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9EO0
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Small-Molecule Inhibitors of Programmed Cell Death-1/Programmed Death-Ligand 1
分子名称: 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
著者Plewka, J, Hec, A, Sitar, T, Holak, T.
登録日2024-03-14
公開日2024-06-19
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Nonsymmetrically Substituted 1,1'-Biphenyl-Based Small Molecule Inhibitors of the PD-1/PD-L1 Interaction.
Acs Med.Chem.Lett., 15, 2024
8YC0
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BU of 8yc0 by Molmil
T cell receptor V delta2 V gamma9 in GDN
分子名称: CHOLESTEROL, T cell receptor delta variable 2,T cell receptor delta constant, T cell receptor gamma variable 9,T cell receptor gamma constant 1, ...
著者Xin, W, Huang, B, Chi, X, Xu, M, Zhang, Y, Li, X, Su, Q, Zhou, Q.
登録日2024-02-17
公開日2024-05-08
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (4.12 Å)
主引用文献Structures of human gamma delta T cell receptor-CD3 complex.
Nature, 630, 2024
8RPB
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BU of 8rpb by Molmil
Structure of S79 Fab in complex with IgV domain of human PD-L1
分子名称: CHLORIDE ION, GLYCEROL, Programmed cell death 1 ligand 1, ...
著者Svensson, A, Kelpsas, V, Laursen, M, Rose, N.
登録日2024-01-15
公開日2024-06-19
実験手法X-RAY DIFFRACTION (2.794 Å)
主引用文献Structural analysis of light chain-driven bispecific antibodies targeting CD47 and PD-L1.
Mabs, 16, 2024
8XMN
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BU of 8xmn by Molmil
Voltage-gated sodium channel Nav1.7 variant M2
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Yan, N, Li, Z, Wu, Q, Huang, G.
登録日2023-12-27
公開日2024-03-06
実験手法ELECTRON MICROSCOPY (3.37 Å)
主引用文献Dissection of the structure-function relationship of Na v channels.
Proc.Natl.Acad.Sci.USA, 121, 2024
8XMO
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BU of 8xmo by Molmil
Voltage-gated sodium channel Nav1.7 variant M4
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Yan, N, Li, Z, Wu, Q, Huang, G.
登録日2023-12-27
公開日2024-03-06
実験手法ELECTRON MICROSCOPY (3.39 Å)
主引用文献Dissection of the structure-function relationship of Na v channels.
Proc.Natl.Acad.Sci.USA, 121, 2024
8XMM
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BU of 8xmm by Molmil
Voltage-gated sodium channel Nav1.7 variant M9
分子名称: (2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
著者Yan, N, Li, Z, Wu, Q, Huang, G.
登録日2023-12-27
公開日2024-03-06
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献Dissection of the structure-function relationship of Na v channels.
Proc.Natl.Acad.Sci.USA, 121, 2024
8R6Q
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BU of 8r6q by Molmil
Co-crystal structure of PD-L1 with low molecular weight inhibitor
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, Surmiak, E, Magiera-Mularz, K, Kalinowska-Tluscik, J.
登録日2023-11-22
公開日2024-01-17
最終更新日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
8X6B
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BU of 8x6b by Molmil
Crystal structure of immune receptor PVRIG in complex with ligand Nectin-2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Nectin-2, Transmembrane protein PVRIG
著者Hu, S.T, Han, P, Wang, H, Qi, J.X.
登録日2023-11-21
公開日2024-04-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for the immune recognition and selectivity of the immune receptor PVRIG for ligand Nectin-2.
Structure, 2024
8WYI
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BU of 8wyi by Molmil
T cell receptor delta 2 gamma 9 with TCRD TM domain chimera of TRAC
分子名称: Signal peptide,flag tag,T cell receptor delta variable 2,T cell receptor delta constant,T cell receptor alpha chain constant,T cell receptor delta variable 2,T cell receptor delta constant,T cell receptor alpha chain constant, Signal peptide,flag tag,T cell receptor gamma variable 9,T cell receptor gamma constant 1,T cell receptor gamma variable 9,T cell receptor gamma constant 1, T-cell surface glycoprotein CD3 delta chain, ...
著者Xin, W, Huang, B, Chi, X, Liu, Y, Xu, M, Zhang, Y, Li, X, Su, Q, Zhou, Q.
