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PDB: 89035 results

8FQO
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ADC-33 in complex with boronic acid transition state inhibitor MB076
Descriptor: 1-[(2R)-2-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-2-boronoethyl]-1H-1,2,3-triazole-4-carboxylic acid, Beta-lactamase, PHOSPHATE ION
Authors:Powers, R.A, Wallar, B.J, June, C.M, Fish, E.R.
Deposit date:2023-01-06
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Synthesis of a Novel Boronic Acid Transition State Inhibitor, MB076: A Heterocyclic Triazole Effectively Inhibits Acinetobacter -Derived Cephalosporinase Variants with an Expanded-Substrate Spectrum.
J.Med.Chem., 66, 2023
8FQN
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apo ADC-33 beta-lactamase
Descriptor: Beta-lactamase, GLYCINE, PHOSPHATE ION
Authors:Powers, R.A, Wallar, B.J, June, C.M, Fish, E.R.
Deposit date:2023-01-06
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.256 Å)
Cite:Synthesis of a Novel Boronic Acid Transition State Inhibitor, MB076: A Heterocyclic Triazole Effectively Inhibits Acinetobacter -Derived Cephalosporinase Variants with an Expanded-Substrate Spectrum.
J.Med.Chem., 66, 2023
7OIN
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Crystal structure of LSSmScarlet - a genetically encoded red fluorescent protein with a large Stokes shift
Descriptor: LSSmScarlet - Genetically Encoded Red Fluorescent Proteins with a Large Stokes Shift, SODIUM ION, SULFATE ION
Authors:Boyko, K.M, Nikolaeva, A.Y, Dorovatovskii, P.V, Subach, O.M, Vlaskina, A.V, Agapova, Y.K, Ivashkina, O.I, Popov, V.O, Subach, F.V.
Deposit date:2021-05-12
Release date:2022-02-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:LSSmScarlet, dCyRFP2s, dCyOFP2s and CRISPRed2s, Genetically Encoded Red Fluorescent Proteins with a Large Stokes Shift.
Int J Mol Sci, 22, 2021
8FQP
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apo ADC-162 beta-lactamase
Descriptor: Beta-lactamase, GLYCINE, PHOSPHATE ION
Authors:Powers, R.A, Wallar, B.J, June, C.M, Fernando, M.C.
Deposit date:2023-01-06
Release date:2023-07-05
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.419 Å)
Cite:Synthesis of a Novel Boronic Acid Transition State Inhibitor, MB076: A Heterocyclic Triazole Effectively Inhibits Acinetobacter -Derived Cephalosporinase Variants with an Expanded-Substrate Spectrum.
J.Med.Chem., 66, 2023
7Q71
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The crystallographic structure of the Ligand Binding domain of the NR7 nuclear receptor from the amphioxus Branchiostoma lanceolatum
Descriptor: CHLORIDE ION, Nuclear hormone receptor 7, PHOSPHATE ION
Authors:Billas, I.M.L, McEwen, A.G, Hazemann, I, Moras, D, Laudet, V.
Deposit date:2021-11-09
Release date:2022-09-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:A novel nuclear receptor subfamily enlightens the origin of heterodimerization.
Bmc Biol., 20, 2022
7QIW
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Specific features and methylation sites of a plant ribosome. 60S ribosomal subunit.
Descriptor: 25S rRNA, 5.8S rRNA, 50S ribosomal protein L22, ...
Authors:Cottilli, P, Itoh, Y, Amunts, A.
Deposit date:2021-12-16
Release date:2022-07-13
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.35 Å)
Cite:Cryo-EM structure and rRNA modification sites of a plant ribosome.
Plant Commun., 3, 2022
8FE2
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BU of 8fe2 by Molmil
Structure of J-PKAc chimera complexed with Aplithianine A
Descriptor: 6-[(6M)-6-(1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-9H-purine, DnaJ homolog subfamily B member 1, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Du, L, Wilson, B.A.P, Li, N, Dalilian, M, Wang, D, Martinez Fiesco, J.A, Smith, E.A, Wamiru, A, Goncharova, E.I, Zhang, P, O'Keefe, B.R.
