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6SRU
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Structure of Ig-like V-type domian of mouse Programmed cell death 1 ligand 1 (PD-L1)
分子名称: Programmed cell death 1 ligand 1
著者Magiera-Mularz, K, Sala, D, Grudnik, P, Holak, T.A.
登録日2019-09-06
公開日2021-02-03
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.532 Å)
主引用文献Human and mouse PD-L1: similar molecular structure, but different druggability profiles.
Iscience, 24, 2021
8JBA
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BU of 8jba by Molmil
Discovery and Crystallography Study of Novel Oxadiazole Analogs as Small Molecule PD-1/PD-L1 inhibitors
分子名称: (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
著者Cheng, Y, Xiao, Y.B.
登録日2023-05-08
公開日2023-10-25
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献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
7M3Y
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Structure of TIM-3 in complex with 8-chloro-2-methyl-9-(3-mehtylpyridin-4-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one (compound 22)
分子名称: (4R,10aP)-8-chloro-2-methyl-9-(3-methylpyridin-4-yl)[1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one, CALCIUM ION, Hepatitis A virus cellular receptor 2
著者Rietz, T.A.
登録日2021-03-19
公開日2021-10-13
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Fragment-Based Discovery of Small Molecules Bound to T-Cell Immunoglobulin and Mucin Domain-Containing Molecule 3 (TIM-3).
J.Med.Chem., 64, 2021
7M41
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BU of 7m41 by Molmil
Structure of TIM-3 in complex with N-(4-(8-chloro-2-methyl-5-oxo-5,6-dihydro-[1,2,4]traizolo[1,5-c]quinazolin-9-yl)-3-methylphenyl)-1H-imidazole-2-sulfonamide (compound 38)
分子名称: CALCIUM ION, Hepatitis A virus cellular receptor 2, N-{4-[(4S,10aP)-8-chloro-2-methyl-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]quinazolin-9-yl]-3-methylphenyl}-1H-imidazole-2-sulfonamide
著者Rietz, T.A.
登録日2021-03-19
公開日2021-10-13
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Fragment-Based Discovery of Small Molecules Bound to T-Cell Immunoglobulin and Mucin Domain-Containing Molecule 3 (TIM-3).
J.Med.Chem., 64, 2021
8OR1
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BU of 8or1 by Molmil
Co-crystal strucutre of PD-L1 with low molecular weight inhibitor
分子名称: 5-[[5-[[2-chloranyl-3-(2-fluorophenyl)phenyl]methoxy]-2-[(~{E})-2-hydroxyethyliminomethyl]phenoxy]methyl]pyridine-3-carbonitrile, Programmed cell death 1 ligand 1
著者Zhang, H, Zhou, S, Wu, C, Zhu, M, Yu, Q, Wang, X, Awadasseid, A, Plewka, J, Magiera-Mularz, K, Wu, Y, Zhang, W.
登録日2023-04-12
公開日2023-08-02
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Design, Synthesis, and Antitumor Activity Evaluation of 2-Arylmethoxy-4-(2,2'-dihalogen-substituted biphenyl-3-ylmethoxy) Benzylamine Derivatives as Potent PD-1/PD-L1 Inhibitors.
J.Med.Chem., 66, 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
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2024-10-09
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
7M3Z
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BU of 7m3z by Molmil
Structure of TIM-3 in complex with N-(4-(8-chloro-2-mehtyl-5-oxo-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazolin-9-yl)-3-methylphenyl)methanesulfonamdide (compound 35)
分子名称: CALCIUM ION, Hepatitis A virus cellular receptor 2, N-{4-[(4S,10aP)-8-chloro-2-methyl-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]quinazolin-9-yl]-3-methylphenyl}methanesulfonamide
著者Rietz, T.A.
登録日2021-03-19
公開日2021-10-13
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Fragment-Based Discovery of Small Molecules Bound to T-Cell Immunoglobulin and Mucin Domain-Containing Molecule 3 (TIM-3).
J.Med.Chem., 64, 2021
8IIA
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BU of 8iia by Molmil
Crystal structure of the oligomeric state of the extracellular domain of human myelin protein zero(MPZ/P0)
分子名称: GLYCEROL, Myelin protein P0
著者Sakakura, M, Tanabe, M, Mio, K.
登録日2023-02-24
公開日2023-08-30
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structural bases for the Charcot-Marie-Tooth disease induced by single amino acid substitutions of myelin protein zero.
