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8FXC
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SARS-CoV-2 BQ.1.1 spike RBD bound to the human ACE2 ectodomain and the S309 neutralizing antibody Fab fragment
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, S309 Heavy chain, ...
著者Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
登録日2023-01-24
公開日2023-10-04
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Neutralization, effector function and immune imprinting of Omicron variants.
Nature, 621, 2023
7AU5
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BU of 7au5 by Molmil
Tubulin-noscapine-analogue-14e complex
分子名称: (5~{R})-5-[(1~{S})-4,5-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-~{N}-ethyl-4-methoxy-7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Yong, C, Devine, S.M, Abel, A.-C, Muthiah, D, Gao, X, Callaghan, R, Capuano, B, Steinmetz, M.O, Prota, A.E, Scammels, P.J.
登録日2020-11-02
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献1,3-Benzodioxole-Modified Noscapine Analogues: Synthesis, Antiproliferative Activity, and Tubulin-Bound Structure.
Chemmedchem, 16, 2021
8FAJ
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BU of 8faj by Molmil
OXA-48-NA-1-157 inhibitor complex
分子名称: (5R)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-5-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, CADMIUM ION, ...
著者Smith, C.A, Stewart, N.K, Toth, M, Vakulenko, S.B.
登録日2022-11-28
公開日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The C5 alpha-Methyl-Substituted Carbapenem NA-1-157 Exhibits Potent Activity against Klebsiella spp. Isolates Producing OXA-48-Type Carbapenemases.
Acs Infect Dis., 9, 2023
7O62
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BU of 7o62 by Molmil
Crystal structure of a 2`-deoxyribosyltransferase from the psychrophilic bacterium Desulfotalea psychrophila.
分子名称: Chains: A,B,C,D, GLYCEROL
著者Mancheno, J.M.
登録日2021-04-09
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Biochemical and structural studies of two tetrameric nucleoside 2'-deoxyribosyltransferases from psychrophilic and mesophilic bacteria: Insights into cold-adaptation.
Int.J.Biol.Macromol., 192, 2021
6YE0
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BU of 6ye0 by Molmil
E.coli's Putrescine receptor PotF complexed with Putrescine
分子名称: (2R)-1-methoxypropan-2-amine, (2~{R})-1-[(2~{R})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-amine, (2~{S})-1-(2-methoxyethoxy)propan-2-amine, ...
著者Shanmugaratnam, S, Kroeger, P, Hocker, B.
登録日2020-03-23
公開日2021-01-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献A comprehensive binding study illustrates ligand recognition in the periplasmic binding protein PotF.
Structure, 29, 2021
6T0B
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BU of 6t0b by Molmil
The III2-IV(5B)2 respiratory supercomplex from S. cerevisiae
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, CALCIUM ION, CARDIOLIPIN, ...
著者Marechal, A, Pinotsis, N, Hartley, A.
登録日2019-10-02
公開日2020-04-22
最終更新日2020-05-06
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Rcf2 revealed in cryo-EM structures of hypoxic isoforms of mature mitochondrial III-IV supercomplexes.
Proc.Natl.Acad.Sci.USA, 117, 2020
6T15
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BU of 6t15 by Molmil
The III2-IV(5B)1 respiratory supercomplex from S. cerevisiae
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, CARDIOLIPIN, COPPER (II) ION, ...
著者Marechal, A, Pinotsis, N, Hartley, A.
登録日2019-10-03
公開日2020-04-22
最終更新日2020-05-06
実験手法ELECTRON MICROSCOPY (3.29 Å)
主引用文献Rcf2 revealed in cryo-EM structures of hypoxic isoforms of mature mitochondrial III-IV supercomplexes.
Proc.Natl.Acad.Sci.USA, 117, 2020
6YMD
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BU of 6ymd by Molmil
Crystal structure of serine hydroxymethyltransferase from Aphanothece halophytica in the covalent complex with malonate
分子名称: 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, MALONATE ION, ...
著者Ruszkowski, M, Sekula, B, Nogues, I, Tramonti, A, Angelaccio, S, Contestabile, R.
登録日2020-04-08
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Structural and kinetic properties of serine hydroxymethyltransferase from the halophytic cyanobacterium Aphanothece halophytica provide a rationale for salt tolerance.