登録日2023-10-31
公開日2024-05-08
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structures of human gamma delta T cell receptor-CD3 complex.
Nature, 630, 2024
8WY0
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BU of 8wy0 by Molmil
T cell receptor delta 2 gamma 9 with F283A, F290A, and F291A
分子名称: CHOLESTEROL, Signal peptide,flag tag,T cell receptor delta variable 2,T cell receptor delta constant, Signal peptide,flag tag,T cell receptor gamma variable 9,T cell receptor gamma constant 1, ...
著者Xin, W, Huang, B, Chi, X, Liu, Y, Xu, M, Zhang, Y, Li, X, Su, Q, Zhou, Q.
登録日2023-10-30
公開日2024-05-08
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structures of human gamma delta T cell receptor-CD3 complex.
Nature, 630, 2024
8WXE
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BU of 8wxe by Molmil
Vgamma5Vdelta1 EH TCR-CD3 complex
分子名称: CHOLESTEROL, Signal peptide,flag tag,T cell receptor delta variable 1,T cell receptor delta constant, Signal peptide,flag tag,T cell receptor gamma variable 5,T cell receptor gamma constant 1, ...
著者Xin, W, Huang, B, Chi, X, Xu, M, Zhang, Y, Li, X, Su, Q, Zhou, Q.
登録日2023-10-28
公開日2024-05-08
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structures of human gamma delta T cell receptor-CD3 complex.
Nature, 630, 2024
8WUL
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BU of 8wul by Molmil
Crystal structure of affinity enhanced TCR in complex with HLA-A*11:01 bound to KRAS-G12V peptide (VVGAVGVGK)
分子名称: Beta-2-microglobulin, KRAS-G12V nonamer peptide, MHC class I antigen, ...
著者Zhang, M.Y, Luo, L.J, Xu, W, Guan, F.H, Wang, X.Y, Zhu, P, Zhang, J.H, Zhou, X.Y, Wang, F, Ye, S.
登録日2023-10-20
公開日2024-05-01
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Identification and affinity enhancement of T-cell receptor targeting a KRAS G12V cancer neoantigen.
Commun Biol, 7, 2024
8WTE
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BU of 8wte by Molmil
Crystal structure of TCR in complex with HLA-A*11:01 bound to KRAS-G12V peptide (VVGAVGVGK)
分子名称: Beta-2-microglobulin, KRAS-G12V nonamer peptide, MHC class I antigen (Fragment), ...
著者Zhang, M.Y, Luo, L.J, Xu, W, Guan, F.H, Wang, X.Y, Zhu, P, Zhang, J.H, Zhou, X.Y, Wang, F, Ye, S.
登録日2023-10-18
公開日2024-05-01
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Identification and affinity enhancement of T-cell receptor targeting a KRAS G12V cancer neoantigen.
Commun Biol, 7, 2024
8U31
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BU of 8u31 by Molmil
Crystal structure of PD-1 in complex with a Fab
分子名称: Fab heavy chain, Fab light chain, GLYCEROL, ...
著者Sun, D, Masureel, M.
登録日2023-09-07
公開日2024-06-19
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Structure- and machine learning-guided engineering demonstrate that a non-canonical disulfide in an anti-PD-1 rabbit antibody does not impede antibody developability.
Mabs, 16, 2024
8U32
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BU of 8u32 by Molmil
Crystal structure of PD-1 in complex with a Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain, Fab light chain, ...
著者Sun, D, Masureel, M.
登録日2023-09-07
公開日2024-06-19
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Structure- and machine learning-guided engineering demonstrate that a non-canonical disulfide in an anti-PD-1 rabbit antibody does not impede antibody developability.
Mabs, 16, 2024
8QH1
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BU of 8qh1 by Molmil
Crystal structure of the SARS-CoV-2 RBD from the Omicron BA4 variant with the antibody Cv2.3194
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cv2.3194 heavy chain, IGK@ protein, ...
著者Fernandez, I, Rey, F.A.
登録日2023-09-06
公開日2024-06-19
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Pan-neutralizing antibody isolated from a COVID patient
To Be Published
8QH0
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BU of 8qh0 by Molmil
Crystal structure of the SARS-CoV-2 RBD with the antibody Cv2.3194
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cv2.3194 Heavy chain, GLYCEROL, ...
