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PDB: 53012 件

8U0T
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PRD-0038 RBD bound to Rhinolophus alcyone ACE2 (local refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, PRD-0038, ...
著者Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2023-08-29
公開日2023-12-06
最終更新日2023-12-27
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Broad receptor tropism and immunogenicity of a clade 3 sarbecovirus.
Cell Host Microbe, 31, 2023
8F3Y
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Crystal structure of Penicillin Binding Protein 5 (PBP5) Poly-Gly variant penicillin bound form from Enterococcus faecium
分子名称: OPEN FORM - PENICILLIN G, Penicillin binding protein 5, SULFATE ION
著者Schoenle, M.V, D'Andrea, E.D, Choy, M.S, Peti, W, Page, R.
登録日2022-11-10
公開日2023-11-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献The Molecular Basis for Resistance of E. faecium PBP5 to beta-lactam antibiotics
To Be Published
7OEU
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Model of open pentamer of the Haliangium ochraceum encapsulin from symmetry expansion of icosahedral single particle reconstruction
分子名称: Haliangium ochraceum encapsulated ferritin, Linocin_M18 bacteriocin protein
著者Marles-Wright, J, Basle, A, Clarke, D.J, Ross, J.
登録日2021-05-04
公開日2022-02-09
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (2.64 Å)
主引用文献Pore dynamics and asymmetric cargo loading in an encapsulin nanocompartment.
Sci Adv, 8, 2022
5MWK
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Glycoside hydrolase BT_0986
分子名称: BROMIDE ION, CALCIUM ION, Glycoside hydrolase family 2, ...
著者Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J.
登録日2017-01-18
公開日2017-03-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Complex pectin metabolism by gut bacteria reveals novel catalytic functions.
Nature, 544, 2017
8HGM
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Structure of SARS-CoV-2 spike RBD in complex with neutralizing antibody NIV-11
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, NIV-11 Fab heavy chain, NIV-11 Fab light chain, ...
著者Moriyama, S, Anraku, Y, Muranishi, S, Adachi, Y, Kuroda, D, Higuchi, Y, Kotaki, R, Tonouchi, K, Yumoto, K, Suzuki, T, Kita, S, Someya, T, Fukuhara, H, Kuroda, Y, Yamamoto, T, Onodera, T, Fukushi, S, Maeda, K, Nakamura-Uchiyama, F, Hashiguchi, T, Hoshino, A, Maenaka, K, Takahashi, Y.
登録日2022-11-15
公開日2023-10-25
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural delineation and computational design of SARS-CoV-2-neutralizing antibodies against Omicron subvariants.
Nat Commun, 14, 2023
8F3V
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Crystal structure of Penicillin Binding Protein 5 (PBP5) PAPAPAP variant apo form from Enterococcus faecium
分子名称: Penicillin binding protein 5, SULFATE ION
著者Schoenle, M.V, D'Andrea, E.D, Choy, M.S, Peti, W, Page, R.
登録日2022-11-10
公開日2023-11-15
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献The Molecular Basis for Resistance of E. faecium PBP5 to beta-lactam antibiotics
To Be Published
8F7H
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The condensation domain of surfactin A synthetase C variant 18b in space group P212121
分子名称: GLYCEROL, Surfactin synthetase
著者Frota, N.F, Pistofidis, A, Folger, I.B, Hilvert, D, Schmeing, M.
登録日2022-11-18
公開日2023-11-22
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献High-throughput reprogramming of an NRPS condensation domain.
Nat.Chem.Biol., 20, 2024
6XLQ
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Crystal Structure of the Human BTN3A1 Ectodomain in Complex with the CTX-2026 Fab
分子名称: Butyrophilin subfamily 3 member A1, CTX-2026 Heavy Chain, CTX-2026 Light Chain
著者Payne, K.K, Mine, J.A, Biswas, S, Chaurio, R.A, Perales-Puchalt, A, Anadon, C.M, Costich, T.L, Harro, C.M, Walrath, J, Ming, Q, Tcyganov, E, Buras, A.L, Rigolizzo, K.E, Mandal, G, Lajoie, J, Ophir, M, Tchou, J, Marchion, D, Luca, V.C, Bobrowicz, P, McLaughlin, B, Eskiocak, U, Schmidt, M, Cubillos-Ruiz, J.R, Rodriguez, P.C, Gabrilovich, D.I, Conejo-Garcia, J.R.
登録日2020-06-29
公開日2020-09-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献BTN3A1 governs antitumor responses by coordinating alpha beta and gamma delta T cells.
Science, 369, 2020
7SVB
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BU of 7svb by Molmil
APE1 exonuclease substrate complex with 8oxoG opposite C
分子名称: DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(8OG))-3'), DNA (5'-D(*GP*GP*AP*TP*CP*CP*GP*TP*CP*GP*AP*CP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(P*TP*CP*GP*AP*CP*GP*GP*AP*TP*CP*C)-3'), ...
