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5J89
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Structure of human Programmed cell death 1 ligand 1 (PD-L1) with low molecular mass inhibitor
Descriptor: 1,2-ETHANEDIOL, N-{2-[({2-methoxy-6-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]pyridin-3-yl}methyl)amino]ethyl}acetamide, Programmed cell death 1 ligand 1
Authors:Zak, K.M, Grudnik, P, Guzik, K, Zieba, B.J, Musielak, B, Doemling, P, Dubin, G, Holak, T.A.
Deposit date:2016-04-07
Release date:2016-04-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for small molecule targeting of the programmed death ligand 1 (PD-L1).
Oncotarget, 7, 2016
4GRG
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Crystal structure of IgE complexed with E2_79, an anti-IgE inhibitor
Descriptor: ANTI-IGE INHIBITOR E2_79, Ig epsilon chain C region
Authors:Kim, B, Jardetzky, T.S.
Deposit date:2012-08-24
Release date:2012-12-12
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (4.24 Å)
Cite:Accelerated disassembly of IgE-receptor complexes by a disruptive macromolecular inhibitor.
Nature, 491, 2012
8T5C
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BU of 8t5c by Molmil
Lassa GPC Trimer in complex with Fab 8.11G and nanobody D5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 8.11G Heavy Chain, 8.11G Light Chain, ...
Authors:Gorman, J, Kwong, P.D.
Deposit date:2023-06-13
Release date:2024-01-03
Last modified:2024-01-24
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Cleavage-intermediate Lassa virus trimer elicits neutralizing responses, identifies neutralizing nanobodies, and reveals an apex-situated site-of-vulnerability.
Nat Commun, 15, 2024
5J8O
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BU of 5j8o by Molmil
Structure of human Programmed cell death 1 ligand 1 (PD-L1) with low molecular mass inhibitor
Descriptor: (2R)-1-({3-bromo-4-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]phenyl}methyl)piperidine-2-carboxylic acid, Programmed cell death 1 ligand 1
Authors:Zak, K.M, Grudnik, P, Guzik, K, Zieba, B.J, Musielak, B, Doemling, P, Dubin, G, Holak, T.A.
Deposit date:2016-04-08
Release date:2016-04-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for small molecule targeting of the programmed death ligand 1 (PD-L1).
Oncotarget, 7, 2016
4HRL
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BU of 4hrl by Molmil
Structural Basis for Eliciting a Cytotoxic Effect in HER2-Overexpressing Cancer Cells via Binding to the Extracellular Domain of HER2
Descriptor: Designed Ankyrin Repeat Protein 9_29, Receptor tyrosine-protein kinase erbB-2
Authors:Jost, C, Schilling, J, Plueckthun, A.
Deposit date:2012-10-28
Release date:2013-10-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural Basis for Eliciting a Cytotoxic Effect in HER2-Overexpressing Cancer Cells via Binding to the Extracellular Domain of HER2.
Structure, 21, 2013
4HPG
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BU of 4hpg by Molmil
Crystal structure of a glycosylated beta-1,3-glucanase (HEV B 2), an allergen from Hevea brasiliensis
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-1,3-glucanase, DI(HYDROXYETHYL)ETHER, ...
Authors:Rodriguez-Romero, A, Hernandez-Santoyo, A.
Deposit date:2012-10-23
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5364 Å)
Cite:Structural analysis of the endogenous glycoallergen Hev b 2 (endo-beta-1,3-glucanase) from Hevea brasiliensis and its recognition by human basophils.
Acta Crystallogr.,Sect.D, 70, 2014
4G5P
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BU of 4g5p by Molmil
Crystal structure of EGFR kinase T790M in complex with BIBW2992
Descriptor: Epidermal growth factor receptor, N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)butanamide
Authors:Solca, F, Dahl, G, Zoephel, A, Bader, G, Sanderson, M, Klein, C, Kraemer, O, Himmelsbach, F, Haaksma, E, Adolf, G.R.
Deposit date:2012-07-18
Release date:2012-08-29
Last modified:2012-10-31
Method:X-RAY DIFFRACTION (3.17 Å)
Cite:Target Binding Properties and Cellular Activity of Afatinib (BIBW 2992), an Irreversible ErbB Family Blocker.
J.Pharmacol.Exp.Ther., 343, 2012
4G5J
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Crystal structure of EGFR kinase in complex with BIBW2992
Descriptor: (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide, Epidermal growth factor receptor, N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)butanamide
Authors:Solca, F, Dahl, G, Zoephel, A, Bader, G, Sanderson, M, Klein, C, Kraemer, O, Himmelsbach, F, Haaksma, E, Adolf, G.R.
Deposit date:2012-07-18
Release date:2012-08-29
Last modified:2012-10-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Target Binding Properties and Cellular Activity of Afatinib (BIBW 2992), an Irreversible ErbB Family Blocker.
