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8HIT
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BU of 8hit by Molmil
Crystal structure of anti-CTLA-4 humanized IgG1 MAb--JS007 in complex with human CTLA-4
分子名称: Cytotoxic T-lymphocyte protein 4, JS007-VH, JS007-VL
著者Tan, S, Shi, Y, Wang, Q, Gao, G.F, Guan, J, Chai, Y, Qi, J.
登録日2022-11-21
公開日2023-02-01
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Characterization of the high-affinity anti-CTLA-4 monoclonal antibody JS007 for immune checkpoint therapy of cancer.
Mabs, 15, 2023
7AH1
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BU of 7ah1 by Molmil
L19 diabody fragment from immunocytokine L19-IL2
分子名称: Anti-(ED-B) scFV
著者Ongaro, T, Guarino, S.R, Scietti, L, Palamini, M, Wulhfard, S, Villa, A, Neri, D, Forneris, F.
登録日2020-09-23
公開日2021-02-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Inference of molecular structure for characterization and improvement of clinical grade immunocytokines.
J.Struct.Biol., 213, 2021
7OUN
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BU of 7oun by Molmil
Structure of human PD-L1 in complex with macrocyclic inhibitor
分子名称: Programmed cell death 1 ligand 1, macrocyclic peptide
著者Zyla, E, Dubin, G.
登録日2021-06-12
公開日2021-09-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Characterization of a Macrocyclic Peptide Modulator of the PD-1/PD-L1 Immune Checkpoint Axis.
Molecules, 26, 2021
4DFH
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BU of 4dfh by Molmil
Crystal structure of cell adhesion molecule nectin-2/CD112 variable domain
分子名称: Poliovirus receptor-related protein 2
著者Liu, J, Qian, X, Chen, Z, Xu, X, Gao, F, Zhang, S, Zhang, R, Qi, J, Gao, G.F, Yan, J.
登録日2012-01-23
公開日2012-06-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structure of Cell Adhesion Molecule Nectin-2/CD112 and Its Binding to Immune Receptor DNAM-1/CD226
J.Immunol., 188, 2012
6PLL
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BU of 6pll by Molmil
Crystal structure of the ZIG-8 IG1 homodimer
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Zwei Ig domain protein zig-8
著者Cheng, S, Ozkan, E.
登録日2019-07-01
公開日2020-07-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.693 Å)
主引用文献Family of neural wiring receptors in bilaterians defined by phylogenetic, biochemical, and structural evidence.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
5J8O
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BU of 5j8o by Molmil
Structure of human Programmed cell death 1 ligand 1 (PD-L1) with low molecular mass inhibitor
分子名称: (2R)-1-({3-bromo-4-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]phenyl}methyl)piperidine-2-carboxylic acid, Programmed cell death 1 ligand 1
著者Zak, K.M, Grudnik, P, Guzik, K, Zieba, B.J, Musielak, B, Doemling, P, Dubin, G, Holak, T.A.
登録日2016-04-08
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for small molecule targeting of the programmed death ligand 1 (PD-L1).
Oncotarget, 7, 2016
8P1O
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BU of 8p1o by Molmil
Solubilizer tag effect on PD-L1/inhibitor binding properties for m-terphenyl derivatives
分子名称: (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, ...
著者Plewka, J, Magiera-Mularz, K, Surmiak, E, Kalinowska-Tluscik, J, Holak, T.A.
登録日2023-05-12
公開日2024-01-31
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Solubilizer Tag Effect on PD-L1/Inhibitor Binding Properties for m -Terphenyl Derivatives.
Acs Med.Chem.Lett., 15, 2024
8P64
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BU of 8p64 by Molmil
Co-crystal structure of PD-L1 with low molecular weight inhibitor
分子名称: Programmed cell death 1 ligand 1, ~{N}-[[1-[(~{E})-2-(2-methyl-3-phenyl-phenyl)ethenyl]-1,2,3,4-tetrazol-5-yl]methyl]ethanamine
著者Plewka, J, Magiera-Mularz, K, van der Straat, R, Draijer, R, Surmiak, E, Butera, R, Land, L, Musielak, B, Domling, A.
登録日2023-05-25
公開日2024-03-06
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (3.312 Å)
主引用文献1,5-Disubstituted tetrazoles as PD-1/PD-L1 antagonists.
Rsc Med Chem, 15, 2024
1GYA
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BU of 1gya by Molmil
N-GLYCAN AND POLYPEPTIDE NMR SOLUTION STRUCTURES OF THE ADHESION DOMAIN OF HUMAN CD2
分子名称: 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
著者Wyss, D.F, Choi, J.S, Wagner, G.
登録日1995-05-26
公開日1996-11-08
最終更新日2020-07-29
実験手法SOLUTION NMR
主引用文献Conformation and function of the N-linked glycan in the adhesion domain of human CD2.
