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6P4B
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BU of 6p4b by Molmil
HyHEL10 fab variant HyHEL10-4x (heavy chain mutations L4F, Y33H, S56N, and Y58F) bound to hen egg lysozyme variant HEL2x-flex (mutations R21Q, R73E, C76S, and C94S)
Descriptor: CHLORIDE ION, HyHEL10 Fab heavy chain, HyHEL10 Fab light chain, ...
Authors:Langley, D.B, Christ, D.
Deposit date:2019-05-27
Release date:2020-05-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Conformational diversity facilitates antibody mutation trajectories and discrimination between foreign and self-antigens.
Proc.Natl.Acad.Sci.USA, 117, 2020
6P4C
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BU of 6p4c by Molmil
HyHEL10 Fab carrying four heavy chain mutations (HyHEL10-4x): L4F, Y33H, S56N, and Y58F
Descriptor: CHLORIDE ION, HyHEL10 Fab heavy chain, HyHEL10 Fab light chain
Authors:Langley, D.B, Christ, D.
Deposit date:2019-05-27
Release date:2020-05-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Conformational diversity facilitates antibody mutation trajectories and discrimination between foreign and self-antigens.
Proc.Natl.Acad.Sci.USA, 117, 2020
6P4A
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BU of 6p4a by Molmil
HyHEL10 Fab complexed with hen egg lysozyme carrying two mutations (HEL2x-rigid): R21Q and R73E
Descriptor: HyHEL10 Fab heavy chain, HyHEL10 Fab light chain, Lysozyme C
Authors:Langley, D.B, Christ, D.
Deposit date:2019-05-27
Release date:2020-05-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Conformational diversity facilitates antibody mutation trajectories and discrimination between foreign and self-antigens.
Proc.Natl.Acad.Sci.USA, 117, 2020
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
6RPJ
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BU of 6rpj by Molmil
A Non-blocking anti-CTLA-4 Nanobody complexed with CTLA-4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, A non-blocking CTLA-4 nanobody, Cytotoxic T-lymphocyte protein 4, ...
Authors:Gao, H, Zhou, A, Zhang, F.
Deposit date:2019-05-14
Release date:2020-07-08
Last modified:2020-11-11
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:A Non-blocking anti-CTLA-4 Nanobody complexed with CTLA-4
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
6K0Y
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BU of 6k0y by Molmil
Study of the interactions of a novel monoclonal antibody, mAb059c, with the hPD-1 receptor
Descriptor: 1,2-ETHANEDIOL, Antibody Heavy Chain, Antibody Light Chain, ...
Authors:Liu, J.X, Wang, G.Q.
Deposit date:2019-05-08
Release date:2019-12-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Study of the interactions of a novel monoclonal antibody, mAb059c, with the hPD-1 receptor.
Sci Rep, 9, 2019
6ORT
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BU of 6ort by Molmil
Crystal Structure of Bos taurus Mxra8 Ectodomain
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Matrix remodeling-associated protein 8
Authors:Fremont, D.H, Kim, A.S, Nelson, C.A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-04-30
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:An Evolutionary Insertion in the Mxra8 Receptor-Binding Site Confers Resistance to Alphavirus Infection and Pathogenesis.
Cell Host Microbe, 27, 2020
6JXR
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BU of 6jxr by Molmil
Structure of human T cell receptor-CD3 complex
Descriptor: T cell receptor alpha variable 12-3,Possible J 11 gene segment,T cell receptor alpha constant, T cell receptor beta variable 6-5,M1-specific T cell receptor beta chain,T cell receptor beta constant 2, T-cell surface glycoprotein CD3 delta chain, ...
Authors:Dong, D, Zheng, L, Lin, J, Zhu, Y, Li, N, Zhang, B, Xie, S, Zheng, J, Wang, Y, Gao, N, Huang, Z.
Deposit date:2019-04-24
Release date:2019-09-11
Last modified:2020-09-16
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural basis of assembly of the human T cell receptor-CD3 complex.
Nature, 573, 2019
6OOR
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BU of 6oor by Molmil
Structure of 1B1 bound to mouse CD1d
Descriptor: Antibody 1B1 Heavy chain, Antibody 1B1 Light chain, Antigen-presenting glycoprotein CD1d1, ...
Authors:Ying, G, Zajonc, D.M.
Deposit date:2019-04-23
Release date:2019-07-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural basis of NKT cell inhibition using the T-cell receptor-blocking anti-CD1d antibody 1B1.
J.Biol.Chem., 294, 2019
6ON9
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BU of 6on9 by Molmil
Crystal Structure of the ZIG-8-RIG-5 IG1-IG1 heterodimer, tetragonal form
Descriptor: NeuRonal IgCAM-5, SODIUM ION, SULFATE ION, ...
Authors:Cheng, S, Kurleto, J.D, Ozkan, E.
Deposit date:2019-04-20
Release date:2019-05-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.995 Å)
Cite:Family of neural wiring receptors in bilaterians defined by phylogenetic, biochemical, and structural evidence.
Proc.Natl.Acad.Sci.USA, 116, 2019
6ONB
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BU of 6onb by Molmil
Crystal Structure of the ZIG-8-RIG-5 IG1-IG1 heterodimer, monoclinic form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, NeuRonal IgCAM-5, ...
Authors:Cheng, S, Kurleto, J.D, Ozkan, E.
Deposit date:2019-04-20
Release date:2019-05-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.696 Å)
Cite:Family of neural wiring receptors in bilaterians defined by phylogenetic, biochemical, and structural evidence.
