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7CU5
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BU of 7cu5 by Molmil
N-Glycosylation of PD-1 and glycosylation dependent binding of PD-1 specific monoclonal antibody camrelizumab
Descriptor: 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, Programmed cell death protein 1, ...
Authors:Liu, K.F, Tan, S.G, Jin, W.J, Guan, J.W, Wang, W.L, Sun, H, Qi, J.X, Yan, J.H, Chai, Y, Wang, Z.F, Chu, X.D, Gao, G.F.
Deposit date:2020-08-21
Release date:2020-10-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:N-glycosylation of PD-1 promotes binding of camrelizumab.
Embo Rep., 21, 2020
7CGW
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BU of 7cgw by Molmil
Complex structure of PD-1 and tislelizumab Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of tislelizumab Fab, Light chain of tislelizumab Fab, ...
Authors:Hong, Y, Feng, Y.C, Liu, Y.
Deposit date:2020-07-02
Release date:2021-04-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Tislelizumab uniquely binds to the CC' loop of PD-1 with slow-dissociated rate and complete PD-L1 blockage.
Febs Open Bio, 11, 2021
7C88
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BU of 7c88 by Molmil
Complex structure of JS003 and PD-L1
Descriptor: JS003 Heavy chain, JS003 Light chain, Programmed cell death 1 ligand 1
Authors:Bi, X, Shi, R, Chai, Y, Qi, J, Yan, J, Tan, S.
Deposit date:2020-05-29
Release date:2021-04-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.997 Å)
Cite:Identification of a hotspot on PD-L1 for pH-dependent binding by monoclonal antibodies for tumor therapy.
Signal Transduct Target Ther, 5, 2020
7CZD
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BU of 7czd by Molmil
Crystal structure of PD-L1 in complex with a VHH
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Programmed cell death 1 ligand 1, ...
Authors:Wang, C.
Deposit date:2020-09-08
Release date:2021-07-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Generation of a safe and efficacious llama single-domain antibody fragment (vHH) targeting the membrane-proximal region of 4-1BB for engineering therapeutic bispecific antibodies for cancer.
J Immunother Cancer, 9, 2021
7ELX
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BU of 7elx by Molmil
The crystal structure of CTLA-4 and Fab
Descriptor: Cytotoxic T-lymphocyte protein 4, heavy chain of Fab, light chain of Fab
Authors:Yu, X.J, Wang, L, Yu, C.F.
Deposit date:2021-04-12
Release date:2021-06-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:The crystal structure of CTLA-4 and Fab
To Be Published
7E9B
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BU of 7e9b by Molmil
Structural basis of HLX10 PD-1 receptor recognition, a promising anti-PD-1 antibody clinical candidate for cancer immunotherapy
Descriptor: Programmed cell death protein 1, heavy chain of Fab fragment of HLX10, light chain of Fab fragment of HLX10
Authors:Fan, S.L, Jiang, W.D.
Deposit date:2021-03-04
Release date:2021-07-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural basis of HLX10 PD-1 receptor recognition, a promising anti-PD-1 antibody clinical candidate for cancer immunotherapy.
Plos One, 16, 2021
7DV4
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BU of 7dv4 by Molmil
Crystal structure of anti-CTLA-4 VH domain in complex with human CTLA-4
Descriptor: 1,2-ETHANEDIOL, 4003-1(VH), Cytotoxic T-lymphocyte protein 4
Authors:Li, H, Gan, X, He, Y.
Deposit date:2021-01-12
Release date:2022-01-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:An anti-CTLA-4 heavy chain-only antibody with enhanced T reg depletion shows excellent preclinical efficacy and safety profile.
Proc.Natl.Acad.Sci.USA, 119, 2022
7DY7
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BU of 7dy7 by Molmil
Discovery of Novel Small-molecule Inhibitors of PD-1/PD-L1 Axis that Promotes PD-L1 Internalization and Degradation
Descriptor: 2-[[3-[[5-(2-methyl-3-phenyl-phenyl)-1,3,4-oxadiazol-2-yl]amino]phenyl]methylamino]ethanol, Programmed cell death 1 ligand 1
Authors:Cheng, Y, Wang, T.Y, Lu, M.L, Jiang, S, Xiao, Y.B.
Deposit date:2021-01-20
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Discovery of Small-Molecule Inhibitors of the PD-1/PD-L1 Axis That Promote PD-L1 Internalization and Degradation.
J.Med.Chem., 65, 2022
6RQM
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BU of 6rqm by Molmil
A blocking anti-CTLA-4 Nanobody (KN044) complexed with CTLA-4
Descriptor: A blocking anti-CTLA-4 nanobody (KN044), Cytotoxic T-lymphocyte protein 4
Authors:Zhang, F, Zhou, A, Gao, H.
