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6DHB
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BU of 6dhb by Molmil
Crystal structure of the human TIM-3 with bound Calcium
Descriptor: 1,2-ETHANEDIOL, BENZOIC ACID, CALCIUM ION, ...
Authors:Gandhi, A.K, Kim, W.M, Huang, Y.H, Bonsor, D, Sundberg, E, Sun, Z.-Y, Petsko, G.A, Kuchroo, V, Blumberg, R.S.
Deposit date:2018-05-19
Release date:2018-12-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:High resolution X-ray and NMR structural study of human T-cell immunoglobulin and mucin domain containing protein-3.
Sci Rep, 8, 2018
4N8P
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BU of 4n8p by Molmil
Crystal structure of a strand swapped CTLA-4 from Duckbill Platypus [PSI-NYSGRC-012711]
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Uncharacterized protein
Authors:Kumar, P.R, Banu, R, Bhosle, R, Calarese, D.A, Celikgil, A, Chamala, S, Chan, M.K, Chowdhury, S, Fiser, A, Garforth, S.J, Glenn, A.S, Hillerich, B, Khafizov, K, Attonito, J, Love, J.D, Patel, H, Patel, R, Seidel, R.D, Smith, B, Stead, M, Toro, R, Casadevall, A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN)
Deposit date:2013-10-17
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.299 Å)
Cite:Crystal structure of a strand swapped CTLA-4 from Duckbill Platypus [PSI-NYSGRC-012711]
to be published
5XAW
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BU of 5xaw by Molmil
Parallel homodimer structures of voltage-gated sodium channel beta4 for cell-cell adhesion
Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, GLYCEROL, Sodium channel subunit beta-4, ...
Authors:Shimizu, H, Yokoyama, S.
Deposit date:2017-03-15
Release date:2017-07-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Parallel homodimer structures of the extracellular domains of the voltage-gated sodium channel beta 4 subunit explain its role in cell-cell adhesion
J. Biol. Chem., 292, 2017
4MZ3
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BU of 4mz3 by Molmil
Crystal structure of the voltage-gated sodium channel beta 4 subunit extracellular domain, C131W mutant
Descriptor: Sodium channel subunit beta-4
Authors:Das, S, Van Petegem, F.
Deposit date:2013-09-28
Release date:2013-12-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.741 Å)
Cite:Crystallographic insights into sodium-channel modulation by the beta 4 subunit.
Proc.Natl.Acad.Sci.USA, 110, 2013
5XO2
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BU of 5xo2 by Molmil
Crystal structure of human paired immunoglobulin-like type 2 receptor alpha with synthesized glycopeptide II
Descriptor: N-acetyl-alpha-neuraminic acid-(2-6)-2-acetamido-2,4-dideoxy-alpha-D-xylo-hexopyranose, Paired immunoglobulin-like type 2 receptor alpha, Peptide from Envelope glycoprotein B
Authors:Furukawa, A, Kakita, K, Yamada, T, Ishizuka, M, Sakamoto, J, Hatori, N, Maeda, N, Ohsaka, F, Saitoh, T, Nomura, T, Kuroki, K, Nambu, H, Arase, H, Matsunaga, S, Anada, M, Ose, T, Hashimoto, S, Maenaka, K.
Deposit date:2017-05-25
Release date:2017-10-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:Structural and thermodynamic analyses reveal critical features of glycopeptide recognition by the human PILR alpha immune cell receptor.
J. Biol. Chem., 292, 2017
5XP1
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BU of 5xp1 by Molmil
Structure of monomeric mutant of REI immunoglobulin light chain variable domain crystallized at pH 6
Descriptor: Immunoglobulin kappa variable 1D-33
Authors:Mine, S, Nakamura, T, Uegaki, K, Hamada, D.
Deposit date:2017-05-31
Release date:2017-08-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Heat-induced native dimerization prevents amyloid formation by variable domain from immunoglobulin light-chain REI
FEBS J., 284, 2017
4MZ2
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BU of 4mz2 by Molmil
Crystal structure of the voltage-gated sodium channel beta 4 subunit extracellular domain
Descriptor: Sodium channel subunit beta-4
Authors:Das, S, Van Petegem, F.
Deposit date:2013-09-28
Release date:2013-12-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.722 Å)
Cite:Crystallographic insights into sodium-channel modulation by the beta 4 subunit.
Proc.Natl.Acad.Sci.USA, 110, 2013
5XPV
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BU of 5xpv by Molmil
Structure of the V domain of amphioxus IgVJ-C2
Descriptor: amphioxus IgVJ-C2
Authors:Chen, R, Qi, J, Zhang, N, Zhang, L, Yao, S, Wu, Y, Jiang, B, Wang, Z, Yuan, H, Zhang, Q, Xia, C.
Deposit date:2017-06-05
Release date:2018-04-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery and Analysis of Invertebrate IgVJ-C2 Structure from Amphioxus Provides Insight into the Evolution of the Ig Superfamily.
J. Immunol., 200, 2018
5YD4
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BU of 5yd4 by Molmil
Crystal structure of the scFv antibody 4B08 with epitope peptide (mutation T6A)
Descriptor: Epitope peptide (mutation T6A), SULFATE ION, scFv 4B08
Authors:Caaveiro, J.M.M, Miyanabe, K, Tsumoto, K.
