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3GPR
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BU of 3gpr by Molmil
Crystal structure of rhodocetin
Descriptor: Rhodocetin subunit alpha, Rhodocetin subunit beta, Rhodocetin subunit delta, ...
Authors:Stetefeld, J.
Deposit date:2009-03-23
Release date:2009-12-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The alpha2beta1 integrin-specific antagonist rhodocetin is a cruciform, heterotetrameric molecule
Faseb J., 23, 2009
3CLF
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BU of 3clf by Molmil
HIV neutralizing monoclonal antibody YZ23
Descriptor: Fab heavy chain, Fab light chain
Authors:Symersky, J, Boivin, S, Paul, S.
Deposit date:2008-03-18
Release date:2008-03-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:HIV neutralizing monoclonal antibody YZ23
To be Published
1DEF
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BU of 1def by Molmil
PEPTIDE DEFORMYLASE CATALYTIC CORE (RESIDUES 1-147), NMR, 9 STRUCTURES
Descriptor: PEPTIDE DEFORMYLASE, ZINC ION
Authors:Meinnel, T, Dardel, F.
Deposit date:1996-03-19
Release date:1997-04-21
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:A new subclass of the zinc metalloproteases superfamily revealed by the solution structure of peptide deformylase.
J.Mol.Biol., 262, 1996
4PP0
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BU of 4pp0 by Molmil
Structure of the PBP NocT-M117N in complex with pyronopaline
Descriptor: 1,2-ETHANEDIOL, 1-[(1S)-4-carbamimidamido-1-carboxybutyl]-5-oxo-D-proline, DI(HYDROXYETHYL)ETHER, ...
Authors:Morera, S, Vigouroux, A.
Deposit date:2014-02-26
Release date:2014-10-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Agrobacterium uses a unique ligand-binding mode for trapping opines and acquiring a competitive advantage in the niche construction on plant host.
Plos Pathog., 10, 2014
6YBP
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BU of 6ybp by Molmil
Propionyl-CoA carboxylase of Methylorubrum extorquens with bound CoA
Descriptor: 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, COENZYME A, Propionyl-CoA carboxylase alpha subunit, ...
Authors:Schuller, J.M, Schuller, S.K, Zarzycki, J, Scheffen, M, Marchal, D.M, Erb, T.J.
Deposit date:2020-03-17
Release date:2020-10-28
Last modified:2021-05-12
Method:ELECTRON MICROSCOPY (3.48 Å)
Cite:A new-to-nature carboxylation module to improve natural and synthetic CO2 fixation
Nat Catal, 2021
3SRI
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BU of 3sri by Molmil
Crystal structure of Plasmodium falciparum AMA1 in complex with a 29aa PfRON2 peptide
Descriptor: Apical membrane antigen 1, Rhoptry neck protein 2
Authors:Vulliez-Le Normand, B, Saul, F.A, Bentley, G.A.
Deposit date:2011-07-07
Release date:2012-07-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and functional insights into the malaria parasite moving junction complex.
Plos Pathog., 8, 2012
1PBR
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BU of 1pbr by Molmil
STRUCTURE OF 16S RIBOSOMAL RNA, NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor: 16S RIBOSOMAL RNA, 2,6-diamino-2,6-dideoxy-beta-L-idopyranose-(1-3)-beta-D-ribofuranose, 2-DEOXYSTREPTAMINE, ...
Authors:Fourmy, D, Recht, M.I, Blanchard, S, Puglisi, J.D.
Deposit date:1996-09-12
Release date:1997-09-17
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure of the A site of Escherichia coli 16S ribosomal RNA complexed with an aminoglycoside antibiotic.
Science, 274, 1996
5JSG
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BU of 5jsg by Molmil
Crystal structure of Spindlin1 bound to compound EML405
Descriptor: CHLORIDE ION, MAGNESIUM ION, Spindlin-1, ...
Authors:Su, X, Li, H.
Deposit date:2016-05-08
Release date:2017-05-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Developing Spindlin1 small-molecule inhibitors by using protein microarrays
Nat. Chem. Biol., 13, 2017
5MWJ
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BU of 5mwj by Molmil
Structure Enabled Discovery of a Stapled Peptide Inhibitor to Target the Oncogenic Transcriptional Repressor TLE1
Descriptor: DIMETHYL SULFOXIDE, Transducin-like enhancer protein 1, pepide inhibtor
Authors:McGrath, S, Tortorici, M, Vidler, L, Drouin, L, Westwood, I, Gimeson, P, Van Montfort, R, Hoelder, S.
