4BSW
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![BU of 4bsw by Molmil](/molmil-images/mine/4bsw) | Heterodimeric Fc Antibody Azymetric Variant 2 | Descriptor: | 1,2-ETHANEDIOL, HETERODIMERIC FC ANTIBODY AZYMETRIC VARIANT 2, IODIDE ION, ... | Authors: | Suits, M.D.L, Spreter, T, Cabrera, E.E, Dixit, S.B, Lario, P.I, Poon, D.K.Y, D'Angelo, I.E.P, Boulanger, M.J. | Deposit date: | 2013-06-11 | Release date: | 2013-08-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Improving Biophysical Properties of a Bispecific Antibody Scaffold to Aid Developability: Quality by Molecular Design. Mabs, 5, 2013
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2QL1
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![BU of 2ql1 by Molmil](/molmil-images/mine/2ql1) | Structural Characterization of a Mutated, ADCC-Enhanced Human Fc Fragment | Descriptor: | IGHM protein, ZINC ION, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Oganesyan, V, Wu, H, Dall'Acqua, W.F. | Deposit date: | 2007-07-12 | Release date: | 2008-04-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.534 Å) | Cite: | Structural characterization of a mutated, ADCC-enhanced human Fc fragment Mol.Immunol., 45, 2008
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4F23
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![BU of 4f23 by Molmil](/molmil-images/mine/4f23) | Influenza A virus hemagglutinin H16 HA0 structure with an alpha-helix conformation in the cleavage site: a potential drug target | 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 | Authors: | Lu, X, Shi, Y, Gao, F, Xiao, H, Qi, J, Gao, G.F. | Deposit date: | 2012-05-07 | Release date: | 2012-11-21 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Insights into Avian Influenza Virus Pathogenicity: the Hemagglutinin Precursor HA0 of Subtype H16 Has an Alpha-Helix Structure in Its Cleavage Site with Inefficient HA1/HA2 Cleavage. J.Virol., 86, 2012
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2QNO
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![BU of 2qno by Molmil](/molmil-images/mine/2qno) | Crystal Structure of the Mutant E55Q of the Cellulase CEL48F in Complex with a Thio-Oligosaccharide | Descriptor: | 4-thio-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-4-thio-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-4-thio-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-4-thio-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-4-thio-beta-D-glucopyranose, CALCIUM ION, Endoglucanase F | Authors: | Parsiegla, G, Haser, R. | Deposit date: | 2007-07-19 | Release date: | 2008-01-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of mutants of cellulase Cel48F of Clostridium cellulolyticum in complex with long hemithiocellooligosaccharides give rise to a new view of the substrate pathway during processive action J.Mol.Biol., 375, 2008
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2R0U
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![BU of 2r0u by Molmil](/molmil-images/mine/2r0u) | Crystal Structure of Chek1 in Complex with Inhibitor 54 | Descriptor: | 6-(3-aminopropyl)-4-(3-hydroxyphenyl)-9-(1H-pyrazol-4-yl)benzo[h]isoquinolin-1(2H)-one, Serine/threonine-protein kinase Chk1 | Authors: | Yan, Y, Ikuta, M. | Deposit date: | 2007-08-21 | Release date: | 2007-10-30 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Synthesis and evaluation of substituted benzoisoquinolinones as potent inhibitors of Chk1 kinase. Bioorg.Med.Chem.Lett., 17, 2007
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5LWJ
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![BU of 5lwj by Molmil](/molmil-images/mine/5lwj) | Solution NMR structure of the GTP binding Class II RNA aptamer-ligand-complex containing a protonated adenine nucleotide with a highly shifted pKa. | Descriptor: | GTP Class II RNA (34-MER), GUANOSINE-5'-TRIPHOSPHATE | Authors: | Wolter, A.C, Weickhmann, A.K, Nasiri, A.H, Hantke, K, Ohlenschlaeger, O, Wunderlich, C.H, Kreutz, C, Duchardt-Ferner, E, Woehnert, J. | Deposit date: | 2016-09-17 | Release date: | 2016-12-14 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | A Stably Protonated Adenine Nucleotide with a Highly Shifted pKa Value Stabilizes the Tertiary Structure of a GTP-Binding RNA Aptamer. Angew. Chem. Int. Ed. Engl., 56, 2017
