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8JBA
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Discovery and Crystallography Study of Novel Oxadiazole Analogs as Small Molecule PD-1/PD-L1 inhibitors
Descriptor: (2~{S})-2-[[3-[[5-[(2-methyl-3-phenyl-phenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]phenyl]methylamino]-3-oxidanyl-propanoic acid, Programmed cell death 1 ligand 1
Authors:Cheng, Y, Xiao, Y.B.
Deposit date:2023-05-08
Release date:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery and Crystallography Study of Novel Biphenyl Ether and Oxadiazole Thioether (Non-Arylmethylamine)-Based Small-Molecule PD-1/PD-L1 Inhibitors as Immunotherapeutic Agents.
J.Med.Chem., 66, 2023
8JBV
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Extracellular domain of gamma delta TCR
Descriptor: T cell receptor delta variable 1,T cell receptor delta constant, T cell receptor gamma variable 5,T cell receptor gamma constant 1
Authors:Xin, W, Chi, X, Huang, B, Su, Q, Zhou, Q.
Deposit date:2023-05-09
Release date:2024-05-08
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.02 Å)
Cite:Structures of human gamma delta T cell receptor-CD3 complex.
Nature, 630, 2024
8JC0
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V gamma9 V delta2 TCR and CD3 complex in LMNG
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:2023-05-10
Release date:2024-05-08
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structures of human gamma delta T cell receptor-CD3 complex.
Nature, 630, 2024
8JCB
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BU of 8jcb by Molmil
Vgamma5 Vdelta1 T cell receptor complex
Descriptor: T cell receptor delta variable 1,T cell receptor delta constant, T cell receptor gamma variable 5,T cell receptor gamma constant 1, T-cell surface glycoprotein CD3 delta chain, ...
Authors:Xin, W, Huang, B, Chi, X, Xu, M, Zhang, Y, Li, X, Su, Q, Zhou, Q.
Deposit date:2023-05-10
Release date:2024-05-08
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (9.5 Å)
Cite:Structures of human gamma delta T cell receptor-CD3 complex.
Nature, 630, 2024
8P1O
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BU of 8p1o by Molmil
Solubilizer tag effect on PD-L1/inhibitor binding properties for m-terphenyl derivatives
Descriptor: (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, ...
Authors:Plewka, J, Magiera-Mularz, K, Surmiak, E, Kalinowska-Tluscik, J, Holak, T.A.
Deposit date:2023-05-12
Release date:2024-01-31
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Solubilizer Tag Effect on PD-L1/Inhibitor Binding Properties for m -Terphenyl Derivatives.
Acs Med.Chem.Lett., 15, 2024
8JEL
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BU of 8jel by Molmil
Crystal structure of TIGIT in complexed with Ociperlimab, crystal form I
Descriptor: T-cell immunoreceptor with Ig and ITIM domains, antibody heavy chain, antibody light chain
Authors:Sun, J, Zhang, X.X, Song, J.
Deposit date:2023-05-16
Release date:2024-02-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural insights into the unique pH-responsive characteristics of the anti-TIGIT therapeutic antibody Ociperlimab.
Structure, 32, 2024
8JEO
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Crystal structure of TIGIT in complexed with Tiragolumab
Descriptor: T-cell immunoreceptor with Ig and ITIM domains, antibody heavy chain, antibody light chain
Authors:Sun, J, Zhang, X.X, Song, J.
Deposit date:2023-05-16
Release date:2024-02-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Structural insights into the unique pH-responsive characteristics of the anti-TIGIT therapeutic antibody Ociperlimab.
Structure, 32, 2024
8JEN
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Crystal structure of TIGIT in complexed with Ociperlimab, crystal form II
Descriptor: T-cell immunoreceptor with Ig and ITIM domains, antibody heavy chain, antibody light chain
Authors:Sun, J, Zhang, X.X, Song, J.
Deposit date:2023-05-16
Release date:2024-02-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structural insights into the unique pH-responsive characteristics of the anti-TIGIT therapeutic antibody Ociperlimab.
Structure, 32, 2024
8SVE
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BU of 8sve by Molmil
Structure of Monomeric Interleukin-10 Grafted into and Antibody CDR
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Fab Heavy chain, ...
Authors:DiDonato, M, Spraggon, G.
Deposit date:2023-05-16
Release date:2024-05-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A Novel Interleukin-10 Antibody Graft to Treat Inflammatory Bowel Disease.
To Be Published
8P64
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Co-crystal structure of PD-L1 with low molecular weight inhibitor
Descriptor: 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
Authors:Plewka, J, Magiera-Mularz, K, van der Straat, R, Draijer, R, Surmiak, E, Butera, R, Land, L, Musielak, B, Domling, A.
Deposit date:2023-05-25
Release date:2024-03-06
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (3.312 Å)
Cite:1,5-Disubstituted tetrazoles as PD-1/PD-L1 antagonists.
Rsc Med Chem, 15, 2024
8SZY
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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
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
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
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
Last modified:2024-10-02
Method:X-RAY DIFFRACTION (2.593 Å)
Cite:VISTA checkpoint inhibition by pH-selective antibody SNS-101 with optimized safety and pharmacokinetic profiles enhances PD-1 response.
Nat Commun, 15, 2024
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
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
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
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
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
Descriptor: 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
Authors:Cheng, Y, Xiao, Y.B.
Deposit date:2023-07-22
Release date:2024-01-03
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
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
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
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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cv2.3194 heavy chain, IGK@ protein, ...
Authors:Fernandez, I, Rey, F.A.
Deposit date:2023-09-06
Release date:2024-06-19
Method:X-RAY DIFFRACTION (2.65 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cv2.3194 Heavy chain, GLYCEROL, ...
Authors:Fernandez, I, Rey, F.A.
Deposit date:2023-09-06
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:A broadly neutralizing antibody against SARS-CoV-2 Omicron variants
To Be Published
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

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PDB entries from 2024-10-09

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