Deposit date:2017-01-18
Release date:2017-04-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structure-Enabled Discovery of a Stapled Peptide Inhibitor to Target the Oncogenic Transcriptional Repressor TLE1.
Chemistry, 23, 2017
6CNW
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BU of 6cnw by Molmil
STRUCTURE OF HUMANIZED SINGLE DOMAIN ANTIBODY SD84
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, humanized antibody SD84h
Authors:Luo, J, Obmolova, O.
Deposit date:2018-03-09
Release date:2018-11-14
Method:X-RAY DIFFRACTION (0.92 Å)
Cite:Universal protection against influenza infection by a multidomain antibody to influenza hemagglutinin.
Science, 362, 2018
5JSJ
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BU of 5jsj by Molmil
Crystal structure of Spindlin1 bound to compound EML631
Descriptor: CHLORIDE ION, MAGNESIUM ION, Spindlin-1, ...
Authors:Su, X, Li, H.
Deposit date:2016-05-08
Release date:2017-05-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.348 Å)
Cite:Developing Spindlin1 small-molecule inhibitors by using protein microarrays
Nat. Chem. Biol., 13, 2017
2WCX
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BU of 2wcx by Molmil
Crystal Structure of Hepatitis C Virus NS5B Polymerase in Complex with Thienopyrrole-Based Finger-Loop Inhibitors
Descriptor: 6-CYCLOHEXYL-4-METHYL-5-PHENYL-4H-THIENO[3,2-B]PYRROLE-2-CARBOXYLIC ACID, MANGANESE (II) ION, RNA-DIRECTED RNA POLYMERASE
Authors:Di Marco, S.
Deposit date:2009-03-17
Release date:2009-08-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Optimization of Thienopyrrole-Based Finger-Loop Inhibitors of the Hepatitis C Virus Ns5B Polymerase.
Chemmedchem, 4, 2009
2EC9
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BU of 2ec9 by Molmil
Crystal structure analysis of human Factor VIIa , Souluble tissue factor complexed with BCX-3607
Descriptor: 1,5-anhydro-D-glucitol, 2'-((5-CARBAMIMIDOYLPYRIDIN-2-YLAMINO)METHYL)-4-(ISOBUTYLCARBAMOYL)-4'-VINYLBIPHENYL-2-CARBOXYLIC ACID, CALCIUM ION, ...
Authors:Raman, K, Yarlagadda, B.
Deposit date:2007-02-13
Release date:2008-02-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Probing the S2 site of factor VIIa to generate potent and selective inhibitors: the structure of BCX-3607 in complex with tissue factor-factor VIIa.
Acta Crystallogr.,Sect.D, 63, 2007
6CNV
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BU of 6cnv by Molmil
INFLUENZA B/BRISBANE HEMAGGLUTININ FAB CR9115 SD84H COMPLEX
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CR9114 Fab heavy chain, ...
Authors:Luo, J, Obmolova, G.
Deposit date:2018-03-09
Release date:2018-11-14
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (4.1 Å)
Cite:Universal protection against influenza infection by a multidomain antibody to influenza hemagglutinin.
Science, 362, 2018
6CK8
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BU of 6ck8 by Molmil
Crystal structure of anti-influenza single-domain llama antibody SD38
Descriptor: GLYCEROL, Llama antibody SD38, PENTAETHYLENE GLYCOL, ...
Authors:Zhu, X, Wilson, I.A.
Deposit date:2018-02-27
Release date:2018-11-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Universal protection against influenza infection by a multidomain antibody to influenza hemagglutinin.
Science, 362, 2018
6WPU
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BU of 6wpu by Molmil
Structure of S-allyl-L-cysteine S-oxygenase from Allium sativum
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Flavin-containing monooxygenase, SULFATE ION
Authors:Tanner, J.J, Campbell, A.C, Schuermann, J.P.
Deposit date:2020-04-27
Release date:2020-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.084 Å)
Cite:Structure and function of a flavin-dependent S-monooxygenase from garlic (Allium sativum).
J.Biol.Chem., 295, 2020
8P1O
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BU of 8p1o by Molmil
Solubilizer tag effect on PD-L1/inhibitor binding properties for m-terphenyl derivatives
Descriptor: (3~{R})-1-[[4-[2-chloranyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-2-methoxy-phenyl]methyl]-~{N}-(2-hydroxyethyl)pyrrolidine-3-carboxamide, CHLORIDE ION, Programmed cell death 1 ligand 1, ...