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5LJO
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![BU of 5ljo by Molmil](/molmil-images/mine/5ljo) | E. coli BAM complex (BamABCDE) by cryoEM | Descriptor: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ... | Authors: | Iadanza, M.G, Ranson, N.A, Radford, S.E, Higgins, A.J, Schffrin, B, Calabrese, A.N, Ashcroft, A.E, Brockwell, D.J. | Deposit date: | 2016-07-19 | Release date: | 2016-10-12 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (4.9 Å) | Cite: | Lateral opening in the intact beta-barrel assembly machinery captured by cryo-EM. Nat Commun, 7, 2016
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5M0D
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![BU of 5m0d by Molmil](/molmil-images/mine/5m0d) | Structure-based evolution of a hybrid steroid series of Autotaxin inhibitors | Descriptor: | CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2,Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, GLYCEROL, ... | Authors: | Keune, W.-J, Heidebrecht, T, Perrakis, A. | Deposit date: | 2016-10-04 | Release date: | 2017-08-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Rational Design of Autotaxin Inhibitors by Structural Evolution of Endogenous Modulators. J. Med. Chem., 60, 2017
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1IFH
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![BU of 1ifh by Molmil](/molmil-images/mine/1ifh) | |
5LG1
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![BU of 5lg1 by Molmil](/molmil-images/mine/5lg1) | Room temperature structure of human IgG4-Fc from crystals analysed in situ | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-4 chain C region | Authors: | Davies, A.M, Rispens, T, Ooijevaar-de Heer, P, Aalberse, R.C, Sutton, B.J. | Deposit date: | 2016-07-05 | Release date: | 2016-12-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Room temperature structure of human IgG4-Fc from crystals analysed in situ. Mol. Immunol., 81, 2016
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5M1D
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![BU of 5m1d by Molmil](/molmil-images/mine/5m1d) | Crystal structure of N-terminally tagged UbiD from E. coli reconstituted with prFMN cofactor | Descriptor: | 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, 3-octaprenyl-4-hydroxybenzoate carboxy-lyase, MANGANESE (II) ION, ... | Authors: | Marshall, S.A, Leys, D. | Deposit date: | 2016-10-07 | Release date: | 2017-01-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Oxidative Maturation and Structural Characterization of Prenylated FMN Binding by UbiD, a Decarboxylase Involved in Bacterial Ubiquinone Biosynthesis. J. Biol. Chem., 292, 2017
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1J4X
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![BU of 1j4x by Molmil](/molmil-images/mine/1j4x) | HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE C124S MUTANT-PEPTIDE COMPLEX | Descriptor: | DDE(AHP)(TPO)G(PTR)VATR, DUAL SPECIFICITY PROTEIN PHOSPHATASE 3 | Authors: | Schumacher, M.A, Todd, J.L, Tanner, K.G, Denu, J.M. | Deposit date: | 2001-12-13 | Release date: | 2001-12-19 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structural basis for the recognition of a bisphosphorylated MAP kinase peptide by human VHR protein Phosphatase. Biochemistry, 41, 2002
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5MKA
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![BU of 5mka by Molmil](/molmil-images/mine/5mka) | Maltodextrin binding protein MalE1 from L. casei BL23 bound to gamma-cyclodextrin | Descriptor: | Cyclooctakis-(1-4)-(alpha-D-glucopyranose), MalE1 | Authors: | Homburg, C, Bommer, M, Wuttge, S, Hobe, C, Beck, S, Dobbek, H, Deutscher, J, Licht, A, Schneider, E. | Deposit date: | 2016-12-02 | Release date: | 2017-07-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.149 Å) | Cite: | Inducer exclusion in Firmicutes: insights into the regulation of a carbohydrate ATP binding cassette transporter from Lactobacillus casei BL23 by the signal transducing protein P-Ser46-HPr. Mol. Microbiol., 105, 2017