J.Pharmacol.Exp.Ther., 343, 2012
4HRN
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BU of 4hrn by Molmil
Structural Basis for Eliciting a Cytotoxic Effect in HER2-Overexpressing Cancer Cells via Binding to the Extracellular Domain of HER2
Descriptor: Designed Ankyrin Repeat Protein H10-2-G, Receptor tyrosine-protein kinase erbB-2
Authors:Jost, C, Schilling, J, Plueckthun, A.
Deposit date:2012-10-28
Release date:2013-10-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural Basis for Eliciting a Cytotoxic Effect in HER2-Overexpressing Cancer Cells via Binding to the Extracellular Domain of HER2.
Structure, 21, 2013
4HRM
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BU of 4hrm by Molmil
Structural Basis for Eliciting a Cytotoxic Effect in HER2-Overexpressing Cancer Cells via Binding to the Extracellular Domain of HER2
Descriptor: Designed Ankyrin Repeat Protein 9_26, Domain I of receptor tyrosine-protein kinase erbB-2
Authors:Jost, C, Schilling, J, Plueckthun, A.
Deposit date:2012-10-28
Release date:2013-10-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural Basis for Eliciting a Cytotoxic Effect in HER2-Overexpressing Cancer Cells via Binding to the Extracellular Domain of HER2.
Structure, 21, 2013
7MY2
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BU of 7my2 by Molmil
CryoEM structure of neutralizing nanobody Nb30 in complex with SARS-CoV2 spike
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody Nb30, ...
Authors:Xu, K, Kwong, P.D.
Deposit date:2021-05-20
Release date:2021-06-16
Last modified:2021-07-28
Method:ELECTRON MICROSCOPY (2.65 Å)
Cite:Nanobodies from camelid mice and llamas neutralize SARS-CoV-2 variants.
Nature, 595, 2021
7MY3
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BU of 7my3 by Molmil
CryoEM structure of neutralizing nanobody Nb12 in complex with SARS-CoV2 spike
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody Nb12, ...
Authors:Xu, K, Kwong, P.D.
Deposit date:2021-05-20
Release date:2021-06-16
Last modified:2021-07-28
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Nanobodies from camelid mice and llamas neutralize SARS-CoV-2 variants.
Nature, 595, 2021
7SEM
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BU of 7sem by Molmil
Structure-based design of prefusion-stabilized human metapneumovirus fusion proteins
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, MPE8 Fab heavy chain, ...
Authors:Rush, S.A, Hsieh, C.-L, McLellan, J.S.
Deposit date:2021-09-30
Release date:2022-02-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-based design of prefusion-stabilized human metapneumovirus fusion proteins.
Nat Commun, 13, 2022
7SEJ
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BU of 7sej by Molmil
Structure-based design of prefusion-stabilized human metapneumovirus fusion proteins
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F1 subunit, Fusion glycoprotein F2 subunit
Authors:Hsieh, C.-L, Rush, S.A, McLellan, J.S.
Deposit date:2021-09-30
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structure-based design of prefusion-stabilized human metapneumovirus fusion proteins.
Nat Commun, 13, 2022
1IGD
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BU of 1igd by Molmil
THE THIRD IGG-BINDING DOMAIN FROM STREPTOCOCCAL PROTEIN G: AN ANALYSIS BY X-RAY CRYSTALLOGRAPHY OF THE STRUCTURE ALONE AND IN A COMPLEX WITH FAB
Descriptor: PROTEIN G
Authors:Derrick, J.P, Wigley, D.B.
Deposit date:1994-08-05
Release date:1994-11-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:The third IgG-binding domain from streptococcal protein G. An analysis by X-ray crystallography of the structure alone and in a complex with Fab.
J.Mol.Biol., 243, 1994
4JM2
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BU of 4jm2 by Molmil
Crystal Structure of PGT 135 Fab in Complex with gp120 Core Protein from HIV-1 Strain JR-FL Bound to CD4 and 17b Fab
Descriptor: 17b Heavy chain, 17b Light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kong, L, Wilson, I.A.
Deposit date:2013-03-13
Release date:2013-05-29
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Supersite of immune vulnerability on the glycosylated face of HIV-1 envelope glycoprotein gp120.
Nat.Struct.Mol.Biol., 20, 2013
4JM4
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BU of 4jm4 by Molmil
Crystal Structure of PGT 135 Fab
Descriptor: PGT 135 Heavy Chain, PGT 135 Light Chain
Authors:Kong, L, Wilson, I.A.
Deposit date:2013-03-13
Release date:2013-05-29
Last modified:2013-07-17
Method:X-RAY DIFFRACTION (1.751 Å)
Cite:Supersite of immune vulnerability on the glycosylated face of HIV-1 envelope glycoprotein gp120.