Authors:Plewka, J, Magiera-Mularz, K, Surmiak, E, Kalinowska-Tluscik, J, Holak, T.A.
Deposit date:2023-05-12
Release date:2024-01-31
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Solubilizer Tag Effect on PD-L1/Inhibitor Binding Properties for m -Terphenyl Derivatives.
Acs Med.Chem.Lett., 15, 2024
6YBQ
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BU of 6ybq by Molmil
Engineered glycolyl-CoA carboxylase (quintuple mutant) with bound CoA
Descriptor: 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, COENZYME A, Propionyl-CoA carboxylase alpha subunit, ...
Authors:Schuller, J.M, Schuller, S.K, Zarzycki, J, Scheffen, M, Marchal, D.M, Erb, T.J.
Deposit date:2020-03-17
Release date:2020-10-28
Last modified:2021-05-12
Method:ELECTRON MICROSCOPY (1.96 Å)
Cite:A new-to-nature carboxylation module to improve natural and synthetic CO2 fixation
Nat Catal, 2021
6FX0
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BU of 6fx0 by Molmil
Structure-based design of Trifarotene (CD5789), a potent and selective RAR gamma agonist for the treatment of acne
Descriptor: 6-[3-(1-adamantyl)-4-oxidanyl-phenyl]naphthalene-2-carboxylic acid, Retinoic acid receptor gamma, TETRAETHYLENE GLYCOL
Authors:Chantalat, L, Thoreau, E.
Deposit date:2018-03-08
Release date:2018-05-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-based design of Trifarotene (CD5789), a potent and selective RAR gamma agonist for the treatment of acne.
Bioorg. Med. Chem. Lett., 28, 2018
5LAC
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BU of 5lac by Molmil
SeMet Labeled Derivative of Cavally Virus 3CL Protease
Descriptor: 3Cl Protease, GLYCEROL
Authors:Kanitz, M, Heine, A, Diederich, W.E.
Deposit date:2016-06-14
Release date:2017-07-12
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structural basis for catalysis and substrate specificity of a 3C-like cysteine protease from a mosquito mesonivirus.
Virology, 533, 2019
2PN5
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BU of 2pn5 by Molmil
Crystal Structure of TEP1r
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, ...
Authors:Baxter, R.H.G.
Deposit date:2007-04-23
Release date:2007-07-24
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.698 Å)
Cite:Structural basis for conserved complement factor-like function in the antimalarial protein TEP1
Proc.Natl.Acad.Sci.Usa, 104, 2007
5LAK
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BU of 5lak by Molmil
Ligand-bound structure of Cavally Virus 3CL Protease
Descriptor: 3Cl Protease, BEZ-TYR-TYR-ASN-ECC Peptide inhibitor, PENTAETHYLENE GLYCOL, ...
Authors:Kanitz, M, Heine, A, Diederich, W.E.
Deposit date:2016-06-14
Release date:2017-07-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.299 Å)
Cite:Structural basis for catalysis and substrate specificity of a 3C-like cysteine protease from a mosquito mesonivirus.
Virology, 533, 2019
3SRJ
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BU of 3srj by Molmil
PfAMA1 in complex with invasion-inhibitory peptide R1
Descriptor: Apical membrane antigen 1, AMA1, R1 peptide
Authors:Vulliez-Le Normand, B, Saul, F.A, Bentley, G.A.
Deposit date:2011-07-07
Release date:2012-07-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural and functional insights into the malaria parasite moving junction complex.
Plos Pathog., 8, 2012
4OFQ
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BU of 4ofq by Molmil
Structure of the C-terminal domain of the Streptococcus pyogenes antigen I/II-family protein AspA
Descriptor: CALCIUM ION, Putative cell surface protein
Authors:Hall, M, Nylander, A, Jenkinson, H.F, Persson, K.
Deposit date:2014-01-15
Release date:2014-03-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of the C-terminal domain of AspA (antigen I/II-family) protein from Streptococcus pyogenes.
FEBS Open Bio, 4, 2014
2D6F
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BU of 2d6f by Molmil
Crystal structure of Glu-tRNA(Gln) amidotransferase in the complex with tRNA(Gln)
Descriptor: Glutamyl-tRNA(Gln) amidotransferase subunit D, Glutamyl-tRNA(Gln) amidotransferase subunit E, ZINC ION, ...
Authors:Nureki, O.
Deposit date:2005-11-13
Release date:2006-07-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structural basis of RNA-dependent recruitment of glutamine to the genetic code
Science, 312, 2006

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