7A3L
 
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7A3J
 | | Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, A272 | | Descriptor: | 2-ethyl-2-methanoyl-~{N}-[3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]phenyl]butanamide, CHLORIDE ION, Dipeptidyl peptidase 8, ... | | Authors: | Ross, B.H, Huber, R. | | Deposit date: | 2020-08-18 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Chemoproteomics-Enabled Identification of 4-Oxo-beta-Lactams as Inhibitors of Dipeptidyl Peptidases 8 and 9.
Angew.Chem.Int.Ed.Engl., 2022
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8CE2
 | | X-ray structure of the adduct formed upon reaction of a B-DNA double helical dodecamer with dirhodium tetraacetate | | Descriptor: | CHLORIDE ION, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION, ... | | Authors: | Tito, G, Troisi, R, Ferraro, G, Sica, F, Merlino, A. | | Deposit date: | 2023-02-01 | | Release date: | 2023-05-31 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Dirhodium tetraacetate binding to a B-DNA double helical dodecamer probed by X-ray crystallography and mass spectrometry.
Dalton Trans, 52, 2023
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7NL0
 | | Cryo-EM structure of the Lin28B nucleosome core particle | | Descriptor: | DNA (131-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ... | | Authors: | Roberts, G.A, Ozkan, B, Gachulincova, I, O Dwyer, M.R, Hall-Ponsele, E, Saxena, M, Robinson, P.J, Soufi, A. | | Deposit date: | 2021-02-19 | | Release date: | 2021-08-11 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Dissecting OCT4 defines the role of nucleosome binding in pluripotency.
Nat.Cell Biol., 23, 2021
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8C6J
 | | Human spliceosomal PM5 C* complex | | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent RNA helicase DHX8, ... | | Authors: | Dybkov, O, Kastner, B, Luehrmann, R. | | Deposit date: | 2023-01-12 | | Release date: | 2023-07-12 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Regulation of 3' splice site selection after step 1 of splicing by spliceosomal C* proteins.
Sci Adv, 9, 2023
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7PQI
 | | Acinetobacter baumannii DNA gyrase B 23kDa ATPase subdomain complexed with novobiocin | | Descriptor: | 1,2-ETHANEDIOL, DNA gyrase subunit B, NOVOBIOCIN | | Authors: | Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | | Deposit date: | 2021-09-17 | | Release date: | 2022-09-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa.
J.Med.Chem., 66, 2023
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5MIN
 | | Apo form of the soluble PQQ-dependent Glucose Dehydrogenase from Acinetobacter calcoaceticus | | Descriptor: | CALCIUM ION, CHLORIDE ION, Quinoprotein glucose dehydrogenase B | | Authors: | Stines-Chaumeil, C, Mavre, F, Limoges, B, Kauffmann, B, Mano, N. | | Deposit date: | 2016-11-28 | | Release date: | 2017-12-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Apo form of the soluble PQQ-dependent Glucose Dehydrogenase from Acinetobacter calcoaceticus
To Be Published
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6XQ3
 | | Receptor for Advanced Glycation End Products VC1 domain in complex with 3-(3-(((3-(4-Carboxyphenoxy)benzyl)oxy)methyl)phenyl)-1H-indole-2-carboxylic acid | | Descriptor: | 3-(3-{[3-(4-carboxyphenoxy)phenyl]methoxy}phenyl)-1H-indole-2-carboxylic acid, ACETATE ION, Advanced glycosylation end product-specific receptor, ... | | Authors: | Salay, L.E, Kozlyuk, N, Gilston, B.A, Gogliotti, R.D, Christov, P.P, Kim, K, Ovee, M, Waterson, A.G, Chazin, W.J. | | Deposit date: | 2020-07-09 | | Release date: | 2021-07-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | A fragment-based approach to discovery of Receptor for Advanced Glycation End products inhibitors.
