6BGA
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![BU of 6bga by Molmil](/molmil-images/mine/6bga) | 2B4 I-Ek TCR-MHC complex with affinity-enhancing Velcro peptide | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2B4 peptide,MHC I-Ek B chain, ... | Authors: | Gee, M.H, Sibener, L.V, Birnbaum, M.E, Jude, K.M, Garcia, K.C. | Deposit date: | 2017-10-27 | Release date: | 2018-07-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.307 Å) | Cite: | Stress-testing the relationship between T cell receptor/peptide-MHC affinity and cross-reactivity using peptide velcro. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6BBV
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![BU of 6bbv by Molmil](/molmil-images/mine/6bbv) | Crystal Structure of JAK2 in complex with compound 25 | Descriptor: | N-{cis-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide, Tyrosine-protein kinase JAK2 | Authors: | Han, S. | Deposit date: | 2017-10-19 | Release date: | 2018-01-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Identification of N-{cis-3-[Methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide (PF-04965842): A Selective JAK1 Clinical Candidate for the Treatment of Autoimmune Diseases. J. Med. Chem., 61, 2018
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2O7N
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![BU of 2o7n by Molmil](/molmil-images/mine/2o7n) | CD11A (LFA1) I-domain complexed with 7A-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7A-tetrahydro-1H-pyrrolo[1,2-A]pyrrole-7-carbonitrile | Descriptor: | 7A-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7A-tetrahydro-1H-pyrrolo[1,2-A]pyrrole-7-carbonitrile, Integrin alpha-L | Authors: | Sheriff, S. | Deposit date: | 2006-12-11 | Release date: | 2007-03-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Design of LFA-1 antagonists based on a 2,3-dihydro-1H-pyrrolizin-5(7aH)-one scaffold. Bioorg.Med.Chem.Lett., 17, 2007
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6BJ3
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![BU of 6bj3 by Molmil](/molmil-images/mine/6bj3) | TCR55 in complex with HIV(Pol448-456)/HLA-B35 | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, HIV Pol B35 peptide, ... | Authors: | Jude, K.M, Sibener, L.V, Garcia, K.C. | Deposit date: | 2017-11-03 | Release date: | 2018-07-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.898 Å) | Cite: | Isolation of a Structural Mechanism for Uncoupling T Cell Receptor Signaling from Peptide-MHC Binding. Cell, 174, 2018
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6BJ2
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![BU of 6bj2 by Molmil](/molmil-images/mine/6bj2) | TCR589 in complex with HIV(Pol448-456)/HLA-B35 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, ... | Authors: | Jude, K.M, Sibener, L.V, Garcia, K.C. | Deposit date: | 2017-11-03 | Release date: | 2018-07-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Isolation of a Structural Mechanism for Uncoupling T Cell Receptor Signaling from Peptide-MHC Binding. Cell, 174, 2018
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8JA8
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![BU of 8ja8 by Molmil](/molmil-images/mine/8ja8) | |
8JAC
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![BU of 8jac by Molmil](/molmil-images/mine/8jac) | Crystal structure of Mycobacterium tuberculosis LpqY in complex with trehalose analogue YB-16 | Descriptor: | N-[[(2R,3S,4S,5R,6S)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl]ethanamide, SULFATE ION, Trehalose-binding lipoprotein LpqY, ... | Authors: | Zhang, B, Liang, J, Rao, Z. | Deposit date: | 2023-05-05 | Release date: | 2023-09-27 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABC. Proc.Natl.Acad.Sci.USA, 120, 2023
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8JAB
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![BU of 8jab by Molmil](/molmil-images/mine/8jab) | Crystal structure of Mycobacterium tuberculosis LpqY in complex with trehalose analogue YB-06 | Descriptor: | (2~{S},3~{S},4~{R},5~{S},6~{R})-2-(fluoranylmethyl)-6-[(2~{R},3~{R},4~{S},5~{S},6~{S})-6-(fluoranylmethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxane-3,4,5-triol, SULFATE ION, Trehalose-binding lipoprotein LpqY | Authors: | Zhang, B, Liang, J, Rao, Z. | Deposit date: | 2023-05-05 | Release date: | 2023-09-27 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABC. Proc.Natl.Acad.Sci.USA, 120, 2023
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8JA7
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![BU of 8ja7 by Molmil](/molmil-images/mine/8ja7) | Cryo-EM structure of Mycobacterium tuberculosis LpqY-SugABC in complex with trehalose | Descriptor: | Trehalose import ATP-binding protein SugC, Trehalose transport system permease protein SugA, Trehalose transport system permease protein SugB, ... | Authors: | Zhang, B, Liang, J, Rao, Z. | Deposit date: | 2023-05-05 | Release date: | 2023-09-27 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (3.02 Å) | Cite: | Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABC. Proc.Natl.Acad.Sci.USA, 120, 2023
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8JAD
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![BU of 8jad by Molmil](/molmil-images/mine/8jad) | Crystal structure of Mycobacterium tuberculosis LpqY in complex with trehalose analogue YB-17 | Descriptor: | BENZOIC ACID, SULFATE ION, Trehalose-binding lipoprotein LpqY, ... | Authors: | Zhang, B, Liang, J, Rao, Z. | Deposit date: | 2023-05-05 | Release date: | 2023-09-27 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABC. Proc.Natl.Acad.Sci.USA, 120, 2023
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8JA9
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![BU of 8ja9 by Molmil](/molmil-images/mine/8ja9) | Crystal structure of Mycobacterium tuberculosis LpqY in complex with trehalose analogue YB-03 | Descriptor: | SULFATE ION, Trehalose-binding lipoprotein LpqY, alpha-D-glucopyranose-(1-1)-(2~{S},3~{R},4~{S},5~{S},6~{S})-6-[(2-azanylhydrazinyl)methyl]oxane-2,3,4,5-tetrol | Authors: | Zhang, B, Liang, J, Rao, Z. | Deposit date: | 2023-05-05 | Release date: | 2023-10-04 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABC. Proc.Natl.Acad.Sci.USA, 120, 2023