著者Whitaker, A.W, Freudenthal, B.D.
登録日2021-11-18
公開日2022-09-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Processing oxidatively damaged bases at DNA strand breaks by APE1.
Nucleic Acids Res., 50, 2022
8F7I
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BU of 8f7i by Molmil
The condensation domain of surfactin A synthetase C variant 18b in space group P43212
分子名称: GLYCEROL, Surfactin synthetase
著者Frota, N.F, Pistofidis, A, Folger, I.B, Hilvert, D, Schmeing, M.
登録日2022-11-18
公開日2023-11-22
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献High-throughput reprogramming of an NRPS condensation domain.
Nat.Chem.Biol., 20, 2024
8F7G
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BU of 8f7g by Molmil
The condensation domain of surfactin A synthetase C in space group P212121
分子名称: GLYCEROL, Surfactin synthetase
著者Frota, N.F, Pistofidis, A, Folger, I.B, Hilvert, D, Schmeing, T.M.
登録日2022-11-18
公開日2023-11-22
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献High-throughput reprogramming of an NRPS condensation domain.
Nat.Chem.Biol., 20, 2024
7QO3
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BU of 7qo3 by Molmil
Structure of the 26S proteasome-Ubp6 complex in the si state (Core Particle and Lid)
分子名称: 26S proteasome complex subunit SEM1, 26S proteasome regulatory subunit RPN1, 26S proteasome regulatory subunit RPN10, ...
著者Hung, K.Y.S, Klumpe, S, Eisele, M.R, Elsasser, S, Geng, T.T, Cheng, T.C, Joshi, T, Rudack, T, Sakata, E, Finley, D.
登録日2021-12-23
公開日2022-04-13
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (6.1 Å)
主引用文献Allosteric control of Ubp6 and the proteasome via a bidirectional switch.
Nat Commun, 13, 2022
6PCH
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BU of 6pch by Molmil
E. coli 50S ribosome bound to compound 21
分子名称: (3R,4R,5E,10E,12E,14S,26aR)-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-8,9,14,15,24,25,26,26a-octahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone, 23S ribosomal RNA, 50S ribosomal protein L13, ...
著者Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
登録日2019-06-17
公開日2020-06-17
最終更新日2020-10-07
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Synthetic group A streptogramin antibiotics that overcome Vat resistance.
Nature, 586, 2020
7OE2
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BU of 7oe2 by Molmil
Model of closed pentamer of the Haliangium ochraceum encapsulin from symmetry expansion of icosahedral single particle reconstruction
分子名称: Haliangium ochraceum Encapsulated ferritin localisation sequence, Linocin_M18 bacteriocin protein
著者Marles-Wright, J, Basle, A, Clarke, D.J, Ross, J.
登録日2021-05-01
公開日2022-02-09
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (2.4 Å)
主引用文献Pore dynamics and asymmetric cargo loading in an encapsulin nanocompartment.
Sci Adv, 8, 2022
6VHD
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BU of 6vhd by Molmil
FphF, Staphylococcus aureus fluorophosphonate-binding serine hydrolases F, KT129 bound
分子名称: (2~{R})-2-phenylpiperidine-1-carbaldehyde, Esterase family protein
著者Fellner, M, Mace, P.D.
登録日2020-01-09
公開日2020-09-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structural Basis for the Inhibitor and Substrate Specificity of the Unique Fph Serine Hydrolases of Staphylococcus aureus .
Acs Infect Dis., 6, 2020
6YLV
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BU of 6ylv by Molmil
Translation initiation factor 4E in complex with 4-Cl-Bn7GpppG mRNA 5' cap analog
分子名称: 4-Cl-Bn7GpppG mRNA 5' cap analog, Eukaryotic translation initiation factor 4E, GLYCEROL
著者Kubacka, D, Wojcik, R, Baranowski, M.R, Kowalska, J, Jemielity, J.
登録日2020-04-07
公開日2020-06-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.66005659 Å)
主引用文献Novel N7-Arylmethyl Substituted Dinucleotide mRNA 5' cap Analogs: Synthesis and Evaluation as Modulators of Translation.
Pharmaceutics, 13, 2021
6YMM
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BU of 6ymm by Molmil
Crystal structure of the SAM-SAH riboswitch with SAM from space group P312
分子名称: Chains: A, Chains: B,D, S-ADENOSYLMETHIONINE, ...
著者Huang, L, Lilley, D.M.J.
登録日2020-04-08
公開日2020-07-22
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure and ligand-induced folding of the SAM/SAH riboswitch.
