6XT3
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![BU of 6xt3 by Molmil](/molmil-images/mine/6xt3) | |
6XNG
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![BU of 6xng by Molmil](/molmil-images/mine/6xng) | MHC-like protein complex structure | Descriptor: | (3R)-N-[(2S,3R)-1-(alpha-D-galactopyranosyloxy)-3-hydroxyheptadecan-2-yl]-3-hydroxyheptadecanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | Authors: | Thirunavukkarasu, P, Le Nours, J, Rossjohn, J. | Deposit date: | 2020-07-02 | Release date: | 2021-11-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Host immunomodulatory lipids created by symbionts from dietary amino acids. Nature, 600, 2021
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6Y53
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![BU of 6y53 by Molmil](/molmil-images/mine/6y53) | human 17S U2 snRNP low resolution part | Descriptor: | HIV Tat-specific factor 1, Probable ATP-dependent RNA helicase DDX46, Small nuclear ribonucleoprotein E, ... | Authors: | Zhang, Z, Will, C.L, Bertram, K, Luehrmann, R, Stark, H. | Deposit date: | 2020-02-24 | Release date: | 2020-06-17 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (7.1 Å) | Cite: | Molecular architecture of the human 17S U2 snRNP. Nature, 583, 2020
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7Q9G
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![BU of 7q9g by Molmil](/molmil-images/mine/7q9g) | COVOX-222 fab in complex with SARS-CoV-2 beta-Spike glycoprotein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-222 heavy chain, ... | Authors: | Duyvesteyn, H.M.E, Ren, J, Stuart, D.I. | Deposit date: | 2021-11-12 | Release date: | 2021-12-15 | Last modified: | 2022-01-26 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | The antibody response to SARS-CoV-2 Beta underscores the antigenic distance to other variants. Cell Host Microbe, 30, 2022
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7Q9J
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![BU of 7q9j by Molmil](/molmil-images/mine/7q9j) | Beta-26 fab in complex with SARS-CoV-2 beta-Spike glycoprotein | 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-26 heavy chain, ... | Authors: | Duyvesteyn, H.M.E, Ren, J, Stuart, D.I. | Deposit date: | 2021-11-12 | Release date: | 2021-12-15 | Last modified: | 2022-01-26 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | The antibody response to SARS-CoV-2 Beta underscores the antigenic distance to other variants. Cell Host Microbe, 30, 2022
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7Q9K
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![BU of 7q9k by Molmil](/molmil-images/mine/7q9k) | Beta-32 fab in complex with SARS-CoV-2 beta-Spike glycoprotein | 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-32 heavy chain, ... | Authors: | Duyvesteyn, H.M.E, Ren, J, Stuart, D.I. | Deposit date: | 2021-11-12 | Release date: | 2021-12-15 | Last modified: | 2022-01-26 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | The antibody response to SARS-CoV-2 Beta underscores the antigenic distance to other variants. Cell Host Microbe, 30, 2022
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7Q9I
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![BU of 7q9i by Molmil](/molmil-images/mine/7q9i) | Beta-43 fab in complex with SARS-CoV-2 beta-Spike glycoprotein | 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-43 heavy chain, ... | Authors: | Duyvesteyn, H.M.E, Ren, J, Stuart, D.I. | Deposit date: | 2021-11-12 | Release date: | 2021-12-15 | Last modified: | 2022-01-26 | Method: | ELECTRON MICROSCOPY (4.9 Å) | Cite: | The antibody response to SARS-CoV-2 Beta underscores the antigenic distance to other variants. Cell Host Microbe, 30, 2022
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7Q9P
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![BU of 7q9p by Molmil](/molmil-images/mine/7q9p) | Beta-06 fab in complex with SARS-CoV-2 beta-Spike glycoprotein | 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-06 heavy chain, ... | Authors: | Duyvesteyn, H.M.E, Ren, J, Stuart, D.I. | Deposit date: | 2021-11-12 | Release date: | 2021-12-15 | Last modified: | 2022-01-26 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | The antibody response to SARS-CoV-2 Beta underscores the antigenic distance to other variants. Cell Host Microbe, 30, 2022
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6PD4
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![BU of 6pd4 by Molmil](/molmil-images/mine/6pd4) | Crystal Structure of Hendra Virus Attachment G Glycoprotein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Attachment glycoprotein, ... | Authors: | Xu, K, Nikolov, D.B. | Deposit date: | 2019-06-18 | Release date: | 2019-11-27 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | New insights into the Hendra virus attachment and entry process from structures of the virus G glycoprotein and its complex with Ephrin-B2. PLoS ONE, 7, 2012
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7QBU