Science, 269, 1995
4LRN
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BU of 4lrn by Molmil
Ontogeny of recognition specificity and functionality for the anti-HIV antibody 4E10
分子名称: GEP 1 heavy chain, GEP 1 light chain
著者Finton, K.A.K.
登録日2013-07-20
公開日2014-10-08
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Ontogeny of Recognition Specificity and Functionality for the Broadly Neutralizing Anti-HIV Antibody 4E10.
Plos Pathog., 10, 2014
3BX7
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BU of 3bx7 by Molmil
Engineered Human Lipocalin 2 (LCN2) in Complex with the Extracellular Domain of Human CTLA-4
分子名称: CYTOTOXIC T-LYMPHOCYTE-ASSOCIATED ANTIGEN 4, ENGINEERED HUMAN LIPOCALIN 2
著者Schonfeld, D.L, Chatwell, L, Skerra, A.
登録日2008-01-11
公開日2009-01-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献High affinity molecular recognition and functional blockade of CTLA-4 by an engineered human lipocalin
To be Published
5XAW
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BU of 5xaw by Molmil
Parallel homodimer structures of voltage-gated sodium channel beta4 for cell-cell adhesion
分子名称: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, GLYCEROL, Sodium channel subunit beta-4, ...
著者Shimizu, H, Yokoyama, S.
登録日2017-03-15
公開日2017-07-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Parallel homodimer structures of the extracellular domains of the voltage-gated sodium channel beta 4 subunit explain its role in cell-cell adhesion
J. Biol. Chem., 292, 2017
7SJQ
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BU of 7sjq by Molmil
Ex silico engineering of cystine-dense peptides yielding a potent bispecific T-cell engager
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cystine-dense peptide, GLYCEROL, ...
著者Rupert, P.B, Strong, R.
登録日2021-10-18
公開日2022-06-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Ex silico engineering of cystine-dense peptides yielding a potent bispecific T cell engager.
Sci Transl Med, 14, 2022
5XO2
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BU of 5xo2 by Molmil
Crystal structure of human paired immunoglobulin-like type 2 receptor alpha with synthesized glycopeptide II
分子名称: N-acetyl-alpha-neuraminic acid-(2-6)-2-acetamido-2,4-dideoxy-alpha-D-xylo-hexopyranose, Paired immunoglobulin-like type 2 receptor alpha, Peptide from Envelope glycoprotein B
著者Furukawa, A, Kakita, K, Yamada, T, Ishizuka, M, Sakamoto, J, Hatori, N, Maeda, N, Ohsaka, F, Saitoh, T, Nomura, T, Kuroki, K, Nambu, H, Arase, H, Matsunaga, S, Anada, M, Ose, T, Hashimoto, S, Maenaka, K.
登録日2017-05-25
公開日2017-10-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.201 Å)
主引用文献Structural and thermodynamic analyses reveal critical features of glycopeptide recognition by the human PILR alpha immune cell receptor.
J. Biol. Chem., 292, 2017
5XP1
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BU of 5xp1 by Molmil
Structure of monomeric mutant of REI immunoglobulin light chain variable domain crystallized at pH 6
分子名称: Immunoglobulin kappa variable 1D-33
著者Mine, S, Nakamura, T, Uegaki, K, Hamada, D.
登録日2017-05-31
公開日2017-08-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Heat-induced native dimerization prevents amyloid formation by variable domain from immunoglobulin light-chain REI
FEBS J., 284, 2017
5XPV
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BU of 5xpv by Molmil
Structure of the V domain of amphioxus IgVJ-C2
分子名称: amphioxus IgVJ-C2
著者Chen, R, Qi, J, Zhang, N, Zhang, L, Yao, S, Wu, Y, Jiang, B, Wang, Z, Yuan, H, Zhang, Q, Xia, C.
登録日2017-06-05
公開日2018-04-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery and Analysis of Invertebrate IgVJ-C2 Structure from Amphioxus Provides Insight into the Evolution of the Ig Superfamily.
J. Immunol., 200, 2018
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
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cytotoxic T-lymphocyte protein 4, Fab heavy chain, ...
著者Lee, P.S, Chau, B, Strop, P.
登録日2021-11-15
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Improved therapeutic index of an acidic pH-selective antibody.
Mabs, 14, 2022
7QUI
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BU of 7qui by Molmil
Crystal structure of the N-terminal domain of Siglec-8 in complex with sulfonamide sialoside analogue
分子名称: (2~{S},4~{S},5~{R},6~{R})-5-acetamido-2-[(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-acetamido-2-(hydroxymethyl)-4,6-bis(oxidanyl)oxan-3-yl]oxy-3,5-bis(oxidanyl)-6-(sulfooxymethyl)oxan-4-yl]oxy-6-[(1~{R},2~{R})-3-(naphthalen-2-ylsulfonylamino)-1,2-bis(oxidanyl)propyl]-4-oxidanyl-oxane-2-carboxylic acid, Sialic acid-binding Ig-like lectin 8
著者Lenza, M.P, Oyenarte, I, Atxabal, U, Nycholat, C, Franconetti, A, Quintana, J.I, Delgado, S, Unione, L, Paulson, J, Jimenez-Barbero, J, Ereno-Orbea, J.