著者Fernandez, I, Rey, F.A.
登録日2023-09-06
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献A broadly neutralizing antibody against SARS-CoV-2 Omicron variants
To Be Published
8TQK
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BU of 8tqk by Molmil
Human parainfluenza virus type 3 prefusion F trimer in complex with rPIV3-18 Fab
分子名称: Fusion glycoprotein F0, Heavy chain Fab rPIV3-18, Light chain Fab rPIV3-28
著者Otrelo-Cardoso, A.R, Jardetzky, T.S.
登録日2023-08-07
公開日2024-04-24
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Functional and structural characteristics of human monoclonal antibodies that potently neutralize human parainfluenza virus type 3
To be published
8K5N
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BU of 8k5n by Molmil
Discovery of Novel PD-L1 Inhibitors That Induce Dimerization and Degradation of PD-L1 Based on Fragment Coupling Strategy
分子名称: 3-[(1~{S})-1-[6-methoxy-3-methyl-5-[[[(2~{S})-5-oxidanylidenepyrrolidin-2-yl]methylamino]methyl]pyridin-2-yl]oxy-2,3-dihydro-1~{H}-inden-4-yl]-2-methyl-~{N}-[5-[[[(2~{S})-5-oxidanylidenepyrrolidin-2-yl]methylamino]methyl]pyridin-2-yl]benzamide, Programmed cell death 1 ligand 1
著者Cheng, Y, Xiao, Y.B.
登録日2023-07-22
公開日2024-01-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of Novel PD-L1 Inhibitors That Induce the Dimerization, Internalization, and Degradation of PD-L1 Based on the Fragment Coupling Strategy.
J.Med.Chem., 66, 2023
8THH
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BU of 8thh by Molmil
Cryo-EM structure of Nav1.7 with LTG
分子名称: (6M)-6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
著者Fan, X, Huang, J, Yan, N.
登録日2023-07-16
公開日2023-11-22
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Dual-pocket inhibition of Na v channels by the antiepileptic drug lamotrigine.
Proc.Natl.Acad.Sci.USA, 120, 2023
8THG
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BU of 8thg by Molmil
Cryo-EM structure of Nav1.7 with RLZ
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Fan, X, Huang, J, Yan, N.
登録日2023-07-16
公開日2023-11-22
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Dual-pocket inhibition of Na v channels by the antiepileptic drug lamotrigine.
Proc.Natl.Acad.Sci.USA, 120, 2023
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
分子名称: V-set and immunoglobulin domain-containing protein 4
著者Abram, T.G, Geisbrecht, B.V.
登録日2023-07-05
公開日2023-07-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.251 Å)
主引用文献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
分子名称: V-set and immunoglobulin domain-containing protein 4
著者Abram, T.G, Geisbrecht, B.V.
登録日2023-07-05
公開日2023-07-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.502 Å)
主引用文献New Insights into the Complement Receptor of the Ig Superfamily Obtained from Structural and Functional Studies on Two Mutants.
Immunohorizons, 7, 2023
8TBQ
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BU of 8tbq by Molmil
The crystal structure of human VISTA extra cellular domain in complex with Fab fragment of pH-selective anti-VISTA antibody
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, SNS-101 Fab heavy chain, ...
著者van der Horst, E.H, Mukherjee, A, Thisted, T.
登録日2023-06-29
公開日2024-03-20
実験手法X-RAY DIFFRACTION (2.593 Å)
主引用文献The pH-selective anti-VISTA antibody SNS-101 displays a favorable pharmacokinetic and safety profile and promotes anti-tumoral M1 macrophage polarization in PD-1 refractory settings
To Be Published
8SZY
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BU of 8szy by Molmil
Crystal Structure of Heterotrimeric Anti-TIGIT Fabs in complex with human TIGIT
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, BMS-986207 Fab Heavy Chain, BMS-986207 light chain, ...
著者Diong, S.J, Lee, P.S.
登録日2023-05-30
公開日2023-09-20
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Biophysical characterization of PVR family interactions and therapeutic antibody recognition to TIGIT.
Mabs, 15, 2023

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件を2024-07-10に公開中

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