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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
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
8YC0
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BU of 8yc0 by Molmil
T cell receptor V delta2 V gamma9 in GDN
Descriptor: CHOLESTEROL, T cell receptor delta variable 2,T cell receptor delta constant, T cell receptor gamma variable 9,T cell receptor gamma constant 1, ...
Authors:Xin, W, Huang, B, Chi, X, Xu, M, Zhang, Y, Li, X, Su, Q, Zhou, Q.
Deposit date:2024-02-17
Release date:2024-05-08
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (4.12 Å)
Cite:Structures of human gamma delta T cell receptor-CD3 complex.
Nature, 630, 2024
8XMO
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BU of 8xmo by Molmil
Voltage-gated sodium channel Nav1.7 variant M4
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yan, N, Li, Z, Wu, Q, Huang, G.
Deposit date:2023-12-27
Release date:2024-03-06
Method:ELECTRON MICROSCOPY (3.39 Å)
Cite:Dissection of the structure-function relationship of Na v channels.
Proc.Natl.Acad.Sci.USA, 121, 2024
8XMN
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BU of 8xmn by Molmil
Voltage-gated sodium channel Nav1.7 variant M2
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yan, N, Li, Z, Wu, Q, Huang, G.
Deposit date:2023-12-27
Release date:2024-03-06
Method:ELECTRON MICROSCOPY (3.37 Å)
Cite: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
Descriptor: (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, ...
Authors:Yan, N, Li, Z, Wu, Q, Huang, G.
Deposit date:2023-12-27
Release date:2024-03-06
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Dissection of the structure-function relationship of Na v channels.
Proc.Natl.Acad.Sci.USA, 121, 2024
8X6B
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BU of 8x6b by Molmil
Crystal structure of immune receptor PVRIG in complex with ligand Nectin-2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Nectin-2, Transmembrane protein PVRIG
Authors:Hu, S.T, Han, P, Wang, H, Qi, J.X.
Deposit date:2023-11-21
Release date:2024-04-24
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for the immune recognition and selectivity of the immune receptor PVRIG for ligand Nectin-2.
Structure, 32, 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
Descriptor: 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, ...
Authors:Xin, W, Huang, B, Chi, X, Liu, Y, Xu, M, Zhang, Y, Li, X, Su, Q, Zhou, Q.
Deposit date:2023-10-31
Release date:2024-05-08
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite: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
Descriptor: 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, ...
Authors:Xin, W, Huang, B, Chi, X, Liu, Y, Xu, M, Zhang, Y, Li, X, Su, Q, Zhou, Q.
Deposit date:2023-10-30
Release date:2024-05-08
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite: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
Descriptor: 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, ...
Authors:Xin, W, Huang, B, Chi, X, Xu, M, Zhang, Y, Li, X, Su, Q, Zhou, Q.
Deposit date:2023-10-28
Release date:2024-05-08
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (4 Å)
Cite: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)
Descriptor: Beta-2-microglobulin, KRAS-G12V nonamer peptide, MHC class I antigen, ...
Authors: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.
Deposit date:2023-10-20
Release date:2024-05-01
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.36 Å)
Cite: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)
Descriptor: Beta-2-microglobulin, KRAS-G12V nonamer peptide, MHC class I antigen (Fragment), ...
Authors: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.
Deposit date:2023-10-18
Release date:2024-05-01
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Identification and affinity enhancement of T-cell receptor targeting a KRAS G12V cancer neoantigen.
Commun Biol, 7, 2024
8U32
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BU of 8u32 by Molmil
Crystal structure of PD-1 in complex with a Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain, Fab light chain, ...
Authors:Sun, D, Masureel, M.
Deposit date:2023-09-07
Release date:2024-06-19
Method:X-RAY DIFFRACTION (2.51 Å)
Cite: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
8U31
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BU of 8u31 by Molmil
Crystal structure of PD-1 in complex with a Fab
Descriptor: Fab heavy chain, Fab light chain, GLYCEROL, ...
Authors:Sun, D, Masureel, M.
Deposit date:2023-09-07
Release date:2024-06-19
Method:X-RAY DIFFRACTION (2.73 Å)
Cite: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
8U0Y
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BU of 8u0y by Molmil
Bacterial protein cpx
Descriptor: Fluorescent protein, PHYCOUROBILIN, Receptor A, ...
Authors:Gully, B.S, Rossjohn, J.
Deposit date:2023-08-29
Release date:2024-09-04
Method:X-RAY DIFFRACTION (3 Å)
Cite:Bacterial protein cpx
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
Descriptor: Fusion glycoprotein F0, Heavy chain Fab rPIV3-18, Light chain Fab rPIV3-28
Authors:Otrelo-Cardoso, A.R, Jardetzky, T.S.
Deposit date:2023-08-07
Release date:2024-04-24
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Functional and structural characteristics of human monoclonal antibodies that potently neutralize human parainfluenza virus type 3
To be published
8THH
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BU of 8thh by Molmil
Cryo-EM structure of Nav1.7 with LTG
Descriptor: (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, ...
Authors:Fan, X, Huang, J, Yan, N.
Deposit date:2023-07-16
Release date:2023-11-22
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite: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
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Fan, X, Huang, J, Yan, N.
Deposit date:2023-07-16
Release date:2023-11-22
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Dual-pocket inhibition of Na v channels by the antiepileptic drug lamotrigine.
Proc.Natl.Acad.Sci.USA, 120, 2023
8TFT
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BU of 8tft by Molmil
Fab of O13-1 human IgG1 antibody bound to IgV domain of human TIM-3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, O-13-1 IgG1 Fab heavy chain, O-13-1 IgG1 Fab light chain, ...
Authors:Oganesyan, V.Y, van Dyk, N, Mazor, Y, Yang, C.
Deposit date:2023-07-11
Release date:2024-08-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Generation of AZD7789, a novel PD-1 and TIM-3 targeting bispecific antibody, which binds to a differentiated epitope of TIM-3
To be published
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
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
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, SNS-101 Fab heavy chain, ...
Authors:van der Horst, E.H, Mukherjee, A, Thisted, T.
Deposit date:2023-06-29
Release date:2024-03-20
Method:X-RAY DIFFRACTION (2.593 Å)
Cite: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
8TBB
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BU of 8tbb by Molmil
F9S, novel TIM-3 targeting antibody, bound to IgV domain of TIM-3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, F9S Fab heavy chain, F9S Fab light chain, ...
Authors:Oganesyan, V, van Dyk, N, Mazor, Y, Yang, C.
Deposit date:2023-06-28
Release date:2024-08-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Generation of AZD7789, a novel PD-1 and TIM-3 targeting bispecific antibody, which binds to a differentiated epitope of TIM-3
To be published
8T4Z
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BU of 8t4z by Molmil
T-cell receptor and lipid complex structure
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, Beta-2-microglobulin, ...
Authors:Praveena, T, Rossjohn, J.
Deposit date:2023-06-12
Release date:2024-08-07
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (2.691 Å)
Cite:Lipidomic scanning of self-lipids identifies headless antigens for natural killer T cells.
Proc.Natl.Acad.Sci.USA, 121, 2024
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

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PDB entries from 2024-09-18

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