Deposit date:2022-12-05
Release date:2023-10-18
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Discovery and Synthesis of a Naturally Derived Protein Kinase Inhibitor that Selectively Inhibits Distinct Classes of Serine/Threonine Kinases.
J.Nat.Prod., 86, 2023
8FE5
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Structure of J-PKAc chimera complexed with Aplithianine B
Descriptor: 6-[(6P)-6-(1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-7,9-dihydro-8H-purin-8-one, DnaJ homolog subfamily B member 1,cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Du, L, Wilson, B.A.P, Li, N, Martinez Fiesco, J.A, Dalilian, M, Wang, D, Smith, E.A, Wamiru, A, Goncharova, E.I, Zhang, P, O'Keefe, B.R.
Deposit date:2022-12-05
Release date:2023-10-18
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Discovery and Synthesis of a Naturally Derived Protein Kinase Inhibitor that Selectively Inhibits Distinct Classes of Serine/Threonine Kinases.
J.Nat.Prod., 86, 2023
8FZW
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BU of 8fzw by Molmil
Thaumatin crystallized in cyclic olefin copolymer-based microfluidic chips
Descriptor: L(+)-TARTARIC ACID, Thaumatin I
Authors:Liu, Z, Gu, K, Shelby, M.L, Gilbile, D, Lyubimov, A.Y, Russi, S, Cohen, A.E, Coleman, M.A, Frank, M, Kuhl, T.L.
Deposit date:2023-01-30
Release date:2023-10-18
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:A user-friendly plug-and-play cyclic olefin copolymer-based microfluidic chip for room-temperature, fixed-target serial crystallography.
Acta Crystallogr D Struct Biol, 79, 2023
8FDO
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BU of 8fdo by Molmil
SARS-CoV-2 fusion peptide epitope scaffold FP15 bound to DH1058
Descriptor: DH1058 Heavy chain, DH1058 Light chain, FP15
Authors:Kapingidza, A.B, Marston, D.J, Wrapp, D, Winters, K, Azoitei, M.L.
Deposit date:2022-12-04
Release date:2023-10-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Engineered immunogens to elicit antibodies against conserved coronavirus epitopes.
Nat Commun, 14, 2023
7NYQ
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BU of 7nyq by Molmil
Crystal structure of the Mei-P26 NHL domain
Descriptor: Meiotic P26, isoform C
Authors:Salerno-Kochan, A, Gaik, M, Medenbach, J, Glatt, S.
Deposit date:2021-03-23
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Molecular insights into RNA recognition and gene regulation by the TRIM-NHL protein Mei-P26.
Life Sci Alliance, 5, 2022
8PFR
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BU of 8pfr by Molmil
Mouse RPL39L integrated into the yeast 60S ribosomal subunit
Descriptor: 25S rRNA, 5.8S rRNA, 5S rRNA, ...
Authors:Rabl, J, Banerjee, A, Boehringer, D, Zavolan, M.
Deposit date:2023-06-16
Release date:2024-06-26
Method:ELECTRON MICROSCOPY (2.15 Å)
Cite:Mouse RPL39L integrated into the yeast 60S ribosomal subunit
To Be Published
5MY1
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BU of 5my1 by Molmil
E. coli expressome
Descriptor: 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Kohler, R, Mooney, R.A, Mills, D.J, Kostrewa, D, Landick, R, Cramer, P.
Deposit date:2017-01-25
Release date:2017-04-26
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (7.6 Å)
Cite:Architecture of a transcribing-translating expressome.
