4TUM
 
 | | Crystal structure of Ankyrin Repeat Domain of AKR2 | | Descriptor: | Ankyrin repeat domain-containing protein 2 | | Authors: | Gwon, G.H, Cho, Y. | | Deposit date: | 2014-06-24 | | Release date: | 2014-09-24 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | An Ankyrin Repeat Domain of AKR2 Drives Chloroplast Targeting through Coincident Binding of Two Chloroplast Lipids.
Dev.Cell, 30, 2014
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8OKH
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2YPV
 | | Crystal structure of the Meningococcal vaccine antigen factor H binding protein in complex with a bactericidal antibody | | Descriptor: | 1,2-ETHANEDIOL, FAB 12C1, LIPOPROTEIN | | Authors: | Malito, E, Veggi, D, Bottomley, M.J. | | Deposit date: | 2012-11-01 | | Release date: | 2013-02-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Defining a Protective Epitope on Factor H Binding Protein, a Key Meningococcal Virulence Factor and Vaccine Antigen.
Proc.Natl.Acad.Sci.USA, 110, 2013
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6FO0
 | | CryoEM structure of bovine cytochrome bc1 in complex with the anti-malarial compound GSK932121 | | Descriptor: | 3-chloro-6-(hydroxymethyl)-2-methyl-5-{4-[3-(trifluoromethoxy)phenoxy]phenyl}pyridin-4-ol, Chain I/V, Cytochrome b, ... | | Authors: | Johnson, R.M, Amporndanai, K, O'Neill, P.M, Fishwick, C.W.G, Jamson, A.H, Rawson, S.D, Hasnain, S.S, Antonyuk, S.V, Muench, S.P. | | Deposit date: | 2018-02-05 | | Release date: | 2018-02-28 | | Last modified: | 2019-12-11 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | X-ray and cryo-EM structures of inhibitor-bound cytochromebc1complexes for structure-based drug discovery.
IUCrJ, 5, 2018
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6FO2
 | | CryoEM structure of bovine cytochrome bc1 with no ligand bound | | Descriptor: | Cytochrome b, Cytochrome b-c1 complex subunit 1, mitochondrial, ... | | Authors: | Johnson, R.M, Amporndanai, K, O'Neill, P.M, Fishwick, C.W.G, Jamson, A.H, Rawson, S.D, Hasnain, S.S, Antonyuk, S.V, Muench, S.P. | | Deposit date: | 2018-02-05 | | Release date: | 2018-02-28 | | Last modified: | 2019-12-11 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | X-ray and cryo-EM structures of inhibitor-bound cytochromebc1complexes for structure-based drug discovery.
IUCrJ, 5, 2018
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6H8S
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6RZG
 | | Galectin-3C in complex with meta-fluoroaryltriazole galactopyranosyl 1-thio-D-glucopyranoside derivative | | Descriptor: | (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol, CHLORIDE ION, Galectin-3 | | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | | Deposit date: | 2019-06-13 | | Release date: | 2020-07-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.015 Å) | | Cite: | Entropy-Entropy Compensation between the Protein, Ligand, and Solvent Degrees of Freedom Fine-Tunes Affinity in Ligand Binding to Galectin-3C.
Jacs Au, 1, 2021
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7Z0Y
 | | THSC20.HVTR04 Fab bound to SARS-CoV-2 Receptor Binding Domain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Spike protein S1, ... | | Authors: | Wibmer, C.K. | | Deposit date: | 2022-02-23 | | Release date: | 2022-04-13 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | A combination of potently neutralizing monoclonal antibodies isolated from an Indian convalescent donor protects against the SARS-CoV-2 Delta variant.
Plos Pathog., 18, 2022
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7Z0X
 | | THSC20.HVTR26 Fab bound to SARS-CoV-2 Receptor Binding Domain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Spike protein S1, ... | | Authors: | Wibmer, C.K. | | Deposit date: | 2022-02-23 | | Release date: | 2022-04-13 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A combination of potently neutralizing monoclonal antibodies isolated from an Indian convalescent donor protects against the SARS-CoV-2 Delta variant.
Plos Pathog., 18, 2022
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8BXY
 | | FimH in complex with alpha1,6 core-fucosylated oligomannose-3, crystallized in the trigonal space group | | Descriptor: | NICKEL (II) ION, SULFATE ION, Type 1 fimbrin D-mannose specific adhesin, ... | | Authors: | Bridot, C, Bouckaert, J, Krammer, E.-M. | | Deposit date: | 2022-12-11 | | Release date: | 2023-04-12 | | Last modified: | 2023-04-26 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structural insights into a cooperative switch between one and two FimH bacterial adhesins binding pauci- and high-mannose type N-glycan receptors.
