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7OUN
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BU of 7oun by Molmil
Structure of human PD-L1 in complex with macrocyclic inhibitor
Descriptor: Programmed cell death 1 ligand 1, macrocyclic peptide
Authors:Zyla, E, Dubin, G.
Deposit date:2021-06-12
Release date:2021-09-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Characterization of a Macrocyclic Peptide Modulator of the PD-1/PD-L1 Immune Checkpoint Axis.
Molecules, 26, 2021
3NOI
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BU of 3noi by Molmil
Crystal Structure of Natural Killer Cell Cytotoxicity Receptor NKp30 (NCR3)
Descriptor: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, CALCIUM ION, Natural cytotoxicity triggering receptor 3
Authors:Joyce, M.G, Sun, P.D.
Deposit date:2010-06-25
Release date:2011-03-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.842 Å)
Cite:Structure of the Natural Killer cell activating receptor NKp30 and dissection of ligand binding site
Proc.Natl.Acad.Sci.USA, 2011
9EO0
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BU of 9eo0 by Molmil
Small-Molecule Inhibitors of Programmed Cell Death-1/Programmed Death-Ligand 1
Descriptor: Programmed cell death 1 ligand 1, SULFATE ION, ~{N}-[3-[3-[[5-[(2-hydroxyethylamino)methyl]pyridin-2-yl]carbonylamino]-2-methyl-phenyl]-2-methyl-phenyl]-5-[[3-(methylsulfonylamino)propylamino]methyl]pyridine-2-carboxamide
Authors:Plewka, J, Hec, A, Sitar, T, Holak, T.
Deposit date:2024-03-14
Release date:2024-06-19
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Nonsymmetrically Substituted 1,1'-Biphenyl-Based Small Molecule Inhibitors of the PD-1/PD-L1 Interaction.
Acs Med.Chem.Lett., 15, 2024
9ERY
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BU of 9ery by Molmil
Co-crystal strucutre of PD-L1 with low molecular weight inhibitor
Descriptor: 5-[[5-[[2-[bis(fluoranyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]methoxy]-2-[(2-hydroxyethylamino)methyl]phenoxy]methyl]pyridine-3-carbonitrile, Programmed cell death 1 ligand 1, SULFATE ION
Authors:Plewka, J, Magiera-Mularz, K, Zhang, W.
Deposit date:2024-03-25
Release date:2024-07-24
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Design, synthesis, and evaluation of antitumor activity of 2-arylmethoxy-4-(2-fluoromethyl-biphenyl-3-ylmethoxy) benzylamine derivatives as PD-1/PD-l1 inhibitors.
Eur.J.Med.Chem., 276, 2024
7SU1
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BU of 7su1 by Molmil
Crystal structure of an acidic pH-selective Ipilimumab variant Ipi.106 in complex with CTLA-4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cytotoxic T-lymphocyte protein 4, Fab heavy chain, ...
Authors:Lee, P.S, Chau, B, Strop, P.
Deposit date:2021-11-15
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Improved therapeutic index of an acidic pH-selective antibody.
Mabs, 14, 2022
7SU0
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BU of 7su0 by Molmil
Crystal structure of an acidic pH-selective Ipilimumab variant Ipi.105 in complex with CTLA-4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRATE ANION, Cytotoxic T-lymphocyte protein 4, ...
Authors:Lee, P.S, Chau, B, Strop, P.
Deposit date:2021-11-15
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Improved therapeutic index of an acidic pH-selective antibody.
Mabs, 14, 2022
4DFI
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BU of 4dfi by Molmil
Crystal structure of cell adhesion molecule nectin-2/CD112 mutant FAMP
Descriptor: Poliovirus receptor-related protein 2
Authors:Liu, J, Qian, X, Chen, Z, Xu, X, Gao, F, Zhang, S, Zhang, R, Qi, J, Gao, G.F, Yan, J.
Deposit date:2012-01-23
Release date:2012-06-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of Cell Adhesion Molecule Nectin-2/CD112 and Its Binding to Immune Receptor DNAM-1/CD226
J.Immunol., 188, 2012
4LVE
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BU of 4lve by Molmil
LEN K30T MUTANT: A DOMAIN FLIP AS A RESULT OF A SINGLE AMINO ACID SUBSTITUTION
Descriptor: LEN
Authors:Schiffer, M, Pokkuluri, P.R.
Deposit date:1998-05-12
Release date:1999-05-18
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A domain flip as a result of a single amino-acid substitution.
Structure, 6, 1998
5EDX
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BU of 5edx by Molmil
Crystal structure of swine CD8aa homodimer
Descriptor: CD8 alpha antigen
Authors:Liu, Y.J, Qi, J.X, Zhang, N.Z, Xia, C.