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8JAA
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![BU of 8jaa by Molmil](/molmil-images/mine/8jaa) | Crystal structure of Mycobacterium tuberculosis LpqY in complex with trehalose analogue YB-04 | Descriptor: | (2~{S},3~{R},4~{S},5~{S},6~{S})-6-[(2-azanylhydrazinyl)methyl]oxane-2,3,4,5-tetrol, SULFATE ION, Trehalose-binding lipoprotein LpqY | Authors: | Zhang, B, Liang, J, Rao, Z. | Deposit date: | 2023-05-05 | Release date: | 2023-10-04 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABC. Proc.Natl.Acad.Sci.USA, 120, 2023
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7F00
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![BU of 7f00 by Molmil](/molmil-images/mine/7f00) | Crystal structure of SPD_0310 | Descriptor: | SULFATE ION, UPF0371 protein SPRM200_0309 | Authors: | Cao, K, Zhang, T, Li, N, Yang, X, Ding, J, He, Q, Sun, X. | Deposit date: | 2021-06-03 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Identification and Tetramer Structure of Hemin-Binding Protein SPD_0310 Linked to Iron Homeostasis and Virulence of Streptococcus pneumoniae. Msystems, 7, 2022
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6NZR
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![BU of 6nzr by Molmil](/molmil-images/mine/6nzr) | |
7VAH
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![BU of 7vah by Molmil](/molmil-images/mine/7vah) | |
8WKJ
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![BU of 8wkj by Molmil](/molmil-images/mine/8wkj) | |
8WOU
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![BU of 8wou by Molmil](/molmil-images/mine/8wou) | |
6K1Z
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![BU of 6k1z by Molmil](/molmil-images/mine/6k1z) | Crystal structure of farnesylated hGBP1 | Descriptor: | FARNESYL, Guanylate-binding protein 1 | Authors: | Du, S, Xiao, J.Y. | Deposit date: | 2019-05-13 | Release date: | 2019-06-12 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (2.307 Å) | Cite: | Structural mechanism for guanylate-binding proteins (GBPs) targeting by the Shigella E3 ligase IpaH9.8. Plos Pathog., 15, 2019
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8HJ4
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![BU of 8hj4 by Molmil](/molmil-images/mine/8hj4) | |
7D5I
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![BU of 7d5i by Molmil](/molmil-images/mine/7d5i) | Structure of Mycobacterium smegmatis bd complex in the apo-form. | Descriptor: | CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, Cytochrome D ubiquinol oxidase subunit 1, HEME B/C, ... | Authors: | Wang, W, Gong, H, Gao, Y, Zhou, X, Rao, Z. | Deposit date: | 2020-09-26 | Release date: | 2021-06-23 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.79 Å) | Cite: | Cryo-EM structure of mycobacterial cytochrome bd reveals two oxygen access channels. Nat Commun, 12, 2021
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8I0A
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![BU of 8i0a by Molmil](/molmil-images/mine/8i0a) | |
8IYJ
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![BU of 8iyj by Molmil](/molmil-images/mine/8iyj) | Cryo-EM structure of the 48-nm repeat doublet microtubule from mouse sperm | Descriptor: | Cilia and flagella-associated protein 77, Cilia- and flagella-associated protein 107, Cilia- and flagella-associated protein 141, ... | Authors: | Zhou, L.N, Gui, M, Wu, J.P. | Deposit date: | 2023-04-05 | Release date: | 2023-07-05 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structures of sperm flagellar doublet microtubules expand the genetic spectrum of male infertility. Cell, 186, 2023
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7XMX
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![BU of 7xmx by Molmil](/molmil-images/mine/7xmx) | Cryo-EM structure of SARS-CoV-2 spike glycoprotein in complex with three F61 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, F61 heavy chain, F61 light chain, ... | Authors: | Wang, X, Li, X. | Deposit date: | 2022-04-27 | Release date: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (3.62 Å) | Cite: | Structural basis of a two-antibody cocktail exhibiting highly potent and broadly neutralizing activities against SARS-CoV-2 variants including diverse Omicron sublineages. Cell Discov, 8, 2022
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7XMZ
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![BU of 7xmz by Molmil](/molmil-images/mine/7xmz) | Cryo-EM structure of SARS-CoV-2 spike glycoprotein in complex with three D2 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D2 heavy chain, D2 light chain, ... | Authors: | Wang, X, Li, X. | Deposit date: | 2022-04-27 | Release date: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (3.25 Å) | Cite: | Structural basis of a two-antibody cocktail exhibiting highly potent and broadly neutralizing activities against SARS-CoV-2 variants including diverse Omicron sublineages. Cell Discov, 8, 2022
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1ZV4
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![BU of 1zv4 by Molmil](/molmil-images/mine/1zv4) | Structure of the Regulator of G-Protein Signaling 17 (RGSZ2) | Descriptor: | Regulator of G-protein signaling 17 | Authors: | Schoch, G.A, Jansson, A, Elkins, J.M, Haroniti, A, Niesen, F.H, Bunkoczi, G, Lee, W.H, Turnbull, A.P, Yang, X, Sundstrom, M, Arrowsmith, C, Edwards, A, Marsden, B, Gileadi, O, Ball, L, von Delft, F, Doyle, D.A, Structural Genomics Consortium (SGC) | Deposit date: | 2005-06-01 | Release date: | 2005-06-28 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits. Proc.Natl.Acad.Sci.Usa, 105, 2008
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