J.Biol.Chem., 299, 2023
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8BY3
 | | FimH lectin domain in complex with oligomannose-6 | | Descriptor: | NICKEL (II) ION, SULFATE ION, Type 1 fimbrin D-mannose specific adhesin, ... | | Authors: | Bouckaert, J, Bourenkov, G.P. | | Deposit date: | 2022-12-11 | | Release date: | 2023-04-12 | | Last modified: | 2023-04-26 | | Method: | X-RAY DIFFRACTION (3.186 Å) | | Cite: | Structural insights into a cooperative switch between one and two FimH bacterial adhesins binding pauci- and high-mannose type N-glycan receptors.
J.Biol.Chem., 299, 2023
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6RZH
 | | Galectin-3C in complex with para-fluoroaryltriazole galactopyranosyl 1-thio-D-glucopyranoside derivative | | Descriptor: | (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol, CHLORIDE ION, Galectin-3 | | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | | Deposit date: | 2019-06-13 | | Release date: | 2020-07-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (0.947 Å) | | Cite: | Entropy-Entropy Compensation between the Protein, Ligand, and Solvent Degrees of Freedom Fine-Tunes Affinity in Ligand Binding to Galectin-3C.
Jacs Au, 1, 2021
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6VEO
 | | ATAD2B bromodomain in complex with 4-({[(3R,4R)-4-{[3-methyl-5-(5-methylpyridin-3-yl)-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl]amino}piperidin-3-yl]oxy}methyl)-1lambda~6~-thiane-1,1-dione (compound 38) | | Descriptor: | 4-({[(3R,4R)-4-{[3-methyl-5-(5-methylpyridin-3-yl)-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl]amino}piperidin-3-yl]oxy}methyl)-1lambda~6~-thiane-1,1-dione, ATPase family AAA domain-containing protein 2B, SULFATE ION | | Authors: | Glass, K.C. | | Deposit date: | 2020-01-02 | | Release date: | 2020-10-28 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Insights into the Recognition of Mono- and Diacetylated Histones by the ATAD2B Bromodomain.
J.Med.Chem., 63, 2020
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6RZF
 | | Galectin-3C in complex with ortho-fluoroaryltriazole galactopyranosyl 1-thio-D-glucopyranoside derivative | | Descriptor: | (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(2-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol, Galectin-3 | | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | | Deposit date: | 2019-06-13 | | Release date: | 2020-07-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.016 Å) | | Cite: | Entropy-Entropy Compensation between the Protein, Ligand, and Solvent Degrees of Freedom Fine-Tunes Affinity in Ligand Binding to Galectin-3C.
Jacs Au, 1, 2021
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6H8R
 | | CRYSTAL STRUCTURE OF THE HUMAN PROTEIN TYROSINE PHOSPHATASE PTPN5 (STEP) IN COMPLEX WITH COMPOUND 2 | | Descriptor: | 3-[(2~{S})-2-azanylpropyl]-5-(trifluoromethyl)phenol, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 5 | | Authors: | Hoerer, S, Fiegen, D, Schnapp, G. | | Deposit date: | 2018-08-03 | | Release date: | 2018-09-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Allosteric Activation of Striatal-Enriched Protein Tyrosine Phosphatase (STEP, PTPN5) by a Fragment-like Molecule.
J. Med. Chem., 62, 2019
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7WP1
 | | Cryo-EM structure of SARS-CoV-2 Mu S6P trimer in complex with neutralizing antibody VacW-209 (local refinement) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, VacW-209 heavy chain, ... | | Authors: | Zheng, Q, Sun, H, Ju, B, Zhang, Z, Li, S, Xia, N. | | Deposit date: | 2022-01-22 | | Release date: | 2022-07-13 | | Method: | ELECTRON MICROSCOPY (3.77 Å) | | Cite: | Immune escape by SARS-CoV-2 Omicron variant and structural basis of its effective neutralization by a broad neutralizing human antibody VacW-209.