Proc.Natl.Acad.Sci.USA, 116, 2019
6OKP
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BU of 6okp by Molmil
B41 SOSIP.664 in complex with the silent-face antibody SF12 and V3-targeting antibody 10-1074
Descriptor: 10-1074 Heavy Chain,10-1074 Heavy Chain, 10-1074 Light Chain,10-1074 Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Barnes, C.O, Bjorkman, P.J.
Deposit date:2019-04-14
Release date:2019-06-05
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.28 Å)
Cite:Broad and Potent Neutralizing Antibodies Recognize the Silent Face of the HIV Envelope.
Immunity, 50, 2019
6OKQ
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BU of 6okq by Molmil
Crystal structure of the SF12 Fab
Descriptor: SF12 Fab Heavy Chain,SF12 Fab Heavy Chain, SF12 Fab Light Chain,SF12 Fab Light Chain
Authors:Barnes, C.O, Bjorkman, P.J.
Deposit date:2019-04-14
Release date:2019-06-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Broad and Potent Neutralizing Antibodies Recognize the Silent Face of the HIV Envelope.
Immunity, 50, 2019
6OIL
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BU of 6oil by Molmil
Crystal structure of human VISTA extracellular domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, V-type immunoglobulin domain-containing suppressor of T-cell activation
Authors:Mehta, N, Cochran, J.R, Mathews, I.I.
Deposit date:2019-04-09
Release date:2019-09-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure and Functional Binding Epitope of V-domain Ig Suppressor of T Cell Activation.
Cell Rep, 28, 2019
6RAF
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BU of 6raf by Molmil
Heterodimeric ABC exporter TmrAB in inward-facing narrow conformation under turnover conditions
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Anti-vesicular stomatitis virus N VHH, ...
Authors:Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R.
Deposit date:2019-04-06
Release date:2019-07-31
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Conformation space of a heterodimeric ABC exporter under turnover conditions.
Nature, 571, 2019
6OGE
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BU of 6oge by Molmil
Cryo-EM structure of Her2 extracellular domain-Trastuzumab Fab-Pertuzumab Fab complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Pertuzumab FAB HEAVY CHAIN, Pertuzumab FAB LIGHT CHAIN, ...
Authors:Hao, Y, Yu, X, Bai, Y, Huang, X.
Deposit date:2019-04-02
Release date:2019-05-15
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.36 Å)
Cite:Cryo-EM Structure of HER2-trastuzumab-pertuzumab complex.
Plos One, 14, 2019
6R3K
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BU of 6r3k by Molmil
Structure of human Programmed cell death 1 ligand 1 (PD-L1) with low molecular mass inhibitor
Descriptor: (2~{S},4~{R})-1-[[5-chloranyl-2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid, 1,2-ETHANEDIOL, Programmed cell death 1 ligand 1
Authors:Zak, K.M, Grudnik, P, Skalniak, L, Dubin, G, Holak, T.A.
Deposit date:2019-03-20
Release date:2019-04-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Terphenyl-Based Small-Molecule Inhibitors of Programmed Cell Death-1/Programmed Death-Ligand 1 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
6JO7
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BU of 6jo7 by Molmil
Crystal structure of mouse MXRA8
Descriptor: Matrix remodeling-associated protein 8
Authors:Song, H, Zhao, Z, Qi, J, Gao, F, Gao, G.F.
Deposit date:2019-03-20
Release date:2019-05-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular Basis of Arthritogenic Alphavirus Receptor MXRA8 Binding to Chikungunya Virus Envelope Protein.
Cell, 177, 2019
6JO8
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BU of 6jo8 by Molmil
The complex structure of CHIKV envelope glycoprotein bound to human MXRA8
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHIKV E1, ...
Authors:Song, H, Zhao, Z, Qi, J, Gao, F, Gao, F.G.
Deposit date:2019-03-20
Release date:2019-05-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.495 Å)
Cite:Molecular Basis of Arthritogenic Alphavirus Receptor MXRA8 Binding to Chikungunya Virus Envelope Protein.
Cell, 177, 2019
6R2L
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BU of 6r2l by Molmil
NYBR1-A2-SLSKILDTV
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-2-microglobulin, ...
Authors:Rizkallah, P.J, Cole, D.K, Sami, M.
Deposit date:2019-03-18
Release date:2020-02-26
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:NYBR1-A2-SLSKILDTV
To Be Published
6O3O
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BU of 6o3o by Molmil
Structure of human DNAM-1 (CD226) bound to nectin-like protein-5 (necl-5)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CD226 antigen, ...
Authors:Deuss, F.A, Watson, G.M, Rossjohn, J, Berry, R.
Deposit date:2019-02-27
Release date:2019-07-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for the recognition of nectin-like protein-5 by the human-activating immune receptor, DNAM-1.
J.Biol.Chem., 294, 2019
6JJP
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BU of 6jjp by Molmil
Crystal structure of Fab of a PD-1 monoclonal antibody MW11-h317 in complex with PD-1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of MW11-h317, Programmed cell death protein 1, ...
Authors:Wang, M, Wang, J, Wang, R, Jiao, S, Wang, S, Zhang, J, Zhang, M.
Deposit date:2019-02-26
Release date:2019-10-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Identification of a monoclonal antibody that targets PD-1 in a manner requiring PD-1 Asn58 glycosylation.
Commun Biol, 2, 2019
6NZ7
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BU of 6nz7 by Molmil
Crystal structure of broadly neutralizing Influenza A antibody 429 B01 in complex with Hemagglutinin Hong Kong 1968
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 429 B01 FAB heavy chain, 429 B01 FAB light chain, ...
Authors:Zhou, T, Kwong, P.D.
Deposit date:2019-02-13
Release date:2019-05-08
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Prolonged evolution of the memory B cell response induced by a replicating adenovirus-influenza H5 vaccine.
Sci Immunol, 4, 2019

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