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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
4DFH
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BU of 4dfh by Molmil
Crystal structure of cell adhesion molecule nectin-2/CD112 variable domain
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
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of Cell Adhesion Molecule Nectin-2/CD112 and Its Binding to Immune Receptor DNAM-1/CD226
J.Immunol., 188, 2012
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
8EQ6
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BU of 8eq6 by Molmil
PD1 signaling receptor bound to FAB Complex
Descriptor: Antibody FAB heavy chain, Antibody FAB light chain, Programmed cell death protein 1
Authors:Bjorkelid, C, Paluch, C, Robertson, N.J.
Deposit date:2022-10-07
Release date:2023-10-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Antibody agonists trigger immune receptor signaling through local exclusion of receptor-type protein tyrosine phosphatases.
Immunity, 57, 2024
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
7ZOZ
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BU of 7zoz by Molmil
Crystal structure of Siglec-15 in complex with Fab
Descriptor: Anti-Siglec 15 Fab HC, Anti-Siglec 15 Fab LC, Sialic acid-binding Ig-like lectin 15
Authors:Lenza, M.P, Oyenarte, I, Jimenez-Barbero, J, Ereno-Orbea, J.
Deposit date:2022-04-26
Release date:2023-06-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.104 Å)
Cite:Structural insights into Siglec-15 reveal glycosylation dependency for its interaction with T cells through integrin CD11b.
Nat Commun, 14, 2023
8SZY
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BU of 8szy by Molmil
Crystal Structure of Heterotrimeric Anti-TIGIT Fabs in complex with human TIGIT
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BMS-986207 Fab Heavy Chain, BMS-986207 light chain, ...
Authors:Diong, S.J, Lee, P.S.
Deposit date:2023-05-30
Release date:2023-09-20
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Biophysical characterization of PVR family interactions and therapeutic antibody recognition to TIGIT.
Mabs, 15, 2023
7ST5
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BU of 7st5 by Molmil
Structure of Fab CC-95251 in complex with SIRP-alpha
Descriptor: 1,2-ETHANEDIOL, Fab CC-95251 anti-SIRP-alpha heavy chain, Fab CC-95251 anti-SIRP-alpha light chain, ...
Authors:Fenalti, G.
Deposit date:2021-11-12
Release date:2023-05-17
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery and Preclinical Activity of BMS-986351, an Antibody to SIRP alpha That Enhances Macrophage-mediated Tumor Phagocytosis When Combined with Opsonizing Antibodies.
Cancer Res Commun, 4, 2024
7M3Z
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BU of 7m3z by Molmil
Structure of TIM-3 in complex with N-(4-(8-chloro-2-mehtyl-5-oxo-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazolin-9-yl)-3-methylphenyl)methanesulfonamdide (compound 35)
Descriptor: CALCIUM ION, Hepatitis A virus cellular receptor 2, N-{4-[(4S,10aP)-8-chloro-2-methyl-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]quinazolin-9-yl]-3-methylphenyl}methanesulfonamide
Authors:Rietz, T.A.
Deposit date:2021-03-19
Release date:2021-10-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Fragment-Based Discovery of Small Molecules Bound to T-Cell Immunoglobulin and Mucin Domain-Containing Molecule 3 (TIM-3).
J.Med.Chem., 64, 2021
2UV3
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BU of 2uv3 by Molmil
Structure of the signal-regulatory protein (SIRP) alpha domain that binds CD47.
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, SULFATE ION, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE SUBSTRATE 1
Authors:Hatherley, D, Harlos, K, Dunlop, D.C, Stuart, D.I, Barclay, A.N.
Deposit date:2007-03-08
Release date:2007-03-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Structure of the Macrophage Signal Regulatory Protein Alpha (Sirpalpha) Inhibitory Receptor Reveals a Binding Face Reminiscent of that Used by T Cell Receptors.
J.Biol.Chem., 282, 2007
8TE6
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BU of 8te6 by Molmil
Crystal structure of a multiple lysine-to-arginine substitution mutant of the human CRIg C3b-binding domain
Descriptor: V-set and immunoglobulin domain-containing protein 4
Authors:Abram, T.G, Geisbrecht, B.V.
Deposit date:2023-07-05
Release date:2023-07-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.251 Å)
Cite:New Insights into the Complement Receptor of the Ig Superfamily Obtained from Structural and Functional Studies on Two Mutants.
Immunohorizons, 7, 2023
8TE5
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BU of 8te5 by Molmil
Crystal structure of a multiple lysine-to-arginine substitution mutant of the human CRIg C3b-binding domain
Descriptor: V-set and immunoglobulin domain-containing protein 4
Authors:Abram, T.G, Geisbrecht, B.V.
Deposit date:2023-07-05
Release date:2023-07-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.502 Å)
Cite:New Insights into the Complement Receptor of the Ig Superfamily Obtained from Structural and Functional Studies on Two Mutants.
Immunohorizons, 7, 2023
8AS0
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BU of 8as0 by Molmil
PD-1 extracellular domain in complex with Fab fragment from D12 antibody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ongaro, T, Scietti, L, Pluss, L, Peissert, F, Villa, A, Puca, E, De Luca, R, Neri, D, Forneris, F.
Deposit date:2022-08-17
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Selection of a PD-1 blocking antibody from a novel fully human phage display library.
Protein Sci., 31, 2022
7NLD
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BU of 7nld by Molmil
Structure of human Programmed cell death 1 ligand 1 (PD-L1) with low molecular mass inhibitor
Descriptor: N-(2-((2'-chloro-3'-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-methoxy-[1,1'-biphenyl]-4-yl)(methyl)amino)ethyl)methanesulfonamide, Programmed cell death 1 ligand 1
Authors:Sala, D, Magiera-Mularz, K, Muszak, D, Surmiak, E, Grudnik, P, Holak, T.A.
