7CRF
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![BU of 7crf by Molmil](/molmil-images/mine/7crf) | Crystal structure of human TLR8 in complex with CU-CPD107 | Descriptor: | 1-[2-(ethoxymethyl)-4-iodanyl-5-phenyl-imidazol-1-yl]-2-methyl-propan-2-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Toll-like receptor 8, ... | Authors: | Sakaniwa, K, Tanji, H, Ohto, U, Shimizu, T. | Deposit date: | 2020-08-13 | Release date: | 2021-06-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Tetrasubstituted imidazoles as incognito Toll-like receptor 8 a(nta)gonists. Nat Commun, 12, 2021
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7WHK
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![BU of 7whk by Molmil](/molmil-images/mine/7whk) | The state 3 complex structure of Omicron spike with Bn03 (2-up RBD, 5 nanobodies) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Bn03_nano1, Bn03_nano2, ... | Authors: | Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L. | Deposit date: | 2021-12-30 | Release date: | 2022-05-11 | Method: | ELECTRON MICROSCOPY (3.01 Å) | Cite: | Broad neutralization of SARS-CoV-2 variants by an inhalable bispecific single-domain antibody. Cell, 185, 2022
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7WHI
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![BU of 7whi by Molmil](/molmil-images/mine/7whi) | The state 2 complex structure of Omicron spike with Bn03 (2-up RBD, 4 nanobodies) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Bn03_nano1, Bn03_nano2, ... | Authors: | Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L. | Deposit date: | 2021-12-30 | Release date: | 2022-05-11 | Method: | ELECTRON MICROSCOPY (2.93 Å) | Cite: | Broad neutralization of SARS-CoV-2 variants by an inhalable bispecific single-domain antibody. Cell, 185, 2022
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7WHJ
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![BU of 7whj by Molmil](/molmil-images/mine/7whj) | The state 1 complex structure of Omicron spike with Bn03 (1-up RBD, 3 nanobodies) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Bn03_nano1, Bn03_nano2, ... | Authors: | Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L. | Deposit date: | 2021-12-30 | Release date: | 2022-05-11 | Method: | ELECTRON MICROSCOPY (3.27 Å) | Cite: | Broad neutralization of SARS-CoV-2 variants by an inhalable bispecific single-domain antibody. Cell, 185, 2022
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5IGX
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![BU of 5igx by Molmil](/molmil-images/mine/5igx) | |
5I9Q
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![BU of 5i9q by Molmil](/molmil-images/mine/5i9q) | Crystal structure of 3BNC55 Fab in complex with 426c.TM4deltaV1-3 gp120 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3BNC55 Fab heavy chain, ... | Authors: | Scharf, L, Chen, C, Bjorkman, P.J. | Deposit date: | 2016-02-20 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis for germline antibody recognition of HIV-1 immunogens. Elife, 5, 2016
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4XAK
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![BU of 4xak by Molmil](/molmil-images/mine/4xak) | Crystal structure of potent neutralizing antibody m336 in complex with MERS Co-V RBD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Heavy chain of neutralizing antibody m336, ... | Authors: | Zhou, T, Dimtrov, D.S, Ying, T. | Deposit date: | 2014-12-15 | Release date: | 2015-08-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Junctional and allele-specific residues are critical for MERS-CoV neutralization by an exceptionally potent germline-like antibody. Nat Commun, 6, 2015
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5WYZ
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![BU of 5wyz by Molmil](/molmil-images/mine/5wyz) | Crystal structure of human TLR8 in complex with CU-CPT9b | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(3-methyl-4-oxidanyl-phenyl)quinolin-7-ol, ... | Authors: | Tanji, H, Ohto, U, Shimizu, T. | Deposit date: | 2017-01-16 | Release date: | 2017-12-13 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Small-molecule inhibition of TLR8 through stabilization of its resting state Nat. Chem. Biol., 14, 2018
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5Z15