Science, 356, 2017
8F8M
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BU of 8f8m by Molmil
LRH-1 bound to small molecule Tet and fragment of coactivator Tif2
Descriptor: (1~{R},3~{a}~{R},6~{a}~{R})-4-phenyl-3~{a}-(1-phenylethenyl)-5-[9-(1~{H}-1,2,3,4-tetrazol-5-yl)nonyl]-2,3,6,6~{a}-tetrahydro-1~{H}-pentalen-1-ol, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2
Authors:Cato, M.L, Ortlund, E.A.
Deposit date:2022-11-22
Release date:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Isosteric improvements to liver receptor homolog-1 small molecule modulators
To Be Published
8Q4F
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BU of 8q4f by Molmil
Structure of arbekacin bound Escherichia coli 70S ribosome
Descriptor: 16S rRNA, 23S rRNA, 50S ribosomal protein L16, ...
Authors:Majumdar, S, Parajuli, N.P, Ge, X, Emmerich, A, Sanyal, S.
Deposit date:2023-08-06
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure of arbekacin bound Escherichia coli 70S ribosome
To be published
7QGW
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BU of 7qgw by Molmil
Sulfonated Calpeptin is a promising drug candidate against SARS-CoV-2 infections
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Calpeptin, ...
Authors:Loboda, J, Karnicar, K, Lindic, N, Usenik, A, Lieske, J, Meents, A, Guenther, S, Reinke, P.Y.A, Falke, S, Ewert, W, Turk, D.
Deposit date:2021-12-10
Release date:2022-12-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023
7QKD
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BU of 7qkd by Molmil
Crystal structure of human Cathepsin L in complex with covalently bound MG132
Descriptor: ACETATE ION, Cathepsin L, DI(HYDROXYETHYL)ETHER, ...
Authors:Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A.
Deposit date:2021-12-17
Release date:2022-12-28
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 2024
5NCO
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BU of 5nco by Molmil
Quaternary complex between SRP, SR, and SecYEG bound to the translating ribosome
Descriptor: 23S rRNA, 4.5S SRP RNA (Ffs), 50S ribosomal protein L10, ...
Authors:Jomaa, A, Hwang Fu, Y, Boerhinger, D, Leibundgut, M, Shan, S.O, Ban, N.
Deposit date:2017-03-06
Release date:2017-05-24
Last modified:2018-03-28
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Structure of the quaternary complex between SRP, SR, and translocon bound to the translating ribosome.
Nat Commun, 8, 2017
7P77
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SARS-CoV-2 spike protein in complex with sybody#15 and sybody#68 in a 3up conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(5-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Walter, J.D, Hutter, C.A.J, Garaeva, A.A, Scherer, M, Zimmermann, I, Wyss, M, Rheinberger, J, Ruedin, Y, Earp, J.C, Egloff, P, Sorgenfrei, M, Huerlimann, L.M, Gonda, I, Meier, G, Remm, S, Thavarasah, S, Zimmer, G, Slotboom, D.J, Paulino, C, Plattet, P, Seeger, M.A.
Deposit date:2021-07-19
Release date:2021-08-04
Last modified:2022-04-20
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Biparatopic sybodies neutralize SARS-CoV-2 variants of concern and mitigate drug resistance.
Embo Rep., 23, 2022
7P7A
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BU of 7p7a by Molmil
SARS-CoV-2 spike protein in complex with sybody#68 in a 2up/1flexible conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(5-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Walter, J.D, Hutter, C.A.J, Garaeva, A.A, Scherer, M, Zimmermann, I, Wyss, M, Rheinberger, J, Ruedin, Y, Earp, J.C, Egloff, P, Sorgenfrei, M, Huerlimann, L.M, Gonda, I, Meier, G, Remm, S, Thavarasah, S, Zimmer, G, Slotboom, D.J, Paulino, C, Plattet, P, Seeger, M.A.
Deposit date:2021-07-19
Release date:2021-08-04
Last modified:2022-04-20
Method:ELECTRON MICROSCOPY (4.76 Å)
Cite:Biparatopic sybodies neutralize SARS-CoV-2 variants of concern and mitigate drug resistance.