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1JDG
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![BU of 1jdg by Molmil](/molmil-images/mine/1jdg) | Solution Structure of a Trans-Opened (10S)-dA Adduct of (+)-(7S,8R,9S,10R)-7,8-Dihydroxy-9,10-epoxy-7,8,9,10-tetrahydrobenzo[a]pyrene in a fully Complementary DNA Duplex | Descriptor: | 5'-D(*CP*CP*TP*CP*GP*TP*GP*AP*CP*CP*G)-3', 5'-D(*CP*GP*GP*TP*CP*(BPA)AP*CP*GP*AP*GP*G)-3', 7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE | Authors: | Pradhan, P, Tirumala, S, Liu, X, Sayer, J.M, Jerina, D.M, Yeh, H.J.C. | Deposit date: | 2001-06-13 | Release date: | 2001-07-04 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of a trans-opened (10S)-dA adduct of (+)-(7S,8R,9S,10R)-7,8-dihydroxy-9,10-epoxy-7,8,9,10-tetrahydrobenzo[a]pyrene in a fully complementary DNA duplex: evidence for a major syn conformation. Biochemistry, 40, 2001
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1JUU
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![BU of 1juu by Molmil](/molmil-images/mine/1juu) | NMR Structure of a Parallel Stranded DNA Duplex at Atomic Resolution | Descriptor: | 5'-D(P*CP*CP*AP*TP*AP*AP*TP*TP*TP*AP*CP*C)-3', 5'-D(P*CP*CP*TP*AP*TP*TP*AP*AP*AP*TP*CP*C)-3' | Authors: | Parvathy, V.R, Bhaumik, S.R, Chary, K.V.R, Govil, G, Liu, K, Howard, F.B, Miles, H.T. | Deposit date: | 2001-08-28 | Release date: | 2002-04-03 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | NMR structure of a parallel-stranded DNA duplex at atomic resolution. Nucleic Acids Res., 30, 2002
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1JXV
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![BU of 1jxv by Molmil](/molmil-images/mine/1jxv) | Crystal Structure of Human Nucleoside Diphosphate Kinase A | Descriptor: | Nucleoside Diphosphate Kinase A | Authors: | Min, K, Song, H.K, Chang, C, Kim, S.Y, Lee, K.J, Suh, S.W. | Deposit date: | 2001-09-10 | Release date: | 2002-04-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of human nucleoside diphosphate kinase A, a metastasis suppressor. Proteins, 46, 2002
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5N2F
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![BU of 5n2f by Molmil](/molmil-images/mine/5n2f) | Structure of PD-L1/small-molecule inhibitor complex | Descriptor: | 4-[[4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-2,5-bis(fluoranyl)phenyl]methylamino]-3-oxidanylidene-butanoic acid, Programmed cell death 1 ligand 1 | Authors: | Guzik, K, Zak, K.M, Grudnik, P, Dubin, G, Holak, T.A. | Deposit date: | 2017-02-07 | Release date: | 2017-06-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Small-Molecule Inhibitors of the Programmed Cell Death-1/Programmed Death-Ligand 1 (PD-1/PD-L1) Interaction via Transiently Induced Protein States and Dimerization of PD-L1. J. Med. Chem., 60, 2017
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5NIU
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![BU of 5niu by Molmil](/molmil-images/mine/5niu) | Structure of human Programmed cell death 1 ligand 1 (PD-L1) with low molecular mass inhibitor | Descriptor: | (2~{R})-2-[[2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-5-methyl-phenyl]methylamino]-3-oxidanyl-propanoic acid, 1,2-ETHANEDIOL, Programmed cell death 1 ligand 1 | Authors: | Zak, K.M, Grudnik, P, Skalniak, L, Dubin, G, Holak, T.A. | Deposit date: | 2017-03-27 | Release date: | 2017-12-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Small-molecule inhibitors of PD-1/PD-L1 immune checkpoint alleviate the PD-L1-induced exhaustion of T-cells. Oncotarget, 8, 2017
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5M3V