Deposit date:2021-02-22
Release date:2021-08-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Terphenyl-Based Small-Molecule Inhibitors of Programmed Cell Death-1/Programmed Death-Ligand 1 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
1GYA
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BU of 1gya by Molmil
N-GLYCAN AND POLYPEPTIDE NMR SOLUTION STRUCTURES OF THE ADHESION DOMAIN OF HUMAN CD2
Descriptor: HUMAN CD2, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Wyss, D.F, Choi, J.S, Wagner, G.
Deposit date:1995-05-26
Release date:1996-11-08
Last modified:2020-07-29
Method:SOLUTION NMR
Cite:Conformation and function of the N-linked glycan in the adhesion domain of human CD2.
Science, 269, 1995
8GY5
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BU of 8gy5 by Molmil
High-resolution structure of the cemiplimab Fab in complex with PD-1
Descriptor: Programmed cell death protein 1, heavy chain, light chain
Authors:Heo, Y.-S, Jeong, T.J.
Deposit date:2022-09-21
Release date:2023-10-04
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:High-resolution structure of the cemiplimab Fab in complex with PD-1
To Be Published
8AOK
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BU of 8aok by Molmil
Complex of PD-L1 with VHH6
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Kang-Pettinger, T, Hall, G.
Deposit date:2022-08-08
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Identification, binding, and structural characterization of single domain anti-PD-L1 antibodies inhibitory of immune regulatory proteins PD-1 and CD80.
J.Biol.Chem., 299, 2023
8ALX
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BU of 8alx by Molmil
Structure of human PD-L1 in complex with inhibitor
Descriptor: 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, AMINOMETHYLAMIDE, ACETATE ION, ...
Authors:Rodriguez, I, Grudnik, P, Holak, T, Magiera-Mularz, K.
Deposit date:2022-08-01
Release date:2023-08-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Structural and biological characterization of pAC65, a macrocyclic peptide that blocks PD-L1 with equivalent potency to the FDA-approved antibodies.
Mol Cancer, 22, 2023
7MU8
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BU of 7mu8 by Molmil
Structure of the minimally glycosylated human CEACAM1 N-terminal domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Carcinoembryonic antigen-related cell adhesion molecule 1, GLYCEROL, ...
Authors:Belcher Dufrisne, M, Swope, N, Kieber, M, Yang, J.Y, Han, J, Li, J, Moremen, K.W, Prestegard, J.H, Columbus, L.
Deposit date:2021-05-14
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Human CEACAM1 N-domain dimerization is independent from glycan modifications.
Structure, 30, 2022
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
2W0K
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BU of 2w0k by Molmil
Crystal structure of 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 (2.35 Å)
Cite:A Single Mutation at the Sheet Switch Region Results in Conformational Changes Favoring Lambda6 Light-Chain Fibrillogenesis.
J.Mol.Biol., 396, 2010
7UVF
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BU of 7uvf by Molmil
Crystal structure of ZED8 Fab complex with CD8 alpha
Descriptor: CHLORIDE ION, GLYCEROL, Immunoglobulin heavy chain, ...
Authors:Yu, C, Davies, C, Koerber, J.T, Williams, S.
Deposit date:2022-05-01
Release date:2022-10-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Preclinical development of ZED8, an 89 Zr immuno-PET reagent for monitoring tumor CD8 status in patients undergoing cancer immunotherapy.
Eur J Nucl Med Mol Imaging, 50, 2023
7M41
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BU of 7m41 by Molmil
Structure of TIM-3 in complex with N-(4-(8-chloro-2-methyl-5-oxo-5,6-dihydro-[1,2,4]traizolo[1,5-c]quinazolin-9-yl)-3-methylphenyl)-1H-imidazole-2-sulfonamide (compound 38)
Descriptor: CALCIUM ION, Hepatitis A virus cellular receptor 2, N-{4-[(4S,10aP)-8-chloro-2-methyl-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]quinazolin-9-yl]-3-methylphenyl}-1H-imidazole-2-sulfonamide
Authors:Rietz, T.A.
Deposit date:2021-03-19
Release date:2021-10-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Fragment-Based Discovery of Small Molecules Bound to T-Cell Immunoglobulin and Mucin Domain-Containing Molecule 3 (TIM-3).
J.Med.Chem., 64, 2021
7M3Y
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BU of 7m3y by Molmil
Structure of TIM-3 in complex with 8-chloro-2-methyl-9-(3-mehtylpyridin-4-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one (compound 22)
Descriptor: (4R,10aP)-8-chloro-2-methyl-9-(3-methylpyridin-4-yl)[1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one, CALCIUM ION, Hepatitis A virus cellular receptor 2
Authors:Rietz, T.A.
Deposit date:2021-03-19
Release date:2021-10-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Fragment-Based Discovery of Small Molecules Bound to T-Cell Immunoglobulin and Mucin Domain-Containing Molecule 3 (TIM-3).
J.Med.Chem., 64, 2021
7UX5
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BU of 7ux5 by Molmil
Structure of PDL1 in complex with FP28136, a Helicon Polypeptide
Descriptor: Helicon FP28136, N,N'-(1,4-phenylene)diacetamide, Programmed cell death 1 ligand 1
Authors:Agarwal, S, Li, K, Tokareva, O, Thomson, T, Travaline, T, Wahl, S, Verdine, G, McGee, J.
Deposit date:2022-05-05
Release date:2022-12-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries.
Proc.Natl.Acad.Sci.USA, 119, 2022

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