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![BU of 5z15 by Molmil](/molmil-images/mine/5z15) | Crystal structure of human TLR8 in complex with CU-CPT9c | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(7-chloranylquinolin-4-yl)-2-methyl-phenol, ... | Authors: | Tanji, H, Ohto, U, Shimizu, T. | Deposit date: | 2017-12-25 | Release date: | 2018-07-04 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Inhibition of Toll-like Receptor 8 by Specifically Targeting a Unique Allosteric Site and Locking Its Resting State To Be Published
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5WYX
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![BU of 5wyx by Molmil](/molmil-images/mine/5wyx) | Crystal structure of human TLR8 in complex with CU-CPT8m | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide, ... | Authors: | Tanji, H, Ohto, U, Shimizu, T. | Deposit date: | 2017-01-16 | Release date: | 2017-12-13 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Small-molecule inhibition of TLR8 through stabilization of its resting state Nat. Chem. Biol., 14, 2018
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5Z14
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![BU of 5z14 by Molmil](/molmil-images/mine/5z14) | Crystal structure of human TLR8 in complex with CU-CPT9a | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(7-methoxyquinolin-4-yl)-2-methyl-phenol, ... | Authors: | Tanji, H, Ohto, U, Shimizu, T. | Deposit date: | 2017-12-25 | Release date: | 2018-07-04 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Inhibition of Toll-like Receptor 8 by Specifically Targeting a Unique Allosteric Site and Locking Its Resting State To Be Published
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8K5N
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![BU of 8k5n by Molmil](/molmil-images/mine/8k5n) | 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
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5FA2
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![BU of 5fa2 by Molmil](/molmil-images/mine/5fa2) | Crystal structure of 426c.TM4deltaV1-3 p120 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRATE ANION, THIOCYANATE ION, ... | Authors: | Scharf, L, Bjorkman, P.J. | Deposit date: | 2015-12-10 | Release date: | 2016-04-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for germline antibody recognition of HIV-1 immunogens. Elife, 5, 2016
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5FEC
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![BU of 5fec by Molmil](/molmil-images/mine/5fec) | |
4BV6
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![BU of 4bv6 by Molmil](/molmil-images/mine/4bv6) | Refined crystal structure of the human Apoptosis inducing factor | Descriptor: | APOPTOSIS-INDUCING FACTOR 1, MITOCHONDRIAL, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Martinez-Julvez, M, Herguedas, B, Hermoso, J.A, Ferreira, P, Villanueva, R, Medina, M. | Deposit date: | 2013-06-25 | Release date: | 2014-09-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Insights Into the Coenzyme Mediated Monomer-Dimer Transition of the Pro-Apoptotic Apoptosis Inducing Factor. Biochemistry, 53, 2014
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7V2A
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![BU of 7v2a by Molmil](/molmil-images/mine/7v2a) | SARS-CoV-2 Spike trimer in complex with XG014 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, The heavy chain of XG014, ... | Authors: | Wang, K, Wang, X, Pan, L. | Deposit date: | 2021-08-07 | Release date: | 2021-10-20 | Last modified: | 2022-07-06 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | An ultrapotent pan-beta-coronavirus lineage B ( beta-CoV-B) neutralizing antibody locks the receptor-binding domain in closed conformation by targeting its conserved epitope. Protein Cell, 13, 2022
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7V26
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![BU of 7v26 by Molmil](/molmil-images/mine/7v26) | XG005-bound SARS-CoV-2 S | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, XG005 Heavy chain, ... | Authors: | Zhan, W.Q, Zhang, X, Sun, L, Chen, Z.G. | Deposit date: | 2021-08-07 | Release date: | 2021-10-20 | Last modified: | 2022-07-06 | Method: | ELECTRON MICROSCOPY (3.85 Å) | Cite: | An ultrapotent pan-beta-coronavirus lineage B ( beta-CoV-B) neutralizing antibody locks the receptor-binding domain in closed conformation by targeting its conserved epitope. Protein Cell, 13, 2022