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![BU of 5m3v by Molmil](/molmil-images/mine/5m3v) | BEAT Fc | Descriptor: | Ig gamma-1 chain C region, Ig gamma-1 chain C region,Ig gamma-3 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Skegro, D, Stutz, C, Bourquin, F, Blein, S. | Deposit date: | 2016-10-17 | Release date: | 2017-05-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Immunoglobulin domain interface exchange as a platform technology for the generation of Fc heterodimers and bispecific antibodies. J. Biol. Chem., 292, 2017
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1K5M
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![BU of 1k5m by Molmil](/molmil-images/mine/1k5m) | Crystal Structure of a Human Rhinovirus Type 14:Human Immunodeficiency Virus Type 1 V3 Loop Chimeric Virus MN-III-2 | Descriptor: | CHIMERA OF HRV14 COAT PROTEIN VP2 (P1B) AND the V3 loop of HIV-1 gp120, COAT PROTEIN VP1 (P1D), COAT PROTEIN VP3 (P1C), ... | Authors: | Ding, J, Smith, A.D, Geisler, S.C, Ma, X, Arnold, G.F, Arnold, E. | Deposit date: | 2001-10-11 | Release date: | 2002-07-17 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal Structure of a Human Rhinovirus
that Displays Part of the HIV-1 V3 Loop and
Induces Neutralizing Antibodies against
HIV-1 Structure, 10, 2002
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1KNO
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![BU of 1kno by Molmil](/molmil-images/mine/1kno) | |
5N2D
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![BU of 5n2d by Molmil](/molmil-images/mine/5n2d) | Structure of PD-L1/small-molecule inhibitor complex | Descriptor: | Programmed cell death 1 ligand 1, ~{N}-[2-[[2,6-dimethoxy-4-[(2-methyl-3-phenyl-phenyl)methoxy]phenyl]methylamino]ethyl]ethanamide | Authors: | Guzik, K, Zak, K.M, Grudnik, P, Dubin, G, Holak, T.A. | Deposit date: | 2017-02-07 | Release date: | 2017-06-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Small-Molecule Inhibitors of the Programmed Cell Death-1/Programmed Death-Ligand 1 (PD-1/PD-L1) Interaction via Transiently Induced Protein States and Dimerization of PD-L1. J. Med. Chem., 60, 2017
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5NSC
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![BU of 5nsc by Molmil](/molmil-images/mine/5nsc) | Fc DEKK heterodimer variant | Descriptor: | Fc-III peptide, GLYCEROL, Putative uncharacterized protein DKFZp686C11235, ... | Authors: | De Nardis, C, Hendriks, L.J.A, Poirier, E, Arvinte, T, Gros, P, Bakker, A.B.H, de Kruif, J. | Deposit date: | 2017-04-26 | Release date: | 2017-07-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A new approach for generating bispecific antibodies based on a common light chain format and the stable architecture of human immunoglobulin G1. J. Biol. Chem., 292, 2017
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5NUZ
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![BU of 5nuz by Molmil](/molmil-images/mine/5nuz) | Junin virus GP1 glycoprotein in complex with an antibody Fab fragment | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ISOPROPYL ALCOHOL, ... | Authors: | Zeltina, A, Krumm, S.A, Sahin, M, Struwe, W.B, Harlos, K, Nunberg, J.H, Crispin, M, Pinschewer, D.D, Doores, K.J, Bowden, T.A. | Deposit date: | 2017-05-03 | Release date: | 2017-06-28 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Convergent immunological solutions to Argentine hemorrhagic fever virus neutralization. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5LQQ
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![BU of 5lqq by Molmil](/molmil-images/mine/5lqq) | Structure of Autotaxin (ENPP2) with LM350 | Descriptor: | 3-(6-chloranyl-2-methyl-1-phenyl-indol-3-yl)sulfanylbenzoic acid, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ... | Authors: | Keune, W.J, Heidebrecht, T, Castelmur, E, Joosten, R.P, Perrakis, A. | Deposit date: | 2016-08-17 | Release date: | 2016-12-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-Activity Relationships of Small Molecule Autotaxin Inhibitors with a Discrete Binding Mode. J. Med. Chem., 60, 2017
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