Deposit date:2015-10-22
Release date:2016-09-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:The structural basis of chicken, swine and bovine CD8 alpha alpha dimers provides insight into the co-evolution with MHC I in endotherm species.
Sci Rep, 6, 2016
4M62
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BU of 4m62 by Molmil
Ontogeny of recognition specificity and functionality for the anti-HIV neutralizing antibody 4E10
Descriptor: GEP2 FV heavy chain, GEP2 FV light chain, SULFATE ION, ...
Authors:Finton, K.A.K.
Deposit date:2013-08-08
Release date:2014-10-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Ontogeny of Recognition Specificity and Functionality for the Broadly Neutralizing Anti-HIV Antibody 4E10.
Plos Pathog., 10, 2014
2W9L
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BU of 2w9l by Molmil
CANINE ADENOVIRUS TYPE 2 FIBRE HEAD IN COMPLEX WITH CAR DOMAIN D1 AND SIALIC ACID
Descriptor: COXSACKIEVIRUS AND ADENOVIRUS RECEPTOR, FIBRE PROTEIN, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, ...
Authors:Seiradake, E, Henaff, D, Wodrich, H, Billet, O, Perreau, M, Hippert, C, Mennechet, F, Schoehn, G, Lortat-Jacob, H, Dreja, H, Ibanes, S, Kalatzis, V, Wang, J.P, Finberg, R.W, Cusack, S, Kremer, E.J.
Deposit date:2009-01-26
Release date:2009-03-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:The cell adhesion molecule "CAR" and sialic acid on human erythrocytes influence adenovirus in vivo biodistribution.
PLoS Pathog., 5, 2009
5ELI
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BU of 5eli by Molmil
Triggering receptor expressed on myeloid cells 2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Triggering receptor expressed on myeloid cells 2
Authors:Brett, T.J, Kober, D.L.
Deposit date:2015-11-04
Release date:2016-12-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.0977 Å)
Cite:Neurodegenerative disease mutations in TREM2 reveal a functional surface and distinct loss-of-function mechanisms.
Elife, 5, 2016
4M8Q
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BU of 4m8q by Molmil
Ontogeny of recognition specificity and functionality for the anti-HIV neutralizing antibody 4E10
Descriptor: 4E10 epitope scaffold T117, GEP1 Fv heavy chain, GEP1 Fv light chain
Authors:Finton, K.A.K.
Deposit date:2013-08-13
Release date:2014-10-08
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Ontogeny of Recognition Specificity and Functionality for the Broadly Neutralizing Anti-HIV Antibody 4E10.
Plos Pathog., 10, 2014
2W0L
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BU of 2w0l by Molmil
CRYSTAL STRUCTURE OF THE MUTANT H8P FROM THE RECOMBINANT VARIABLE DOMAIN 6JAL2
Descriptor: V1-22 protein
Authors:Rudino-Pinera, E, Gonzalezrubio-Garrido, P, Horjales, E.
Deposit date:2008-08-19
Release date:2009-11-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of the Variable Domain 6Ajl2
To be Published
7KPG
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BU of 7kpg by Molmil
Blocking Fab 25 anti-SIRP-alpha antibody in complex with SIRP-alpha Variant 1
Descriptor: Heavy chain of Fab 25 anti-SIRP-alpha antibody, Light chain of Fab 25 anti-SIRP-alpha antibody, SULFATE ION, ...
Authors:Sim, J, Pons, J.
Deposit date:2020-11-11
Release date:2020-12-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Targeting the myeloid checkpoint receptor SIRP alpha potentiates innate and adaptive immune responses to promote anti-tumor activity.
J Hematol Oncol, 13, 2020
7KQL
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BU of 7kql by Molmil
Anti-Tim3 antibody Fab complex
Descriptor: GLYCEROL, Hepatitis A virus cellular receptor 2, Tim3.18 Fab heavy chain, ...
Authors:Deng, X.A, West, S.M, Strop, P.
Deposit date:2020-11-16
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Tim-3 mediates T cell trogocytosis to limit antitumor immunity.
J.Clin.Invest., 132, 2022
6D48
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BU of 6d48 by Molmil
Cell Surface Receptor
Descriptor: Myeloid cell surface antigen CD33
Authors:Hermans, S.J, Miles, L.A, Parker, M.W.
Deposit date:2018-04-17
Release date:2019-04-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.776 Å)
Cite:Small Molecule Binding to Alzheimer Risk Factor CD33 Promotes A beta Phagocytosis.