登録日2022-01-18
公開日2023-01-18
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.352 Å)
主引用文献Structures of the Inhibitory Receptor Siglec-8 in Complex with a High-Affinity Sialoside Analogue and a Therapeutic Antibody.
Jacs Au, 3, 2023
7QU6
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BU of 7qu6 by Molmil
Crystal structure of the N-terminal domain of Siglec-8
分子名称: Sialic acid-binding Ig-like lectin 8
著者Lenza, M.P, Atxabal, U, Nycholat, C.M, Oyenarte, I, Paulson, J.C, Franconetti, A, Quintana, J.I, Unione, L, Delgado, S, Jimenez-Barbero, J, Ereno-Orbea, J.
登録日2022-01-17
公開日2023-01-18
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Structures of the Inhibitory Receptor Siglec-8 in Complex with a High-Affinity Sialoside Analogue and a Therapeutic Antibody.
Jacs Au, 3, 2023
7RPP
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BU of 7rpp by Molmil
Crystal structure of human CEACAM1 with GFCC' and ABED face
分子名称: 1,2-ETHANEDIOL, Carcinoembryonic antigen-related cell adhesion molecule 1
著者Gandhi, A.K, Kim, W.M, Sun, Z.-Y, Huang, Y.H, Petsko, G.A, Blumberg, R.S.
登録日2021-08-04
公開日2022-08-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural analysis of human CEACAM1 oligomerization.
Commun Biol, 5, 2022
6Y6C
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BU of 6y6c by Molmil
TREM2 extracellular domain (19-174) in complex with single-chain variable fragment (scFv-4)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Single chain variable, Triggering receptor expressed on myeloid cells 2
著者Szykowska, A, Preger, C, Williams, E, Mukhopadhyay, S.M.M, McKinley, G, Gruslund, S, Wigren, E, Persson, H, Arrowsmith, C.H, Edwards, A, von Delft, F, Bountra, C, Davis, J.B, Di Daniel, E, Burgess-Brown, N, Bullock, A.
登録日2020-02-26
公開日2021-02-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Selection and structural characterization of anti-TREM2 scFvs that reduce levels of shed ectodomain.
Structure, 29, 2021
6YMQ
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BU of 6ymq by Molmil
TREM2 extracellular domain (19-131) in complex with single-chain variable 4 (scFv-4)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Single-chain variable 4, ...
著者Szykowska, A, Preger, C, Scacioc, A, Mukhopadhyay, S.M.M, McKinley, G, Graslund, S, Wigren, E, Persson, H, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Di Daniel, E, Davis, J.B, Burgess-Brown, N, Bullock, A.
登録日2020-04-09
公開日2021-02-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.07 Å)
主引用文献Selection and structural characterization of anti-TREM2 scFvs that reduce levels of shed ectodomain.
Structure, 29, 2021
6YYE
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BU of 6yye by Molmil
TREM2 extracellular domain (19-131) in complex with single-chain variable fragment (scFv-2)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, TREM2 Single chain variable 2, Triggering receptor expressed on myeloid cells 2
著者Szykowska, A, Preger, C, Krojer, T, Mukhopadhyay, S.M.M, McKinley, G, Graslund, S, Wigren, E, Persson, H, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Di Daniel, E, Burgess-Brown, N, Bullock, A.
登録日2020-05-04
公開日2021-02-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.36 Å)
主引用文献Selection and structural characterization of anti-TREM2 scFvs that reduce levels of shed ectodomain.
Structure, 29, 2021
6Z1I
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BU of 6z1i by Molmil
AL amyloid fibril from a lambda 3 light chain in conformation B
分子名称: lambda 3 light chain fragment, residues 2-116
著者Radamaker, L, Fandrich, M.
登録日2020-05-13
公開日2021-02-24
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Cryo-EM reveals structural breaks in a patient-derived amyloid fibril from systemic AL amyloidosis.
Nat Commun, 12, 2021
6Z1O
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BU of 6z1o by Molmil
AL amyloid fibril from a lambda 3 light chain in conformation A
分子名称: lambda 3 immunoglobulin light chain fragment, residues 2-116
著者Radamaker, L, Fandrich, M.
登録日2020-05-14
公開日2021-02-24
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM reveals structural breaks in a patient-derived amyloid fibril from systemic AL amyloidosis.
Nat Commun, 12, 2021

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