Structure, 31, 2023
7KPG
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BU of 7kpg by Molmil
Blocking Fab 25 anti-SIRP-alpha antibody in complex with SIRP-alpha Variant 1
分子名称: Heavy chain of Fab 25 anti-SIRP-alpha antibody, Light chain of Fab 25 anti-SIRP-alpha antibody, SULFATE ION, ...
著者Sim, J, Pons, J.
登録日2020-11-11
公開日2020-12-16
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Targeting the myeloid checkpoint receptor SIRP alpha potentiates innate and adaptive immune responses to promote anti-tumor activity.
J Hematol Oncol, 13, 2020
8JEL
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BU of 8jel by Molmil
Crystal structure of TIGIT in complexed with Ociperlimab, crystal form I
分子名称: T-cell immunoreceptor with Ig and ITIM domains, antibody heavy chain, antibody light chain
著者Sun, J, Zhang, X.X, Song, J.
登録日2023-05-16
公開日2024-02-28
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural insights into the unique pH-responsive characteristics of the anti-TIGIT therapeutic antibody Ociperlimab.
Structure, 32, 2024
8JEO
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BU of 8jeo by Molmil
Crystal structure of TIGIT in complexed with Tiragolumab
分子名称: T-cell immunoreceptor with Ig and ITIM domains, antibody heavy chain, antibody light chain
著者Sun, J, Zhang, X.X, Song, J.
登録日2023-05-16
公開日2024-02-28
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Structural insights into the unique pH-responsive characteristics of the anti-TIGIT therapeutic antibody Ociperlimab.
Structure, 32, 2024
8JEN
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BU of 8jen by Molmil
Crystal structure of TIGIT in complexed with Ociperlimab, crystal form II
分子名称: T-cell immunoreceptor with Ig and ITIM domains, antibody heavy chain, antibody light chain
著者Sun, J, Zhang, X.X, Song, J.
登録日2023-05-16
公開日2024-02-28
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Structural insights into the unique pH-responsive characteristics of the anti-TIGIT therapeutic antibody Ociperlimab.
Structure, 32, 2024
7KQL
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BU of 7kql by Molmil
Anti-Tim3 antibody Fab complex
分子名称: GLYCEROL, Hepatitis A virus cellular receptor 2, Tim3.18 Fab heavy chain, ...
著者Deng, X.A, West, S.M, Strop, P.
登録日2020-11-16
公開日2022-02-09
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Tim-3 mediates T cell trogocytosis to limit antitumor immunity.
J.Clin.Invest., 132, 2022
7MU8
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BU of 7mu8 by Molmil
Structure of the minimally glycosylated human CEACAM1 N-terminal domain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Carcinoembryonic antigen-related cell adhesion molecule 1, GLYCEROL, ...
著者Belcher Dufrisne, M, Swope, N, Kieber, M, Yang, J.Y, Han, J, Li, J, Moremen, K.W, Prestegard, J.H, Columbus, L.
登録日2021-05-14
公開日2022-02-09
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Human CEACAM1 N-domain dimerization is independent from glycan modifications.
Structure, 30, 2022
2UV3
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BU of 2uv3 by Molmil
Structure of the signal-regulatory protein (SIRP) alpha domain that binds CD47.
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, SULFATE ION, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE SUBSTRATE 1
著者Hatherley, D, Harlos, K, Dunlop, D.C, Stuart, D.I, Barclay, A.N.
登録日2007-03-08
公開日2007-03-27
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Structure of the Macrophage Signal Regulatory Protein Alpha (Sirpalpha) Inhibitory Receptor Reveals a Binding Face Reminiscent of that Used by T Cell Receptors.
J.Biol.Chem., 282, 2007
2W0K
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BU of 2w0k by Molmil
Crystal structure of the recombinant variable domain 6JAL2
分子名称: V1-22 PROTEIN
著者Rudino-Pinera, E, Gonzalezrubio-Garrido, P, Horjales, E.
登録日2008-08-19
公開日2009-11-17
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献A Single Mutation at the Sheet Switch Region Results in Conformational Changes Favoring Lambda6 Light-Chain Fibrillogenesis.
J.Mol.Biol., 396, 2010
6XNT
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BU of 6xnt by Molmil
Crystal structure of I91A mutant of human CEACAM1
分子名称: Carcinoembryonic antigen-related cell adhesion molecule 1, octyl beta-D-glucopyranoside
著者Gandhi, A.K, Kim, W.M, Sun, Z.-Y, Huang, Y.H, Bonsor, D, Petsko, G.A, Kuchroo, V, Blumberg, R.S.