Iscience, 19, 2019
6D49
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BU of 6d49 by Molmil
Cell Surface Receptor in Complex with Ligand at 1.80-A Resolution
Descriptor: 2-aminoethyl 5-{[(4-cyclohexyl-1H-1,2,3-triazol-1-yl)acetyl]amino}-3,5,9-trideoxy-9-[(4-hydroxy-3,5-dimethylbenzene-1-carbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->6)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside, GLYCEROL, Myeloid cell surface antigen CD33
Authors:Hermans, S.J, Miles, L.A, Parker, M.W.
Deposit date:2018-04-17
Release date:2019-04-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Small Molecule Binding to Alzheimer Risk Factor CD33 Promotes A beta Phagocytosis.
Iscience, 19, 2019
6D4A
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BU of 6d4a by Molmil
Cell Surface Receptor with Bound Ligand at 1.75-A Resolution
Descriptor: 2-aminoethyl 5-{[(4-cyclohexyl-1H-1,2,3-triazol-1-yl)acetyl]amino}-3,5,9-trideoxy-9-[(4-hydroxy-3,5-dimethylbenzene-1-carbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->6)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside, GLYCEROL, Myeloid cell surface antigen CD33
Authors:Hermans, S.J, Miles, L.A, Parker, M.W.
Deposit date:2018-04-17
Release date:2019-04-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.751 Å)
Cite:Small Molecule Binding to Alzheimer Risk Factor CD33 Promotes A beta Phagocytosis.
Iscience, 19, 2019
4WHD
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BU of 4whd by Molmil
Human CEACAM1 N-domain homodimer
Descriptor: Carcinoembryonic antigen-related cell adhesion molecule 1, GLYCEROL, octyl beta-D-glucopyranoside
Authors:Kirouac, K.N, Prive, G.G.
Deposit date:2014-09-22
Release date:2015-10-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Human CEACAM1 N-domain homodimer
To Be Published
4WHC
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BU of 4whc by Molmil
Human CEACAM6 N-domain
Descriptor: Carcinoembryonic antigen-related cell adhesion molecule 6, ZINC ION
Authors:Prive, G.G, Kirouac, K.N.
Deposit date:2014-09-22
Release date:2015-10-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.705 Å)
Cite:Human CEACAM6 N-domain
To Be Published
4WEN
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BU of 4wen by Molmil
Co-complex structure of the F4 fimbrial adhesin FaeG variant ac with llama single domain antibody V2
Descriptor: Anti-F4+ETEC bacteria VHH variable region, K88 fimbrial protein AC
Authors:Moonens, K, Van den Broeck, I, Pardon, E, De Kerpel, M, Remaut, H, De Greve, H.
Deposit date:2014-09-10
Release date:2015-02-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structural insight in the inhibition of adherence of F4 fimbriae producing enterotoxigenic Escherichia coli by llama single domain antibodies.
Vet. Res., 46, 2015
4WEM
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BU of 4wem by Molmil
Co-complex structure of the F4 fimbrial adhesin FaeG variant ac with llama single domain antibody V1
Descriptor: Anti-F4+ETEC bacteria VHH variable region, K88 fimbrial protein AC, PHOSPHATE ION
Authors:Moonens, K, Van den Broeck, I, Pardon, E, De Kerpel, M, Remaut, H, De Greve, H.
Deposit date:2014-09-10
Release date:2015-02-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural insight in the inhibition of adherence of F4 fimbriae producing enterotoxigenic Escherichia coli by llama single domain antibodies.
Vet. Res., 46, 2015
4WTZ
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BU of 4wtz by Molmil
Human CEACAM6-CEACAM8 N-domain heterodimer complex
Descriptor: Carcinoembryonic antigen-related cell adhesion molecule 6, Carcinoembryonic antigen-related cell adhesion molecule 8, NICKEL (II) ION
Authors:Kirouac, K.N, Prive, G.G.
Deposit date:2014-10-30
Release date:2015-11-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Human CEACAM6-CEACAM8 N-domain heterodimer complex
To Be Published
4WEU
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BU of 4weu by Molmil
Co-complex structure of the F4 fimbrial adhesin FaeG variant ad with llama single domain antibody V3
Descriptor: Anti-F4+ETEC bacteria VHH variable region, K88 fimbrial protein AD
Authors:Moonens, K, Van den Broeck, I, Pardon, E, De Kerpel, M, Remaut, H, De Greve, H.
Deposit date:2014-09-11
Release date:2015-02-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Structural insight in the inhibition of adherence of F4 fimbriae producing enterotoxigenic Escherichia coli by llama single domain antibodies.
Vet. Res., 46, 2015

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