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![BU of 7qbu by Molmil](/molmil-images/mine/7qbu) | B12-dependent radical SAM methyltransferase, Mmp10 with [4Fe-4S] cluster, cobalamin, and S-methyl-5'-thioadenosine bound. | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, CO-METHYLCOBALAMIN, DI(HYDROXYETHYL)ETHER, ... | Authors: | Fyfe, C.D, Chavas, L.M.G, Legrand, P, Benjdia, A, Berteau, O. | Deposit date: | 2021-11-19 | Release date: | 2022-02-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.298 Å) | Cite: | Crystallographic snapshots of a B 12 -dependent radical SAM methyltransferase. Nature, 602, 2022
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7QBT
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![BU of 7qbt by Molmil](/molmil-images/mine/7qbt) | B12-dependent radical SAM methyltransferase, Mmp10 with [4Fe-4S] cluster, cobalamin, and S-methyl-5'-thioadenosine bound. | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, CO-METHYLCOBALAMIN, FE (III) ION, ... | Authors: | Fyfe, C.D, Chavas, L.M.G, Legrand, P, Benjdia, A, Berteau, O. | Deposit date: | 2021-11-19 | Release date: | 2022-02-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystallographic snapshots of a B 12 -dependent radical SAM methyltransferase. Nature, 602, 2022
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7MX1
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![BU of 7mx1 by Molmil](/molmil-images/mine/7mx1) | PLK-1 polo-box domain in complex with a high affinity macrocycle synthesized using a novel glutamic acid analog | Descriptor: | ACE-PRO-LEU-ALA-SER-TPO, N-[(4S)-4,5-diamino-5-oxopentyl]-10-phenyldecanamide, Serine/threonine-protein kinase PLK1 | Authors: | Grant, R.A, Hymel, D, Yaffe, M.B, Burke, T.R. | Deposit date: | 2021-05-17 | Release date: | 2022-03-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Design and synthesis of a new orthogonally protected glutamic acid analog and its use in the preparation of high affinity polo-like kinase 1 polo-box domain - binding peptide macrocycles. Org.Biomol.Chem., 19, 2021
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6PG1
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![BU of 6pg1 by Molmil](/molmil-images/mine/6pg1) | Crystal Structure of EcDsbA in a complex with unpurified reaction product F1 (methylpiperazinone 6) | Descriptor: | 1,2-ETHANEDIOL, 2-methyl-4-{4-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]phenoxy}benzonitrile, COPPER (II) ION, ... | Authors: | Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J. | Deposit date: | 2019-06-23 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiL X ). J.Med.Chem., 63, 2020
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7QBV
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![BU of 7qbv by Molmil](/molmil-images/mine/7qbv) | B12-dependent radical SAM methyltransferase, Mmp10 with [4Fe-4S] cluster, cobalamin, and S-adenosyl-L-homocysteine bound. | Descriptor: | CO-METHYLCOBALAMIN, FE (III) ION, IRON/SULFUR CLUSTER, ... | Authors: | Fyfe, C.D, Chavas, L.M.G, Legrand, P, Benjdia, A, Berteau, O. | Deposit date: | 2021-11-19 | Release date: | 2022-02-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.701 Å) | Cite: | Crystallographic snapshots of a B 12 -dependent radical SAM methyltransferase. Nature, 602, 2022
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6YED
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![BU of 6yed by Molmil](/molmil-images/mine/6yed) | E.coli's Putrescine receptor PotF in its open apo state | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Shanmugaratnam, S, Kroeger, P, Hocker, B. | Deposit date: | 2020-03-24 | Release date: | 2021-01-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | A comprehensive binding study illustrates ligand recognition in the periplasmic binding protein PotF. Structure, 29, 2021
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6PDH
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![BU of 6pdh by Molmil](/molmil-images/mine/6pdh) | Crystal Structure of EcDsbA in a complex with purified pyrazole 9 | Descriptor: | 2-[4-(4-cyano-3-methylphenoxy)phenyl]-N-ethyl-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide, TRIETHYLENE GLYCOL, Thiol:disulfide interchange protein DsbA | Authors: | Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J. | Deposit date: | 2019-06-19 | Release date: | 2020-05-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiL X ). J.Med.Chem., 63, 2020
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8FLN
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![BU of 8fln by Molmil](/molmil-images/mine/8fln) | Crystal structure of BTK C481S kinase domain in complex with pirtobrutinib | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, SULFATE ION, ... | Authors: | Cedervall, E.P, Morales, T.H, Allerston, C.K. | Deposit date: | 2022-12-21 | Release date: | 2023-03-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.334 Å) | Cite: | Preclinical characterization of pirtobrutinib, a highly selective, noncovalent (reversible) BTK inhibitor. Blood, 142, 2023