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7X4E
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![BU of 7x4e by Molmil](/molmil-images/mine/7x4e) | Structure of 10635-DndE | Descriptor: | DNA sulfur modification protein DndE, GLYCEROL | Authors: | Haiyan, G, Wei, H, Chen, S, Wang, L, Wu, G. | Deposit date: | 2022-03-02 | Release date: | 2022-04-20 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Structural and Functional Analysis of DndE Involved in DNA Phosphorothioation in the Haloalkaliphilic Archaea Natronorubrum bangense JCM10635. Mbio, 13, 2022
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1R7L
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![BU of 1r7l by Molmil](/molmil-images/mine/1r7l) | 2.0 A Crystal Structure of a Phage Protein from Bacillus cereus ATCC 14579 | Descriptor: | Phage protein | Authors: | Zhang, R, Joachimiak, G, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2003-10-21 | Release date: | 2004-07-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of phage protein BC1872 from Bacillus cereus, a singleton with new fold Proteins, 64, 2006
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7EZW
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![BU of 7ezw by Molmil](/molmil-images/mine/7ezw) | Cyclic Peptide that Interacts with the eIF4E Capped-mRNA Binding Site | Descriptor: | ALA-CYS-GLU-MET-GLY-PHE-PHE-GLN-ASP-CYS-GLY, Eukaryotic translation initiation factor 4E, SODIUM ION | Authors: | Brown, C.J, Ng, S, Frosi, Y. | Deposit date: | 2021-06-02 | Release date: | 2022-06-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Development of a novel peptide aptamer that interacts with the eIF4E capped-mRNA binding site using peptide epitope linker evolution (PELE). Rsc Chem Biol, 3, 2022
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7F07
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![BU of 7f07 by Molmil](/molmil-images/mine/7f07) | Autonomous VH domain that interacts with eIF4E at the Capped mRNA Binding site. | Descriptor: | Eukaryotic translation initiation factor 4E, VH domain (VH-DiFCAP-01) | Authors: | Brown, C.J, Frosi, Y, Ng, S, Lin, Y.C. | Deposit date: | 2021-06-03 | Release date: | 2022-06-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Development of a novel peptide aptamer that interacts with the eIF4E capped-mRNA binding site using peptide epitope linker evolution (PELE). Rsc Chem Biol, 3, 2022
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5UR1
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![BU of 5ur1 by Molmil](/molmil-images/mine/5ur1) | FGFR1 kinase domain complex with SN37333 in reversible binding mode | Descriptor: | 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{1-[4-(dimethylamino)but-2-enoyl]piperidin-4-yl}-7-(phenylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, Fibroblast growth factor receptor 1 | Authors: | Yosaatmadja, Y, Paik, W.-K, Smaill, J.B, Squire, C.J. | Deposit date: | 2017-02-09 | Release date: | 2017-05-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 2-Oxo-3, 4-dihydropyrimido[4, 5-d]pyrimidinyl derivatives as new irreversible pan fibroblast growth factor receptor (FGFR) inhibitors. Eur J Med Chem, 135, 2017
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7C53
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![BU of 7c53 by Molmil](/molmil-images/mine/7c53) | |
7FEM
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![BU of 7fem by Molmil](/molmil-images/mine/7fem) | SARS-CoV-2 B.1.1.7 S-ACE2 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | Wen, Z.L, Zhu, Y, Sun, F. | Deposit date: | 2021-07-21 | Release date: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Structure-based evidence for the enhanced transmissibility of the dominant SARS-CoV-2 B.1.1.7 variant (Alpha). Cell Discov, 7, 2021
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7FET
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![BU of 7fet by Molmil](/molmil-images/mine/7fet) | SARS-CoV-2 B.1.1.7 Spike Glycoprotein trimer | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Wen, Z.L, Zhu, Y, Sun, F. | Deposit date: | 2021-07-21 | Release date: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structure-based evidence for the enhanced transmissibility of the dominant SARS-CoV-2 B.1.1.7 variant (Alpha). Cell Discov, 7, 2021
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