Deposit date:2019-05-16
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:A blocking anti-CTLA-4 Nanobody (KN044) complexed with CTLA-4
To Be Published
6RP8
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BU of 6rp8 by Molmil
Crystal Structure of Ipilimumab Fab complexed with CTLA-4 at 2.6A resolution
Descriptor: Antibody Ipilimumab heavy chain, Antibody Ipilimumab light chain, Cytotoxic T-lymphocyte protein 4
Authors:Zhang, F, Zhou, A.
Deposit date:2019-05-14
Release date:2020-07-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of Ipilimumab Fab complexed with CTLA-4 at 2.6A resolution
To Be Published
6RPG
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BU of 6rpg by Molmil
Structure of human Programmed cell death 1 ligand 1 (PD-L1) with inhibitor
Descriptor: Programmed cell death 1 ligand 1, ~{N}-[2-[[4-[[3-[3-[[4-[(2-acetamidoethylamino)methyl]-5-[(5-cyanopyridin-3-yl)methoxy]-2-methyl-phenoxy]methyl]-2-methyl-phenyl]-2-methyl-phenyl]methoxy]-2-[(5-cyanopyridin-3-yl)methoxy]-5-methyl-phenyl]methylamino]ethyl]ethanamide
Authors:Magiera-Mularz, K, Basu, S, Yang, J, Xu, B, Skalniak, L, Musielak, B, Kholodovych, V, Holak, T.A, Hu, L.
Deposit date:2019-05-14
Release date:2019-07-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Design, Synthesis, Evaluation, and Structural Studies ofC2-Symmetric Small Molecule Inhibitors of Programmed Cell Death-1/Programmed Death-Ligand 1 Protein-Protein Interaction.
J.Med.Chem., 62, 2019
6SM1
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BU of 6sm1 by Molmil
Wild type immunoglobulin light chain (WT-1)
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, Immunoglobulin lambda variable 2-14, ...
Authors:Kazman, P, Vielberg, M.-T, Cendales, M.D.P, Hunziger, L, Weber, B, Hegenbart, U, Zacharias, M, Koehler, R, Schoenland, S, Groll, M, Buchner, J.
Deposit date:2019-08-21
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Fatal amyloid formation in a patient's antibody light chain is caused by a single point mutation.
Elife, 9, 2020
6SRU
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BU of 6sru by Molmil
Structure of Ig-like V-type domian of mouse Programmed cell death 1 ligand 1 (PD-L1)
Descriptor: Programmed cell death 1 ligand 1
Authors:Magiera-Mularz, K, Sala, D, Grudnik, P, Holak, T.A.
Deposit date:2019-09-06
Release date:2021-02-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.532 Å)
Cite:Human and mouse PD-L1: similar molecular structure, but different druggability profiles.
Iscience, 24, 2021
6U6V
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BU of 6u6v by Molmil
Crystal structure of human PD-1H / VISTA
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, V-type immunoglobulin domain-containing suppressor of T-cell activation
Authors:Slater, B.T, Han, X, Chen, L, Xiong, Y.
Deposit date:2019-08-30
Release date:2020-01-01
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural insight into T cell coinhibition by PD-1H (VISTA).
Proc.Natl.Acad.Sci.USA, 117, 2020
6TXZ
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BU of 6txz by Molmil
FAB PART OF M6903 IN COMPLEX WITH HUMAN TIM3
Descriptor: Fab H, Fab L, Hepatitis A virus cellular receptor 2
Authors:Musil, D, Sood, V.
Deposit date:2020-01-15
Release date:2020-04-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Identification and characterization of M6903, an antagonistic anti-TIM-3 monoclonal antibody.
Oncoimmunology, 9, 2020
6UMV
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BU of 6umv by Molmil
Human apo PD-1 double mutant
Descriptor: CHLORIDE ION, Programmed cell death protein 1
Authors:Tang, S, Kim, P.S.
Deposit date:2019-10-10
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.424 Å)
Cite:A high-affinity human PD-1/PD-L2 complex informs avenues for small-molecule immune checkpoint drug discovery.
Proc.Natl.Acad.Sci.USA, 116, 2019
6UMU
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BU of 6umu by Molmil
Human apo PD-1 triple mutant
Descriptor: CHLORIDE ION, Programmed cell death protein 1
Authors:Tang, S, Kim, P.S.
Deposit date:2019-10-10
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.183 Å)
Cite:A high-affinity human PD-1/PD-L2 complex informs avenues for small-molecule immune checkpoint drug discovery.
Proc.Natl.Acad.Sci.USA, 116, 2019
6UMT
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BU of 6umt by Molmil
High-affinity human PD-1 PD-L2 complex
Descriptor: MAGNESIUM ION, Programmed cell death 1 ligand 2, Programmed cell death protein 1
Authors:Tang, S, Kim, P.S.