Proteins, 89, 2021
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8TW0
 | | Crystal Structure of a synthetic ABC heterotrimeric Collagen-like Peptide at 1.53 A | | Descriptor: | Collagen Mimetic Peptide A, Collagen Mimetic Peptide B, Collagen Mimetic Peptide C, ... | | Authors: | Miller, M.D, Cole, C.C, Xu, W, Walker, D.R, Hulgan, S.A.H, Pogostin, B.H, Swain, J.W.R, Duella, R, Misiura, M, Wang, X, Kolomeisky, A.B, Phillips Jr, G.N, Hartgerink, J.D. | | Deposit date: | 2023-08-18 | | Release date: | 2024-05-29 | | Last modified: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Heterotrimeric collagen helix with high specificity of assembly results in a rapid rate of folding.
Nat.Chem., 2024
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8T4L
 | | MD65 N332-GT5 SOSIP in complex with RM_N332_07 Fab and RM20A3 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MD65 N332-GT5 SOSIP gp120, ... | | Authors: | Ozorowski, G, Torres, J.L, Ward, A.B. | | Deposit date: | 2023-06-09 | | Release date: | 2024-05-08 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Vaccine priming of rare HIV broadly neutralizing antibody precursors in nonhuman primates.
Science, 384, 2024
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7NA2
 | | HDM2 in complex with compound 56 | | Descriptor: | 3-[4-(5-chloropyridin-3-yl)-2-[(4aR,7aR)-hexahydrocyclopenta[b][1,4]oxazin-4(4aH)-yl]-3-{[(1r,4R)-4-methylcyclohexyl]methyl}-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4H)-one, Isoform 11 of E3 ubiquitin-protein ligase Mdm2 | | Authors: | Scapin, G. | | Deposit date: | 2021-06-19 | | Release date: | 2021-11-10 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Discovery of MK-4688 : an Efficient Inhibitor of the HDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
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6XZ1
 | | Conjugate of the HECT domain of HUWE1 with ubiquitin | | Descriptor: | HECT, UBA and WWE domain containing 1, isoform CRA_a, ... | | Authors: | Liu, B, Seenivasan, A, Nair, R, Chen, D, Lowe, E.D, Lorenz, S. | | Deposit date: | 2020-01-31 | | Release date: | 2021-08-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Reconstitution and Structural Analysis of a HECT Ligase-Ubiquitin Complex via an Activity-Based Probe.
Acs Chem.Biol., 16, 2021
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6S7T
 | | Cryo-EM structure of human oligosaccharyltransferase complex OST-B | | Descriptor: | (2Z,6Z,10Z,14Z,18Z,22Z,26Z)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl dihydrogen phosphate, (2~{S},3~{R},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-[(1~{S},2~{R},3~{R},4~{R},5'~{S},6~{S},7~{R},8~{S},9~{R},12~{R},13~{R},15~{S},16~{S},18~{R})-5',7,9,13-tetramethyl-3,15-bis(oxidanyl)spiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-16-yl]oxy-oxane-3,4,5-triol, (4R,7R)-4-hydroxy-N,N,N-trimethyl-4,9-dioxo-7-[(undecanoyloxy)methyl]-3,5,8-trioxa-4lambda~5~-phosphadocosan-1-aminium, ... | | Authors: | Ramirez, A.S, Kowal, J, Locher, K.P. | | Deposit date: | 2019-07-05 | | Release date: | 2019-12-18 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Cryo-electron microscopy structures of human oligosaccharyltransferase complexes OST-A and OST-B.
Science, 366, 2019
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6P8Q
 | | EGFR in complex with a dihydrodibenzodiazepinone allosteric inhibitor. | | Descriptor: | 1,2-ETHANEDIOL, 10-benzyl-2-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one, ADENOSINE MONOPHOSPHATE, ... | | Authors: | Yun, C.H, Heppner, D.E, Eck, M.J. | | Deposit date: | 2019-06-07 | | Release date: | 2019-12-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery and Optimization of Dibenzodiazepinones as Allosteric Mutant-Selective EGFR Inhibitors.