Nat.Struct.Mol.Biol., 20, 2013
7O4W
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BU of 7o4w by Molmil
Crystal structure of diphtheria toxin mutant CRM197 with a disulphide bond replaced by a Cys-Acetone-Cys bridge
Descriptor: 1,2-ETHANEDIOL, 1-hydroxypropan-2-one, ACETATE ION, ...
Authors:Veggi, D, Dello Iacono, L.
Deposit date:2021-04-07
Release date:2022-04-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.03002071 Å)
Cite:Retaining the structural integrity of disulfide bonds in diphtheria toxoid carrier protein is crucial for the effectiveness of glycoconjugate vaccine candidates.
Chem Sci, 13, 2022
7OOX
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BU of 7oox by Molmil
Crystal structure of PIM1 in complex with ARC-3126
Descriptor: 1,2-ETHANEDIOL, Inhibitor ARC-3126, PHOSPHATE ION, ...
Authors:Chaikuad, A, Dixon-Clarke, S.E, Nonga, O.E, Uri, A, Bullock, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2021-05-28
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Crystal Structure-Guided Design of Bisubstrate Inhibitors and Photoluminescent Probes for Protein Kinases of the PIM Family.
Molecules, 26, 2021
7OOV
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BU of 7oov by Molmil
Crystal structure of PIM1 in complex with ARC-1411
Descriptor: 1,2-ETHANEDIOL, Inhibitor ARC-1411, SULFATE ION, ...
Authors:Chaikuad, A, Dixon-Clarke, S.E, Nonga, O.E, Uri, A, Bullock, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2021-05-28
Release date:2021-08-04
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Crystal Structure-Guided Design of Bisubstrate Inhibitors and Photoluminescent Probes for Protein Kinases of the PIM Family.
Molecules, 26, 2021
7OOW
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BU of 7oow by Molmil
Crystal structure of PIM1 in complex with ARC-1415
Descriptor: 1,2-ETHANEDIOL, INHIBITOR ARC-1415, MAGNESIUM ION, ...
Authors:Chaikuad, A, Dixon-Clarke, S.E, Nonga, O.E, Uri, A, Bullock, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2021-05-28
Release date:2021-08-04
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure-Guided Design of Bisubstrate Inhibitors and Photoluminescent Probes for Protein Kinases of the PIM Family.
Molecules, 26, 2021
2LTQ
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BU of 2ltq by Molmil
High resolution structure of DsbB C41S by joint calculation with solid-state NMR and X-ray data
Descriptor: Disulfide bond formation protein B, Fab fragment heavy chain, Fab fragment light chain, ...
Authors:Tang, M, Sperling, L.J, Schwieters, C.D, Nesbitt, A.E, Gennis, R.B, Rienstra, C.M.
Deposit date:2012-05-30
Release date:2013-02-27
Last modified:2023-06-14
Method:SOLID-STATE NMR
Cite:Structure of the Disulfide Bond Generating Membrane Protein DsbB in the Lipid Bilayer.
J.Mol.Biol., 425, 2013
6D78
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BU of 6d78 by Molmil
The complex between high-affinity TCR DMF5(alpha-D26Y,beta-L98W) and human Class I MHC HLA-A2 with the bound MART-1(27-35)peptide
Descriptor: Beta-2-microglobulin, DMF5 alpha chain,DMF5 alpha chain, DMF5 beta chain,DMF5 beta chain, ...
Authors:Hellman, L.M, Singh, N.K.
Deposit date:2018-04-24
Release date:2019-04-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.347 Å)
Cite:Improving T Cell Receptor On-Target Specificity via Structure-Guided Design.
Mol. Ther., 27, 2019
6DKP
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BU of 6dkp by Molmil
The complex among DMF5(alpha-D26Y, alpha-Y50A,beta-L98W) TCR, human Class I MHC HLA-A2 and MART-1(26-35)(A27L) peptide
Descriptor: Beta-2-microglobulin, DMF5 T-cell Receptor Alpha Chain fusion, DMF5 T-cell Receptor Beta Chain fusion, ...
Authors:Hellman, L.M, Singh, N.K.
Deposit date:2018-05-30
Release date:2019-04-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.966 Å)
Cite:Improving T Cell Receptor On-Target Specificity via Structure-Guided Design.
Mol. Ther., 27, 2019
7P56
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BU of 7p56 by Molmil
Variant Surface Glycoprotein 2 (VSG2, MiTat1.2, VSG221) Bound to Calcium
Descriptor: CALCIUM ION, Variant surface glycoprotein MITAT 1.2, alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gkeka, A, Aresta-Branco, F, Stebbins, C.E, Papavasiliou, F.N.
Deposit date:2021-07-14
Release date:2022-07-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.735 Å)
Cite:Immunodominant surface epitopes power immune evasion in the African trypanosome.
Cell Rep, 42, 2023

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数据于2024-07-24公开中

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