Deposit date:2019-10-10
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.986 Å)
Cite:A high-affinity human PD-1/PD-L2 complex informs avenues for small-molecule immune checkpoint drug discovery.
Proc.Natl.Acad.Sci.USA, 116, 2019
6V3P
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BU of 6v3p by Molmil
The BIgI domain of beta protein from S. agalactiae bound to CEACAM1
Descriptor: Carcinoembryonic antigen-related cell adhesion molecule 1, GLYCEROL, IgA FC receptor, ...
Authors:Bonsor, D.A, McCarthy, A.J.
Deposit date:2019-11-26
Release date:2020-12-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Bacterial protein domains with a novel Ig-like fold target human CEACAM receptors.
Embo J., 40, 2021
1A6W
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BU of 1a6w by Molmil
B1-8 FV FRAGMENT COMPLEXED WITH A (4-HYDROXY-5-IODO-3-NITROPHENYL) ACETATE COMPOUND
Descriptor: 4-HYDROXY-5-IODO-3-NITROPHENYLACETYL-EPSILON-AMINOCAPROIC ACID ANION, B1-8 FV (HEAVY CHAIN), B1-8 FV (LIGHT CHAIN)
Authors:Simon, T, Henrick, K, Hirshberg, M, Winter, G.
Deposit date:1998-03-03
Release date:1998-07-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-Ray Structures of Fv Fragment and its (4-Hydroxy-3-Nitrophenyl)Acetate Complex of Murine B1-8 Antibody
To be Published
1A7N
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BU of 1a7n by Molmil
FV FRAGMENT OF MOUSE MONOCLONAL ANTIBODY D1.3 (BALB/C, IGG1, K) VARIANT FOR CHAIN L GLU81->ASP AND CHAIN H LEU312->VAL
Descriptor: IGG1-KAPPA D1.3 FV (HEAVY CHAIN), IGG1-KAPPA D1.3 FV (LIGHT CHAIN)
Authors:Marks, C, Henrick, K, Winter, G.
Deposit date:1998-03-16
Release date:1998-04-29
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:X-Ray Structures of D1.3 Fv Mutants
To be Published
1A8J
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BU of 1a8j by Molmil
IMMUNOGLOBULIN LAMBDA LIGHT CHAIN DIMER (MCG) COMPLEX WITH ASPARTAME
Descriptor: IMMUNOGLOBULIN LAMBDA LIGHT CHAIN DIMER (MCG), N-L-ALPHA-ASPARTYL L-PHENYLALANINE 1-METHYL ESTER
Authors:Edmundson, A.B, Manion, C.V.
Deposit date:1998-03-26
Release date:1998-06-17
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Treatment of osteoarthritis with aspartame.
Clin.Pharmacol.Ther., 63, 1998
1A7P
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BU of 1a7p by Molmil
FV FRAGMENT OF MOUSE MONOCLONAL ANTIBODY D1.3 (BALB/C, IGG1, K) ENGINEERED MUTANT PRO95L->SER ON VARIANT CHAIN L GLU81->ASP AND CHAIN H LEU312->VAL
Descriptor: ACETIC ACID, IGG1-KAPPA D1.3 FV (HEAVY CHAIN), IGG1-KAPPA D1.3 FV (LIGHT CHAIN)
Authors:Marks, C, Henrick, K, Winter, G.
Deposit date:1998-03-16
Release date:1998-04-29
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:X-Ray Structures of D1.3 Fv Mutants
To be Published
1AC6
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BU of 1ac6 by Molmil
CRYSTAL STRUCTURE OF A VARIABLE DOMAIN MUTANT OF A T-CELL RECEPTOR ALPHA CHAIN
Descriptor: T-CELL RECEPTOR ALPHA
Authors:Li, H.-M, Mariuzza, R.A.
Deposit date:1997-02-13
Release date:1998-02-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Dual conformations of a T cell receptor V alpha homodimer: implications for variability in V alpha V beta domain association.
J.Mol.Biol., 269, 1997
1A7Q
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BU of 1a7q by Molmil
FV FRAGMENT OF MOUSE MONOCLONAL ANTIBODY D1.3 (BALB/C, IGG1, K) HIGH AFFINITY EXPRESSED VARIANT CONTAINING SER26L->GLY, ILE29L->THR, GLU81L->ASP, THR97L->SER, PRO240H->LEU, ASP258H->ALA, LYS281H->GLU, ASN283H->ASP AND LEU312H->VAL
Descriptor: IGG1-KAPPA D1.3 FV (HEAVY CHAIN), IGG1-KAPPA D1.3 FV (LIGHT CHAIN)
Authors:Marks, C, Henrick, K, Winter, G.
Deposit date:1998-03-16
Release date:1998-04-29
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-Ray Structures of D1.3 Fv Mutants
To be Published

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