Int.J.Biol.Macromol., 159, 2020
6UWG
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BU of 6uwg by Molmil
Engineered variant of I-OnuI meganuclease with improved thermostability and E178D mutation at catalytic site
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, DNA (26-MER), ...
著者Werther, R, Stoddard, B.L.
登録日2019-11-05
公開日2019-12-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Optimization of Protein Thermostability and Exploitation of Recognition Behavior to Engineer Altered Protein-DNA Recognition.
Structure, 28, 2020
6Y0J
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Cytochrome c in complex with phosphonato-calix[6]arene and sulfonato-calix[8]arene
分子名称: Cytochrome c iso-1, HEME C, phosphonato-calix[6]arene, ...
著者Engilberge, S, Rennie, M.L, Crowley, P.B.
登録日2020-02-07
公開日2021-02-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Protein-macrocycle framework engineering: supramolecular copolymerisation with two disparate calixarenes
Supramolecular Chemistry, 2021
6OMP
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BU of 6omp by Molmil
Crystal structure of apo PtmU3
分子名称: ACETATE ION, MANGANESE (II) ION, PtmU3
著者Liu, Y.C, Dong, L.B, Shen, B.
登録日2019-04-19
公開日2019-07-24
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Characterization and Crystal Structure of a Nonheme Diiron Monooxygenase Involved in Platensimycin and Platencin Biosynthesis.
J.Am.Chem.Soc., 141, 2019
6YMQ
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BU of 6ymq by Molmil
TREM2 extracellular domain (19-131) in complex with single-chain variable 4 (scFv-4)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Single-chain variable 4, ...
著者Szykowska, A, Preger, C, Scacioc, A, Mukhopadhyay, S.M.M, McKinley, G, Graslund, S, Wigren, E, Persson, H, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Di Daniel, E, Davis, J.B, Burgess-Brown, N, Bullock, A.
登録日2020-04-09
公開日2021-02-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.07 Å)
主引用文献Selection and structural characterization of anti-TREM2 scFvs that reduce levels of shed ectodomain.
Structure, 29, 2021
6PWG
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BU of 6pwg by Molmil
Ewingella americana HopBF1 kinase bound to AMP-PNP
分子名称: 1,2-ETHANEDIOL, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Type III effector HopBF1
著者Tomchick, D.R, Tagliabracci, V.S, Park, B.C.
登録日2019-07-23
公開日2019-09-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献A Bacterial Effector Mimics a Host HSP90 Client to Undermine Immunity.
Cell, 179, 2019
6YI5
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BU of 6yi5 by Molmil
In-situ structure of the trimeric HEF from influenza C by flexible fitting into a cryo-ET map.
分子名称: Hemagglutinin-esterase-fusion glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Halldorsson, S, Rosenthal, P.B.
登録日2020-03-31
公開日2021-03-24
最終更新日2021-03-31
実験手法ELECTRON MICROSCOPY (9.1 Å)
主引用文献In situ structure and organization of the influenza C virus surface glycoprotein.
Nat Commun, 12, 2021
8FMU
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BU of 8fmu by Molmil
Crystal structure of human Brachyury G177D variant in complex with SJF-4601
分子名称: N-(3-chloro-4-fluorophenyl)-3-[4-(dimethylamino)butanamido]-4-methoxybenzamide, T-box transcription factor T
著者Bebenek, A, Linhares, B, Jaime-Figueroa, S, Butrin, A, Crews, C.
登録日2022-12-24
公開日2024-02-28
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Discovery and Development of the First Selective Brachyury Degrader
To Be Published
6YAV
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BU of 6yav by Molmil
Structure of FeSII (Shethna) protein from Azotobacter vinelandii
分子名称: Dimeric (2Fe-2S) protein, FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, ...
著者Kabasakal, B.V, Kung, W.K.A, Cotton, C.A.R, Lieber, L, McFarlane, C.R, Murray, J.W.
登録日2020-03-13
公開日2021-03-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure of FeSII (Shethna) protein from Azotobacter vinelandii
To Be Published
6YGN
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BU of 6ygn by Molmil
Titin kinase and its flanking domains
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Titin
著者Fleming, J.R, Franke, B, Bogomolovas, J, Mayans, O.
登録日2020-03-27
公開日2021-04-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Titin kinase ubiquitination aligns autophagy receptors with mechanical signals in the sarcomere.