Acs Med.Chem.Lett., 10, 2019
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5MY3
 | | Crystal structure of the RhoGAP domain of Rgd1p at 2.19 Angstroms resolution | | Descriptor: | RHO GTPase-activating protein RGD1 | | Authors: | Martinez, D.M, d'Estaintot, B.L, Granier, T, Hugues, M, Odaert, B, Gallois, B, Doignon, F. | | Deposit date: | 2017-01-25 | | Release date: | 2018-01-24 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Structural evidence of a phosphoinositide-binding site in the Rgd1-RhoGAP domain.
Biochem. J., 474, 2017
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6PI0
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7AYR
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7AYQ
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7B3G
 | | Notum complex with ARUK3003902 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-((2-chlorophenyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one, ... | | Authors: | Zhao, Y, Jone, E.Y. | | Deposit date: | 2020-11-30 | | Release date: | 2021-12-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Virtual Screening Directly Identifies New Fragment-Sized Inhibitors of Carboxylesterase Notum with Nanomolar Activity.
J.Med.Chem., 65, 2022
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7TLN
 | | STRUCTURAL ANALYSIS OF THE INHIBITION OF THERMOLYSIN BY AN ACTIVE-SITE-DIRECTED IRREVERSIBLE INHIBITOR | | Descriptor: | 2-(ACETYL-HYDROXY-AMINO)-4-METHYL-PENTANOIC ACID METHYL ESTER, CALCIUM ION, THERMOLYSIN, ... | | Authors: | Matthews, B.W, Holmes, M.A, Tronrud, D.E. | | Deposit date: | 1983-01-27 | | Release date: | 1983-03-09 | | Last modified: | 2022-11-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural analysis of the inhibition of thermolysin by an active-site-directed irreversible inhibitor.
Biochemistry, 22, 1983
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5K9K
 | | Crystal structure of multidonor HV6-1-class broadly neutralizing Influenza A antibody 56.a.09 in complex with Hemagglutinin Hong Kong 1968. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 56.a.09 Heavy chain, ... | | Authors: | Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D. | | Deposit date: | 2016-05-31 | | Release date: | 2016-12-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.97 Å) | | Cite: | Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses.
Cell, 166, 2016
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8G99
 | | Partial auto-inhibitory complex of Xenopus laevis DNA polymerase alpha-primase | | Descriptor: | DNA polymerase alpha catalytic subunit, DNA polymerase alpha subunit B, DNA primase large subunit, ... | | Authors: | Mullins, E.A, Chazin, W.J, Eichman, B.F. | | Deposit date: | 2023-02-21 | | Release date: | 2023-04-12 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | A mechanistic model of primer synthesis from catalytic structures of DNA polymerase alpha-primase.
Nat.Struct.Mol.Biol., 31, 2024
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8G9F
 | | Complete auto-inhibitory complex of Xenopus laevis DNA polymerase alpha-primase | | Descriptor: | DNA polymerase alpha catalytic subunit, DNA polymerase alpha subunit B, DNA primase, ... | | Authors: | Mullins, E.A, Chazin, W.J, Eichman, B.F. | | Deposit date: | 2023-02-21 | | Release date: | 2023-04-12 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | A mechanistic model of primer synthesis from catalytic structures of DNA polymerase alpha-primase.
Nat.Struct.Mol.Biol., 31, 2024
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7R7H
 | | Peptidomimetic nitrile warheads as SARS-CoV-2 3CL protease inhibitors | | Descriptor: | 3C-like proteinase, N-[(2S)-1-({(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | | Authors: | Khan, M.B, Lu, J, Young, H.S, Lemieux, M.J. | | Deposit date: | 2021-06-24 | | Release date: | 2021-09-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Peptidomimetic nitrile warheads as SARS-CoV-2 3CL protease inhibitors.
Rsc Med Chem, 12, 2021
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8UT9
 | | CryoEM structure of A/Shanghai/1/2013 H7 in complex with polyclonal Fab from mice immunized with H7 stem nanoparticles-28 days post immunization | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Huang, J, Han, J, Ward, A.B. | | Deposit date: | 2023-10-30 | | Release date: | 2024-05-08 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Eliciting a single amino acid change by vaccination generates antibody protection against group 1 and group 2 influenza A viruses.
Immunity, 57, 2024
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