Deposit date:2017-09-11
Release date:2018-06-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Intramolecular H-bonds govern the recognition of a flexible peptide by an antibody
J. Biochem., 164, 2018
4NOF
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BU of 4nof by Molmil
Crystal structure of the second Ig domain from mouse Polymeric Immunoglobulin receptor [PSI-NYSGRC-006220]
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Polymeric immunoglobulin receptor
Authors:Sampathkumar, P, Kumar, P.R, Ahmed, M, Banu, R, Bhosle, R, Calarese, D.A, Celikgil, A, Chamala, S, Chan, M.K, Chowdhury, S, Fiser, A, Garforth, S.J, Glenn, A.S, Hillerich, B, Khafizov, K, Attonito, J, Love, J.D, Patel, H, Patel, R, Seidel, R.D, Smith, B, Stead, M, Casadevall, A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN)
Deposit date:2013-11-19
Release date:2013-12-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of the second Ig domain from mouse Polymeric Immunoglobulin receptor
to be published
5XXY
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BU of 5xxy by Molmil
Crystal structure of PD-L1 complexed with atezolizumab fab at 2.9A
Descriptor: Programmed cell death 1 ligand 1, heavy chain of atezolizumab fab, light chain of atezolizumab fab
Authors:Zhou, A, Zhang, F.
Deposit date:2017-07-05
Release date:2017-09-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis of the therapeutic anti-PD-L1 antibody atezolizumab.
Oncotarget, 8, 2017
4NFB
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BU of 4nfb by Molmil
Structure of paired immunoglobulin-like type 2 receptor (PILR )
Descriptor: Paired immunoglobulin-like type 2 receptor alpha
Authors:Lu, Q, Lu, G, Qi, J, Li, Y, Zhang, Y, Wang, H, Fan, Z, Yan, J, Gao, G.
Deposit date:2013-10-31
Release date:2014-05-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:PILR alpha and PILR beta have a siglec fold and provide the basis of binding to sialic acid
Proc.Natl.Acad.Sci.USA, 111, 2014
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
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
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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BU of 8jeo by Molmil
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
5YD5
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BU of 5yd5 by Molmil
Crystal structure of the scFv antibody 4B08 with epitope peptide (mutation N3A)
Descriptor: Peptide epitope (mutation N3A), SULFATE ION, scFv 4B08
Authors:Caaveiro, J.M.M, Miyanabe, K, Tsumoto, K.
Deposit date:2017-09-11
Release date:2018-06-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Intramolecular H-bonds govern the recognition of a flexible peptide by an antibody
J. Biochem., 164, 2018
8JEN
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BU of 8jen by Molmil
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
5YD3
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BU of 5yd3 by Molmil
Crystal structure of the scFv antibody 4B08 with epitope peptide
Descriptor: Epitope peptide, GLYCEROL, SULFATE ION, ...
Authors:Caaveiro, J.M.M, Miyanabe, K, Tsumoto, K.
Deposit date:2017-09-11
Release date:2018-06-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Intramolecular H-bonds govern the recognition of a flexible peptide by an antibody
J. Biochem., 164, 2018
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:2024-01-10
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
5Z11
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BU of 5z11 by Molmil
Crystal Structure of Grass Carp CD8 alpha alpha Homodimers
Descriptor: CD8 alpha chain
Authors:Wang, J.
Deposit date:2017-12-22
Release date:2018-04-11
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal Structure of the Grass Carp CD8 alpha alpha Homodimers Indicates a Dramatic Evolution of CD8 from Ectotherms to Endotherms.
To Be Published
5YXK
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BU of 5yxk by Molmil
High resolution crystal structure of Human B7-2 IgV domain in P21 space group
Descriptor: T-lymphocyte activation antigen CD86
Authors:Lankipalli, S, Ramagopal, U.A.
Deposit date:2017-12-05
Release date:2018-12-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Comparitive structural analysis of human B7-2: New insights on its possible dimeric state
To be published
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)
Descriptor: GLYCEROL, Myelin protein P0
Authors:Sakakura, M, Tanabe, M, Mio, K.
Deposit date:2023-02-24
Release date:2023-08-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structural bases for the Charcot-Marie-Tooth disease induced by single amino acid substitutions of myelin protein zero.
Structure, 31, 2023
8OR1
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BU of 8or1 by Molmil
Co-crystal strucutre of PD-L1 with low molecular weight inhibitor
Descriptor: 5-[[5-[[2-chloranyl-3-(2-fluorophenyl)phenyl]methoxy]-2-[(~{E})-2-hydroxyethyliminomethyl]phenoxy]methyl]pyridine-3-carbonitrile, Programmed cell death 1 ligand 1
Authors:Zhang, H, Zhou, S, Wu, C, Zhu, M, Yu, Q, Wang, X, Awadasseid, A, Plewka, J, Magiera-Mularz, K, Wu, Y, Zhang, W.
Deposit date:2023-04-12
Release date:2023-08-02
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.5 Å)
Cite: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
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
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
3LVE
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BU of 3lve by Molmil
LEN Q38E MUTANT: A DOMAIN FLIP FROM A SINGLE AMINO ACID SUBSTITUTION
Descriptor: LEN, ZINC ION
Authors:Schiffer, M, Pokkuluri, P.R.
Deposit date:1998-05-12
Release date:1999-05-18
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:A domain flip as a result of a single amino-acid substitution.
Structure, 6, 1998

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數據於2024-06-12公開中

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