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8FLL
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![BU of 8fll by Molmil](/molmil-images/mine/8fll) | Crystal structure of BTK kinase domain in complex with pirtobrutinib | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, SULFATE ION, ... | Authors: | Cedervall, E.P, Morales, T.H, Allerston, C.K. | Deposit date: | 2022-12-21 | Release date: | 2023-03-01 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.498 Å) | Cite: | Preclinical characterization of pirtobrutinib, a highly selective, noncovalent (reversible) BTK inhibitor. Blood, 142, 2023
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6Y5Q
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![BU of 6y5q by Molmil](/molmil-images/mine/6y5q) | human 17S U2 snRNP | Descriptor: | HIV Tat-specific factor 1, PHD finger-like domain-containing protein 5A, Probable ATP-dependent RNA helicase DDX46, ... | Authors: | Zhang, Z, Will, C.L, Bertram, K, Luehrmann, R, Stark, H. | Deposit date: | 2020-02-25 | Release date: | 2020-06-17 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (7.1 Å) | Cite: | Molecular architecture of the human 17S U2 snRNP. Nature, 583, 2020
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6YE8
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![BU of 6ye8 by Molmil](/molmil-images/mine/6ye8) | E.coli's Putrescine receptor PotF complexed with Spermidine | Descriptor: | (2R)-1-methoxypropan-2-amine, (2~{S})-1-(2-methoxyethoxy)propan-2-amine, CHLORIDE ION, ... | Authors: | Shanmugaratnam, S, Kroeger, P, Hocker, B. | Deposit date: | 2020-03-24 | Release date: | 2021-01-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A comprehensive binding study illustrates ligand recognition in the periplasmic binding protein PotF. Structure, 29, 2021
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6PAK
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![BU of 6pak by Molmil](/molmil-images/mine/6pak) | Insight into subtilisin E-S7 cleavage pattern based on crystal structure and hydrolysates peptide analysis | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Subtilisin E | Authors: | Tang, H, Shi, K, Aihara, H. | Deposit date: | 2019-06-11 | Release date: | 2019-10-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Enhancing subtilisin thermostability through a modified normalized B-factor analysis and loop-grafting strategy. J.Biol.Chem., 294, 2019
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7N2N
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![BU of 7n2n by Molmil](/molmil-images/mine/7n2n) | TCR-antigen complex AS4.2-PRPF3-HLA*B27 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, GLYCEROL, ... | Authors: | Yang, X, Jude, K.M, Garcia, K.C. | Deposit date: | 2021-05-29 | Release date: | 2022-12-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Autoimmunity-associated T cell receptors recognize HLA-B*27-bound peptides. Nature, 612, 2022
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6PCI
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![BU of 6pci by Molmil](/molmil-images/mine/6pci) | EBOV GPdMuc (Makona) in complex with rEBOV-520 and rEBOV-548 Fabs | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Virion spike glycoprotein, Virion spike glycoprotein,Virion spike glycoprotein,Ebola Virus (Makona) GP2, ... | Authors: | Ward, A.B, Murin, C.D, Alkutkar, T. | Deposit date: | 2019-06-17 | Release date: | 2020-03-11 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (4.12 Å) | Cite: | Analysis of a Therapeutic Antibody Cocktail Reveals Determinants for Cooperative and Broad Ebolavirus Neutralization. Immunity, 52, 2020
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6PD7
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![BU of 6pd7 by Molmil](/molmil-images/mine/6pd7) | Crystal Structure of EcDsbA in a complex with purified morpholine carboxylic acid 7 | Descriptor: | (3R)-4-{[4-(4-cyano-3-methylphenoxy)phenyl]acetyl}morpholine-3-carboxylic acid, Thiol:disulfide interchange protein DsbA | Authors: | Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J. | Deposit date: | 2019-06-18 | Release date: | 2020-05-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiL X ). J.Med.Chem., 63, 2020
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8FXB
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![BU of 8fxb by Molmil](/molmil-images/mine/8fxb) | SARS-CoV-2 XBB.1 spike RBD bound to the human ACE2 ectodomain and the S309 neutralizing antibody Fab fragment | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, S309 Heavy chain, ... | Authors: | Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D. | Deposit date: | 2023-01-24 | Release date: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Neutralization, effector function and immune imprinting of Omicron variants. Nature, 621, 2023
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