7JWY
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![BU of 7jwy by Molmil](/molmil-images/mine/7jwy) | Structure of SARS-CoV-2 spike at pH 4.5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Zhou, T, Tsybovsky, Y, Kwong, P.D. | Deposit date: | 2020-08-26 | Release date: | 2020-11-25 | Last modified: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains. Cell Host Microbe, 28, 2020
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7L5B
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7MXP
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![BU of 7mxp by Molmil](/molmil-images/mine/7mxp) | Cryo-EM structure of NTD-directed neutralizing antibody LP5 Fab in complex with SARS-CoV-2 S2P spike | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)][beta-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Reddem, E.R, Casner, R.G, Shapiro, L. | Deposit date: | 2021-05-19 | Release date: | 2022-05-25 | Last modified: | 2022-12-21 | Method: | ELECTRON MICROSCOPY (4.46 Å) | Cite: | Antibody screening at reduced pH enables preferential selection of potently neutralizing antibodies targeting SARS-CoV-2. Aiche J, 67, 2021
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5WAL
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![BU of 5wal by Molmil](/molmil-images/mine/5wal) | |
7KHF
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7KFK
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5WEV
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2P8S
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![BU of 2p8s by Molmil](/molmil-images/mine/2p8s) | Human dipeptidyl peptidase IV/CD26 in complex with a cyclohexalamine inhibitor | Descriptor: | (1S,2R,5S)-5-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-2-(2,4,5-TRIFLUOROPHENYL)CYCLOHEXANAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Scapin, G, Biftu, T. | Deposit date: | 2007-03-23 | Release date: | 2007-05-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Rational design of a novel, potent, and orally bioavailable cyclohexylamine DPP-4 inhibitor by application of molecular modeling and X-ray crystallography of sitagliptin Bioorg.Med.Chem.Lett., 17, 2007
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6UBI
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8H77
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![BU of 8h77 by Molmil](/molmil-images/mine/8h77) | Hsp90-AhR-p23-XAP2 complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, AH receptor-interacting protein, Aryl hydrocarbon receptor, ... | Authors: | Wen, Z.L, Zhai, Y.J, Zhu, Y, Sun, F. | Deposit date: | 2022-10-19 | Release date: | 2023-01-04 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM structure of the cytosolic AhR complex. Structure, 31, 2023
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6UCE
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6UCF
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6J6M
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![BU of 6j6m by Molmil](/molmil-images/mine/6j6m) | Co-crystal structure of BTK kinase domain with Zanubrutinib | Descriptor: | (7S)-2-(4-phenoxyphenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, IMIDAZOLE, Tyrosine-protein kinase BTK | Authors: | Zhou, X, Hong, Y. | Deposit date: | 2019-01-15 | Release date: | 2019-10-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J.Med.Chem., 62, 2019
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6VRW
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![BU of 6vrw by Molmil](/molmil-images/mine/6vrw) | Cryo-EM structure of stabilized HIV-1 Env trimer CAP256.wk34.c80 SOSIP.RnS2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | Authors: | Gorman, J, Kwong, P.D. | Deposit date: | 2020-02-10 | Release date: | 2020-03-11 | Last modified: | 2021-10-06 | Method: | ELECTRON MICROSCOPY (3.71 Å) | Cite: | Structure of Super-Potent Antibody CAP256-VRC26.25 in Complex with HIV-1 Envelope Reveals a Combined Mode of Trimer-Apex Recognition. Cell Rep, 31, 2020
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6VTT
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3COH
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![BU of 3coh by Molmil](/molmil-images/mine/3coh) | Crystal structure of Aurora-A in complex with a pentacyclic inhibitor | Descriptor: | 8-ethyl-3,10,10-trimethyl-4,5,6,8,10,12-hexahydropyrazolo[4',3':6,7]cyclohepta[1,2-b]pyrrolo[2,3-f]indol-9(1H)-one, Serine/threonine-protein kinase 6 | Authors: | Wiesmann, C, Raswson, T.E, Cochran, A.G. | Deposit date: | 2008-03-28 | Release date: | 2009-02-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A pentacyclic aurora kinase inhibitor (AKI-001) with high in vivo potency and oral bioavailability. J.Med.Chem., 51, 2008
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6XRT
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6XDG
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![BU of 6xdg by Molmil](/molmil-images/mine/6xdg) | Complex of SARS-CoV-2 receptor binding domain with the Fab fragments of two neutralizing antibodies | Descriptor: | REGN10933 antibody Fab fragment heavy chain, REGN10933 antibody Fab fragment light chain, REGN10987 antibody Fab fragment heavy chain, ... | Authors: | Franklin, M.C, Saotome, K, Romero Hernandez, A, Zhou, Y. | Deposit date: | 2020-06-10 | Release date: | 2020-06-24 | Last modified: | 2021-01-27 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Studies in humanized mice and convalescent humans yield a SARS-CoV-2 antibody cocktail. Science, 369, 2020
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6XCJ
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![BU of 6xcj by Molmil](/molmil-images/mine/6xcj) | Crystal Structure of DH650 Fab from a Rhesus Macaque in Complex with HIV-1 gp120 Core | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DH650 Fab Heavy Chain, DH650 Fab Light Chain, ... | Authors: | Raymond, D.D, Chug, H, Harrison, S.C. | Deposit date: | 2020-06-08 | Release date: | 2020-12-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Recapitulation of HIV-1 Env-antibody coevolution in macaques leading to neutralization breadth. Science, 371, 2021
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6NZ7
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6OXJ
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![BU of 6oxj by Molmil](/molmil-images/mine/6oxj) | X-ray crystal structure of Y140F FtmOx1 bound to Fe(II) | Descriptor: | FE (II) ION, Verruculogen synthase | Authors: | Dunham, N.P, Boal, A.K. | Deposit date: | 2019-05-13 | Release date: | 2019-07-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Hydrogen Donation but not Abstraction by a Tyrosine (Y68) during Endoperoxide Installation by Verruculogen Synthase (FtmOx1). J.Am.Chem.Soc., 141, 2019
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6OHG
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![BU of 6ohg by Molmil](/molmil-images/mine/6ohg) | Structure of Plasmodium falciparum vaccine candidate Pfs230D1M in complex with the Fab of a transmission blocking antibody | Descriptor: | 1,2-ETHANEDIOL, 1,3-PROPANDIOL, 4F12 Heavy chain, ... | Authors: | Garboczi, D.N, Singh, K, Gittis, A.G. | Deposit date: | 2019-04-05 | Release date: | 2020-06-17 | Last modified: | 2021-03-31 | Method: | X-RAY DIFFRACTION (2.385 Å) | Cite: | Structure and function of a malaria transmission blocking vaccine targeting Pfs230 and Pfs230-Pfs48/45 proteins. Commun Biol, 3, 2020
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6OXH
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5TKK
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5TKJ
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![BU of 5tkj by Molmil](/molmil-images/mine/5tkj) | Structure of vaccine-elicited diverse HIV-1 neutralizing antibody vFP1.01 in complex with HIV-1 fusion peptide residue 512-519 | Descriptor: | HIV-1 fusion peptide residue 512-519, SULFATE ION, vFP1.01 chimeric mouse antibody heavy chain, ... | Authors: | Xu, K, Liu, K, Kwong, P.D. | Deposit date: | 2016-10-06 | Release date: | 2018-04-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.118 Å) | Cite: | Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1. Nat. Med., 24, 2018
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