Embo Rep., 22, 2021
8CSF
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BU of 8csf by Molmil
WbbB D232C-Kdo adduct + alpha-Rha(1,3)GlcNAc ternary complex
分子名称: 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, CYTIDINE-5'-MONOPHOSPHATE, N-acetyl glucosaminyl transferase, ...
著者Forrester, T.J.B, Kimber, M.S.
登録日2022-05-12
公開日2022-11-09
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The retaining beta-Kdo glycosyltransferase WbbB uses a double-displacement mechanism with an intermediate adduct rearrangement step.
Nat Commun, 13, 2022
6YK0
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BU of 6yk0 by Molmil
Crystal structure of mouse pyridoxal kinase in complex with ATP-gamma-S
分子名称: 1,2-ETHANEDIOL, GLYCEROL, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
著者Kasaragod, V.B, Schindelin, H.
登録日2020-04-05
公開日2021-04-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Pyridoxal kinase inhibition by artemisinins down-regulates inhibitory neurotransmission.
Proc.Natl.Acad.Sci.USA, 117, 2020
7QBR
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BU of 7qbr by Molmil
Human butyrylcholinesterase in complex with (Z)-N-tert-butyl-1-(8-(3-(4-(prop-2-yn-1-yl)piperazin-1-yl)propoxy)quinolin-2-yl)methanimine oxide
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Denic, M, Chioua, M, Knez, D, Gobec, S, Nachon, F, Marco-Contelles, J.L, Brazzolotto, X.
登録日2021-11-19
公開日2022-11-30
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献8-Hydroxyquinolylnitrones as multifunctional ligands for the therapy of neurodegenerative diseases.
Acta Pharm Sin B, 13, 2023
7QBQ
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BU of 7qbq by Molmil
Human butyrylcholinesterase in complex with (Z)-N-benzyl-1-(8-hydroxyquinolin-2-yl)methanimine oxide
分子名称: 1-(8-oxidanylquinolin-2-yl)-N-(phenylmethyl)methanimine oxide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Denic, M, Chioua, M, Knez, D, Gobec, S, Nachon, F, Marco-Contelles, J.L, Brazzolotto, X.
登録日2021-11-19
公開日2022-11-30
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献8-Hydroxyquinolylnitrones as multifunctional ligands for the therapy of neurodegenerative diseases.
Acta Pharm Sin B, 13, 2023
6OT4
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BU of 6ot4 by Molmil
Bimetallic dodecameric cage design 2 (BMC2) from cytochrome cb562
分子名称: ACETOHYDROXAMIC ACID, FE (III) ION, HEME C, ...
著者Golub, E, Esselborn, J, Bailey, J.B, Tezcan, F.A.
登録日2019-05-02
公開日2020-01-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Constructing protein polyhedra via orthogonal chemical interactions.
Nature, 578, 2020
7C0J
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BU of 7c0j by Molmil
Crystal structure of chimeric mutant of GH5 in complex with Z-DNA
分子名称: DNA (5'-D(*TP*CP*GP*CP*GP*CP*G)-3'), Histone H5,Double-stranded RNA-specific adenosine deaminase
著者Choi, H.J, Park, C.H.
登録日2020-05-01
公開日2020-12-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Dual conformational recognition by Z-DNA binding protein is important for the B-Z transition process.
Nucleic Acids Res., 48, 2020
8G2X
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BU of 8g2x by Molmil
Horse liver alcohol dehydrogense His-51-Gln form complexed with NAD+ and pyrazole
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Alcohol dehydrogenase E chain, ...
著者Plapp, B.V.
登録日2023-02-06
公開日2023-02-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Histidine-51 facilitates deprotonation of the zinc-bound ligand during catalysis by horse liver alcohol dehydrogenase
To Be Published
6QF7
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Crystal structures of the recombinant beta-Factor XIIa protease with bound Thr-Arg and Pro-Arg substrate mimetics
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, Coagulation factor XII, ...
著者Pathak, M, Mannal, R, Li, C, Bubacarr, G.K, Badraldin, K.H, Belviso, B.D, Camila, R.B, Dreveny, I, Fischer, P.M, Dekker, L.V, Oliva, M.L.V, Emsley, J.
登録日2019-01-09
公開日2019-06-05
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Crystal structures of the recombinant beta-factor XIIa protease with bound Thr-Arg and Pro-Arg substrate mimetics.
Acta Crystallogr D Struct Biol, 75, 2019

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件を2024-08-14に公開中

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