Nucleic Acids Res., 48, 2020
8CLV
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Zearalenone lactonase of Rhodococcus erythropolis in complex with hydrolyzed zearalenone
分子名称: 2,4-dihydroxy-6-[(1E,10S)-10-hydroxy-6-oxoundec-1-en-1-yl]benzoic acid, Zearalenone lactonase
著者Puehringer, D.
登録日2023-02-17
公開日2024-02-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Bacterial Lactonases ZenA with Noncanonical Structural Features Hydrolyze the Mycotoxin Zearalenone.
Acs Catalysis, 14, 2024
6N3U
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BU of 6n3u by Molmil
MicroED Structure of the CTD-SP1 fragment of HIV-1 Gag with bound maturation inhibitor Bevirimat.
分子名称: CTD-SP1 fragment of HIV-1 Gag
著者Purdy, M.D, Shi, D, Hattne, J, Chrustowicz, J.
登録日2018-11-16
公開日2018-12-12
最終更新日2023-10-25
実験手法ELECTRON CRYSTALLOGRAPHY (2.9 Å)
主引用文献MicroED structures of HIV-1 Gag CTD-SP1 reveal binding interactions with the maturation inhibitor bevirimat.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7BOO
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BU of 7boo by Molmil
Crystal Structure of Core-mannan synthase A (CmsA/Ktr4) from Aspergillus fumigatus, apo form
分子名称: Alpha-1,2-mannosyltransferase (Ktr4), putative, GLYCEROL, ...
著者Hira, D, Onoue, T, Oka, T.
登録日2020-03-19
公開日2020-09-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural basis for the core-mannan biosynthesis of cell wall fungal-type galactomannan in Aspergillus fumigatus .
J.Biol.Chem., 295, 2020
8CMO
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BU of 8cmo by Molmil
Cryo-EM structure of the Photosystem I - LHCI supercomplex from Coelastrella sp.
分子名称: (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol, (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, ...
著者Fadeeva, M, Klaiman, D, Nelson, N.
登録日2023-02-20
公開日2024-03-06
実験手法ELECTRON MICROSCOPY (2.81 Å)
主引用文献Cryo-EM structure of the Photosystem I - LHCI supercomplex from Coelastrella sp.
To Be Published
5N21
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BU of 5n21 by Molmil
Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand
分子名称: 2-[(2~{S})-1-[3-cyano-7-[(2-oxidanylidene-3,4-dihydro-1~{H}-quinolin-6-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]ethanoic acid, B-cell lymphoma 6 protein, CHLORIDE ION
著者Robb, G, Ferguson, A, Hargreaves, D.
登録日2017-02-06
公開日2017-05-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
8CLQ
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Zearalenone lactonase of Streptomyces coelicoflavus mutant H286Y in complex with hydrolyzed zearalenone
分子名称: 2,4-dihydroxy-6-[(1E,10S)-10-hydroxy-6-oxoundec-1-en-1-yl]benzoic acid, Hydrolase
著者Puehringer, D, Mlynek, G.
登録日2023-02-17
公開日2024-02-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Bacterial Lactonases ZenA with Noncanonical Structural Features Hydrolyze the Mycotoxin Zearalenone.
Acs Catalysis, 14, 2024
8HGL
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SARS-CoV-2 spike in complex with neutralizing antibody NIV-11
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, NIV-11 Fab heavy chain, ...
著者Moriyama, S, Anraku, Y, Muranishi, S, Adachi, Y, Kuroda, D, Higuchi, Y, Kotaki, R, Tonouchi, K, Yumoto, K, Suzuki, T, Kita, S, Someya, T, Fukuhara, H, Kuroda, Y, Yamamoto, T, Onodera, T, Fukushi, S, Maeda, K, Nakamura-Uchiyama, F, Hashiguchi, T, Hoshino, A, Maenaka, K, Takahashi, Y.
登録日2022-11-15
公開日2023-10-25
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural delineation and computational design of SARS-CoV-2-neutralizing antibodies against Omicron subvariants.
Nat Commun, 14, 2023
8TXY
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BU of 8txy by Molmil
X-ray crystal structure of JRD-SIK1/2i-3 bound to a MARK2-SIK2 chimera
分子名称: DI(HYDROXYETHYL)ETHER, N-[(5P,8R)-5-(2-cyano-5-{[(3R)-1-methylpyrrolidin-3-yl]methoxy}pyridin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide, SULFATE ION, ...
著者Raymond, D.D, Lemke, C.T, Shaffer, P.L, Collins, B, Steele, R, Seierstad, M.
登録日2023-08-24
公開日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Identification of highly selective SIK1/2 inhibitors that modulate innate immune activation and suppress intestinal inflammation.
Proc.Natl.Acad.Sci.USA, 121, 2024

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件を2024-07-31に公開中

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