date:2022-01-24
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The P132H mutation in the main protease of Omicron SARS-CoV-2 decreases thermal stability without compromising catalysis or small-molecule drug inhibition.
Cell Res., 32, 2022
4BMM
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BU of 4bmm by Molmil
Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-2',3, 5'-trifluoro-(1,1'-biphenyl)-4-carboxamide
Descriptor: 4-[2,5-bis(fluoranyl)phenyl]-2-fluoranyl-N-[(2R)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]benzamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE
Authors:Choi, J.Y, Calvet, C.M, Gunatilleke, S.S, Roush, W.R, McKerrow, J.H, Podust, L.M.
Deposit date:2013-05-09
Release date:2014-06-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:4-Aminopyridyl-Based Cyp51 Inhibitors as Anti-Trypanosoma Cruzi Drug Leads with Improved Pharmacokinetic Profile and in Vivo Potency.
J.Med.Chem., 57, 2014
4EQ8
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BU of 4eq8 by Molmil
Crystal structure of PA1844 from Pseudomonas aeruginosa PAO1
Descriptor: GLYCEROL, Putative uncharacterized protein
Authors:Shang, G, Li, N, Zhang, J, Lu, D, Yu, Q, Zhao, Y, Liu, X, Xu, S, Gu, L.
Deposit date:2012-04-18
Release date:2012-09-12
Last modified:2013-07-24
Method:X-RAY DIFFRACTION (1.392 Å)
Cite:Structural insight into how Pseudomonas aeruginosa peptidoglycanhydrolase Tse1 and its immunity protein Tsi1 function.
Biochem.J., 448, 2012
4RDK
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BU of 4rdk by Molmil
Crystal structure of Norovirus Boxer P domain in complex with Lewis b tetrasaccharide
Descriptor: Capsid, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-alpha-D-glucopyranose
Authors:Hao, N, Chen, Y, Xia, M, Liu, W, Tan, M, Jiang, X, Li, X.
Deposit date:2014-09-19
Release date:2015-01-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.629 Å)
Cite:Crystal structures of GI.8 Boxer virus P dimers in complex with HBGAs, a novel evolutionary path selected by the Lewis epitope.
Protein Cell, 6, 2015
8AVT
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BU of 8avt by Molmil
Racemic protein crystal structure of aureocin A53 from Staphylococcus aureus in the presence of glycerol 3-phosphate
Descriptor: 1,2-ETHANEDIOL, Bacteriocin aureocin A53, D-Aureocin A53, ...
Authors:Lander, A.J, Baumann, P, Rizkallah, P, Jin, Y, Luk, L.Y.P.
Deposit date:2022-08-26
Release date:2023-07-26
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Roles of inter- and intramolecular tryptophan interactions in membrane-active proteins revealed by racemic protein crystallography.
Commun Chem, 6, 2023
8AVR
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BU of 8avr by Molmil
Racemic protein crystal structure of aureocin A53 from Staphylococcus aureus in the presence of sulfate
Descriptor: 1,2-ETHANEDIOL, Bacteriocin aureocin A53, D-Aureocin A53, ...
Authors:Lander, A.J, Baumann, P, Rizkallah, P, Jin, Y, Luk, L.Y.P.
Deposit date:2022-08-26
Release date:2023-07-26
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Roles of inter- and intramolecular tryptophan interactions in membrane-active proteins revealed by racemic protein crystallography.
Commun Chem, 6, 2023
8AVS
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BU of 8avs by Molmil
Racemic protein crystal structure of aureocin A53 from Staphylococcus aureus in the presence of citrate and acetate
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Bacteriocin aureocin A53, ...
Authors:Lander, A.J, Baumann, P, Rizkallah, P, Jin, Y, Luk, L.Y.P.
Deposit date:2022-08-26
Release date:2023-07-26
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Roles of inter- and intramolecular tryptophan interactions in membrane-active proteins revealed by racemic protein crystallography.
Commun Chem, 6, 2023
7C8L
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BU of 7c8l by Molmil
Hybrid designing of potent inhibitors of Striga strigolactone receptor ShHTL7
Descriptor: 2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOX Y}-ETHOXY)-ETHANOL, GLYCEROL, Hyposensitive to light 7, ...
Authors:Shahul Hameed, U.F, Arold, S.T.
Deposit date:2020-06-02
Release date:2021-06-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Rational design of Striga hermonthica-specific seed germination inhibitors.
Plant Physiol., 188, 2022
8GV6
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BU of 8gv6 by Molmil
Crystal structure of PN-SIA28 in complex with influenza hemagglutinin H14 (A/long-tailed duck/Wisconsin/10OS3912/2010)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin H14-HA1, ...
Authors:Chen, Y, Song, H, Qi, J, Gao, G.F.
Deposit date:2022-09-14
Release date:2022-12-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structural basis for a human broadly neutralizing influenza A hemagglutinin stem-specific antibody including H17/18 subtypes.
Nat Commun, 13, 2022
8GV4
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BU of 8gv4 by Molmil
A human broadly neutralizing influenza A hemagglutinin stem-specific antibody PN-SIA28
Descriptor: PN-SIA28 heavy chain, PN-SIA28 light chain
Authors:Chen, Y, Song, H, Qi, J, Gao, G.F.
Deposit date:2022-09-14
Release date:2022-12-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for a human broadly neutralizing influenza A hemagglutinin stem-specific antibody including H17/18 subtypes.
Nat Commun, 13, 2022
1L8S
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BU of 1l8s by Molmil
CARBOXYLIC ESTER HYDROLASE COMPLEX (DIMERIC PLA2 + LPC-ether + ACETATE + PHOSPHATE IONS)
Descriptor: 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ACETATE ION, CALCIUM ION, ...
Authors:Pan, Y.H, Bahnson, B.J.
Deposit date:2002-03-21
Release date:2002-12-25
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of phospholipase A2 Complex with the Hydrolysis Products of Platelet Activating Factor: Equilibrium Binding of Fatty Acid and Lysophospholipid-ether at the Active Site may be Mutually Exclusive
Biochemistry, 41, 2002

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