Cell Res., 32, 2022
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7WP5
 | | Cryo-EM structure of SARS-CoV-2 Omicron S6P trimer in complex with neutralizing antibody VacW-209 (local refinement) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spikeprotein S1, VacW-209 heavy chain, ... | | Authors: | Zheng, Q, Sun, H, Ju, B, Zhang, Z, Li, S, Xia, N. | | Deposit date: | 2022-01-22 | | Release date: | 2022-07-13 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Immune escape by SARS-CoV-2 Omicron variant and structural basis of its effective neutralization by a broad neutralizing human antibody VacW-209.
Cell Res., 32, 2022
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7WON
 | | Cryo-EM structure of SARS-CoV-2 S2P trimer in complex with neutralizing antibody VacW-209 (local refinement) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, VacW-209 heavy chain, ... | | Authors: | Zheng, Q, Sun, H, Ju, B, Zhang, Z, Li, S, Xia, N. | | Deposit date: | 2022-01-22 | | Release date: | 2022-07-13 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Immune escape by SARS-CoV-2 Omicron variant and structural basis of its effective neutralization by a broad neutralizing human antibody VacW-209.
Cell Res., 32, 2022
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7WP2
 | | Cryo-EM structure of SARS-CoV-2 C.1.2 S6P trimer in complex with neutralizing antibody VacW-209 (local refinement) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, VacW-209 heavy chain, ... | | Authors: | Zheng, Q, Sun, H, Ju, B, Zhang, Z, Li, S, Xia, N. | | Deposit date: | 2022-01-22 | | Release date: | 2022-07-20 | | Method: | ELECTRON MICROSCOPY (3.52 Å) | | Cite: | Immune escape by SARS-CoV-2 Omicron variant and structural basis of its effective neutralization by a broad neutralizing human antibody VacW-209.
Cell Res., 32, 2022
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7WP0
 | | Cryo-EM structure of SARS-CoV-2 Delta S6P trimer in complex with neutralizing antibody VacW-209 (local refinement) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, IG c335_light_IGLV1-40_IGLJ3, Spike protein S1, ... | | Authors: | Zheng, Q, Sun, H, Ju, B, Zhang, Z, Li, S, Xia, N. | | Deposit date: | 2022-01-22 | | Release date: | 2022-07-20 | | Method: | ELECTRON MICROSCOPY (3.71 Å) | | Cite: | Immune escape by SARS-CoV-2 Omicron variant and structural basis of its effective neutralization by a broad neutralizing human antibody VacW-209.
Cell Res., 32, 2022
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6I3G
 | | Crystal structure of a putative peptide binding protein AppA from Clostridium difficile | | Descriptor: | ABC transporter, substrate-binding protein, family 5, ... | | Authors: | Hughes, A.M, Wilkinson, A, Dodson, E. | | Deposit date: | 2018-11-06 | | Release date: | 2019-04-10 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the putative peptide-binding protein AppA from Clostridium difficile.
Acta Crystallogr.,Sect.F, 75, 2019
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6WJ5
 | | Structure of human TRPA1 in complex with inhibitor GDC-0334 | | Descriptor: | (4R,5S)-4-fluoro-1-[(4-fluorophenyl)sulfonyl]-5-methyl-N-({5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl}methyl)-L-prolinamide, Transient receptor potential cation channel subfamily A member 1 | | Authors: | Rohou, A, Rouge, L, Arthur, C.P, Volgraf, M, Chen, H. | | Deposit date: | 2020-04-11 | | Release date: | 2021-02-17 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | A TRPA1 inhibitor suppresses neurogenic inflammation and airway contraction for asthma treatment.
J.Exp.Med., 218, 2021
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5LHX
 | | PB3 Domain of Drosophila melanogaster PLK4 (Sak) | | Descriptor: | Serine/threonine-protein kinase PLK4 | | Authors: | Cottee, M.A, Lea, S.M. | | Deposit date: | 2016-07-13 | | Release date: | 2017-03-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | A key centriole assembly interaction interface between human PLK4 and STIL appears to not be conserved in flies.
Biol Open, 6, 2017
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5LHZ
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5LHW
 | | Central Coiled-Coil Domain of Human STIL | | Descriptor: | HEXAETHYLENE GLYCOL, SCL-interrupting locus protein | | Authors: | Cottee, M.A, Lea, S.M. | | Deposit date: | 2016-07-13 | | Release date: | 2017-03-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (0.91 Å) | | Cite: | A key centriole assembly interaction interface between human PLK4 and STIL appears to not be conserved in flies.
Biol Open, 6, 2017
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