登録日2020-07-04
公開日2021-03-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural basis of the dynamic human CEACAM1 monomer-dimer equilibrium.
Commun Biol, 4, 2021
6XNW
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BU of 6xnw by Molmil
Crystal structure of V39A mutant of human CEACAM1
分子名称: Carcinoembryonic antigen-related cell adhesion molecule 1, NICKEL (II) ION
著者Gandhi, A.K, Kim, W.M, Sun, Z.-Y, Huang, Y.H, Bonsor, D, Petsko, G.A, Kuchroo, V, Blumberg, R.S.
登録日2020-07-04
公開日2021-03-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis of the dynamic human CEACAM1 monomer-dimer equilibrium.
Commun Biol, 4, 2021
6XNO
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Crystal structure of E99A mutant of human CEACAM1
分子名称: Carcinoembryonic antigen-related cell adhesion molecule 1, MALONIC ACID, octyl beta-D-glucopyranoside
著者Gandhi, A.K, Kim, W.M, Sun, Z.-Y, Huang, Y.H, Bonsor, D, Petsko, G.A, Kuchroo, V, Blumberg, R.S.
登録日2020-07-03
公開日2021-03-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis of the dynamic human CEACAM1 monomer-dimer equilibrium.
Commun Biol, 4, 2021
6XO1
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BU of 6xo1 by Molmil
Crystal structure of N97A mutant of human CEACAM1
分子名称: Carcinoembryonic antigen-related cell adhesion molecule 1, MALONIC ACID
著者Gandhi, A.K, Kim, W.M, Sun, Z.-Y, Huang, Y.H, Bonsor, D, Petsko, G.A, Kuchroo, V, Blumberg, R.S.
登録日2020-07-05
公開日2021-03-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.758 Å)
主引用文献Structural basis of the dynamic human CEACAM1 monomer-dimer equilibrium.
Commun Biol, 4, 2021
6YCR
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BU of 6ycr by Molmil
Structure of human PD-L1 in complex with inhibitor
分子名称: FFIVIRDRVFR(CCS)G(NH2), Programmed cell death 1 ligand 1
著者Magiera-Mularz, K, Grudnik, P, Kuska, K, Holak, T.A, Dubin, G.
登録日2020-03-18
公開日2021-02-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Macrocyclic Peptide Inhibitor of PD-1/PD-L1 Immune Checkpoint
Adv. Ther., 2020
6XKR
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Structure of Sasanlimab Fab in complex with PD-1
分子名称: GLYCEROL, Programmed cell death protein 1, Sasanlimab Fab Heavy chain, ...
著者Kimberlin, C.R, Chin, S.M.
登録日2020-06-27
公開日2020-09-09
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Pharmacologic Properties and Preclinical Activity of Sasanlimab, A High-affinity Engineered Anti-Human PD-1 Antibody.
Mol.Cancer Ther., 19, 2020
2W9L
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BU of 2w9l by Molmil
CANINE ADENOVIRUS TYPE 2 FIBRE HEAD IN COMPLEX WITH CAR DOMAIN D1 AND SIALIC ACID
分子名称: COXSACKIEVIRUS AND ADENOVIRUS RECEPTOR, FIBRE PROTEIN, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, ...
著者Seiradake, E, Henaff, D, Wodrich, H, Billet, O, Perreau, M, Hippert, C, Mennechet, F, Schoehn, G, Lortat-Jacob, H, Dreja, H, Ibanes, S, Kalatzis, V, Wang, J.P, Finberg, R.W, Cusack, S, Kremer, E.J.
登録日2009-01-26
公開日2009-03-17
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献The cell adhesion molecule "CAR" and sialic acid on human erythrocytes influence adenovirus in vivo biodistribution.
PLoS Pathog., 5, 2009
6XY2
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Crystal structure of CTLA-4 complexed with the Fab of HL32 antibody
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cytotoxic T-lymphocyte protein 4, Heavy chain, ...
著者Gao, H, Zhou, A.
登録日2020-01-29
公開日2020-12-09
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Structure of CTLA-4 complexed with a pH-sensitive cancer immunotherapeutic antibody.
Cell Discov, 6, 2020
2YWY
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Structure of new antigen receptor variable domain from sharks
分子名称: new antigen receptor variable domain
著者Streltsov, V.A.
登録日2007-04-23
公開日2007-10-30
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Shark IgNAR antibody mimotopes target a murine immunoglobulin through extended CDR3 loop structures
Proteins, 71, 2007

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