Embo Rep., 23, 2022
7P78
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SARS-CoV-2 spike protein in complex with sybody#15 and sybody#68 in a 1up/1up-out/1down conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(5-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Walter, J.D, Hutter, C.A.J, Garaeva, A.A, Scherer, M, Zimmermann, I, Wyss, M, Rheinberger, J, Ruedin, Y, Earp, J.C, Egloff, P, Sorgenfrei, M, Huerlimann, L.M, Gonda, I, Meier, G, Remm, S, Thavarasah, S, Zimmer, G, Slotboom, D.J, Paulino, C, Plattet, P, Seeger, M.A.
Deposit date:2021-07-19
Release date:2021-08-04
Last modified:2022-04-20
Method:ELECTRON MICROSCOPY (3.32 Å)
Cite:Biparatopic sybodies neutralize SARS-CoV-2 variants of concern and mitigate drug resistance.
Embo Rep., 23, 2022
7P79
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SARS-CoV-2 spike protein in complex with sybodyb#15 in a 1up/1up-out/1down conformation.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(5-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Walter, J.D, Hutter, C.A.J, Garaeva, A.A, Scherer, M, Zimmermann, I, Wyss, M, Rheinberger, J, Ruedin, Y, Earp, J.C, Egloff, P, Sorgenfrei, M, Huerlimann, L.M, Gonda, I, Meier, G, Remm, S, Thavarasah, S, Zimmer, G, Slotboom, D.J, Paulino, C, Plattet, P, Seeger, M.A.
Deposit date:2021-07-19
Release date:2021-08-04
Last modified:2022-04-20
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Biparatopic sybodies neutralize SARS-CoV-2 variants of concern and mitigate drug resistance.
Embo Rep., 23, 2022
7P7B
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BU of 7p7b by Molmil
SARS-CoV-2 spike protein in complex with sybody no68 in a 1up/2down conformation
Descriptor: Spike glycoprotein
Authors:Walter, J.D, Hutter, C.A.J, Garaeva, A.A, Scherer, M, Zimmermann, I, Wyss, M, Rheinberger, J, Ruedin, Y, Earp, J.C, Egloff, P, Sorgenfrei, M, Huerlimann, L.M, Gonda, I, Meier, G, Remm, S, Thavarasah, S, Zimmer, G, Slotboom, D.J, Paulino, C, Plattet, P, Seeger, M.A.
Deposit date:2021-07-19
Release date:2021-08-04
Last modified:2022-04-20
Method:ELECTRON MICROSCOPY (3.13 Å)
Cite:Biparatopic sybodies neutralize SARS-CoV-2 variants of concern and mitigate drug resistance.
Embo Rep., 23, 2022
7P68
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BU of 7p68 by Molmil
Globular glial tauopathy type 3 tau filament
Descriptor: Microtubule-associated protein tau
Authors:Shi, Y, Zhang, W, Yang, Y, Murzin, A.G, Falcon, B, Kotecha, A, van Beers, M, Tarutani, A, Kametani, F, Garringer, H.J, Vidal, R, Hallinan, G.I, Lashley, T, Saito, Y, Murayama, S, Yoshida, M, Tanaka, H, Kakita, A, Ikeuchi, T, Robinson, A.C, Mann, D.M.A, Kovacs, G.G, Revesz, T, Ghetti, B, Hasegawa, M, Goedert, M, Scheres, S.H.W.
Deposit date:2021-07-15
Release date:2021-09-15
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structure-based classification of tauopathies.
Nature, 598, 2021
6PPF
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BU of 6ppf by Molmil
Bacterial 45SRbgA ribosomal particle class B
Descriptor: 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
Authors:Ortega, J, Seffouh, A, Jain, N, Jahagirdar, D, Basu, K, Razi, A, Ni, X, Guarne, A, Britton, R.A.
Deposit date:2019-07-06
Release date:2019-09-18
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural consequences of the interaction of RbgA with a 50S ribosomal subunit assembly intermediate.
Nucleic Acids Res., 47, 2019

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