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8EF8
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Staphylococcus aureus ClpP Y63W in complex with compound 3471
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, (5S,6S,9aS)-N-[(4-fluorophenyl)methyl]-6-methyl-8-[(naphthalen-1-yl)methyl]-4,7-dioxohexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide, ATP-dependent Clp protease proteolytic subunit
著者Lee, R.E, Griffith, E.C.
登録日2022-09-08
公開日2023-07-19
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Development of a high throughput and site specific, fluorescent polarization assay to screen for activators of Caseinolytic Protease P leads to the discovery of synthetically tractable new activator class
To Be Published
8ETS
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BU of 8ets by Molmil
Class1 of the INO80-Hexasome complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin-related protein 5, Chromatin-remodeling ATPase INO80, ...
著者Wu, H, Munoz, E, Gourdet, M, Cheng, Y.F, Narlikar, G.
登録日2022-10-17
公開日2023-07-19
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献Reorientation of INO80 on hexasomes reveals basis for mechanistic versatility.
Science, 381, 2023
8STS
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BU of 8sts by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (Y181C, V106A) varient in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)-4-fluorophenoxy)-7-fluoro-2-naphthonitrile (JLJ636), a non-nucleoside inhibitor
分子名称: 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-7-fluoronaphthalene-2-carbonitrile, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ...
著者Hollander, K, Jorgensen, W.L, Anderson, K.S.
登録日2023-05-11
公開日2023-11-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.02 Å)
主引用文献Exploring novel HIV-1 reverse transcriptase inhibitors with drug-resistant mutants: A double mutant surprise.
Protein Sci., 32, 2023
8STU
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BU of 8stu by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (Y181C, V106A) variant in Complex with 8-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)-4-fluorophenoxy)-6-fluoroindolizine-2-carbonitrile (JLJ578), a non-nucleoside inhibitor
分子名称: 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-6-fluoroindolizine-2-carbonitrile, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ...
著者Hollander, K, Jorgensen, W.L, Anderson, K.S.
登録日2023-05-11
公開日2023-11-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Exploring novel HIV-1 reverse transcriptase inhibitors with drug-resistant mutants: A double mutant surprise.
Protein Sci., 32, 2023
8ETU
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BU of 8etu by Molmil
Class2 of the INO80-Hexasome complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin-related protein 5, Chromatin-remodeling ATPase INO80, ...
著者Wu, H, Munoz, E, Gourdet, M, Cheng, Y.F, Narlikar, G.
登録日2022-10-17
公開日2023-07-19
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Reorientation of INO80 on hexasomes reveals basis for mechanistic versatility.
Science, 381, 2023
8ETW
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BU of 8etw by Molmil
Class3 of INO80-Hexasome complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin-related protein 5, Chromatin-remodeling ATPase INO80, ...
著者Wu, H, Munoz, E, Gourdet, M, Narlikar, G, Cheng, Y.F.
登録日2022-10-17
公開日2023-07-19
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.64 Å)
主引用文献Reorientation of INO80 on hexasomes reveals basis for mechanistic versatility.
Science, 381, 2023
4LUH
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BU of 4luh by Molmil
Complex of ovine serum albumin with 3,5-diiodosalicylic acid
分子名称: (2R)-2-{[(2R)-2-{[(2S)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propyl]oxy}propan-1-ol, (2S)-2-hydroxybutanedioic acid, 2-HYDROXY-3,5-DIIODO-BENZOIC ACID, ...
著者Bujacz, A, Talaj, J.A, Pietrzyk, A.J, Bujacz, G.
登録日2013-07-25
公開日2014-09-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of ovine serum albumin and its complex with 3,5-diiodosalicylic acid
To be Published
8STV
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BU of 8stv by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (Y181C, V106A) variant in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-2-naphthonitrile (JLJ600), a non-nucleoside inhibitor
分子名称: 1,2-ETHANEDIOL, 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}naphthalene-2-carbonitrile, MAGNESIUM ION, ...
著者Hollander, K, Jorgensen, W.L, Anderson, K.S.
登録日2023-05-11
公開日2023-11-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Exploring novel HIV-1 reverse transcriptase inhibitors with drug-resistant mutants: A double mutant surprise.
Protein Sci., 32, 2023
8EOH
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BU of 8eoh by Molmil
crystal structure of human Cytochrome P450 8B1 in complex with a C12-Pyridine Containing Steroid
分子名称: 12-(pyridin-3-yl)-8alpha,10alpha,13alpha,14beta-androsta-4,11-diene-3,17-dione, 7-alpha-hydroxycholest-4-en-3-one 12-alpha-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE
著者Liu, J, Scott, E.E.
登録日2022-10-03
公開日2023-08-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Pyridine-containing substrate analogs are restricted from accessing the human cytochrome P450 8B1 active site by tryptophan 281.
J.Biol.Chem., 299, 2023
6EFX
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BU of 6efx by Molmil
Crystal structure of a YjeF family protein from Cryptococcus neoformans var. grubii serotype A in complex with AMPPNP
分子名称: 1,2-ETHANEDIOL, ATP-dependent (S)-NAD(P)H-hydrate dehydratase, MAGNESIUM ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2018-08-17
公開日2018-09-05
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of a YjeF family protein from Cryptococcus neoformans var. grubii serotype A in complex with AMPPNP
TO BE PUBLISHED
6E8S
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BU of 6e8s by Molmil
Structure of the iMango-III aptamer bound to TO1-Biotin
分子名称: 4-[(3-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-1,3-benzothiazol-3-ium-2-yl)methyl]-1-methylquinolin-1-ium, MAGNESIUM ION, POTASSIUM ION, ...
著者Trachman, R.J, Ferre-D'Amare, A.R.
登録日2018-07-31
公開日2019-04-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure and functional reselection of the Mango-III fluorogenic RNA aptamer.
Nat. Chem. Biol., 15, 2019
6EGZ
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BU of 6egz by Molmil
Crystal structure of cytochrome c in complex with di-PEGylated sulfonatocalix[4]arene
分子名称: Cytochrome c iso-1, HEME C, SODIUM ION, ...
著者Mummidivarapu, V.V.S, Rennie, M.L, Crowley, P.B.
登録日2017-09-12
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Noncovalent PEGylation via Sulfonatocalix[4]arene-A Crystallographic Proof.
Bioconjug.Chem., 29, 2018
8EIH
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BU of 8eih by Molmil
Cryo-EM structure of human DNMT3B homo-tetramer (form I)
分子名称: DNA (cytosine-5)-methyltransferase 3B, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION
著者Lu, J.W, Song, J.K.
登録日2022-09-15
公開日2023-09-20
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献Structural basis for the allosteric regulation and dynamic assembly of DNMT3B.
Nucleic Acids Res., 51, 2023
8SPE
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BU of 8spe by Molmil
Crystal structure of Bax core domain BH3-groove dimer - tetrameric fraction P31
分子名称: 1,2-ETHANEDIOL, Apoptosis regulator BAX, DI(HYDROXYETHYL)ETHER, ...
著者Miller, M.S, Cowan, A.D, Colman, P.M, Czabotar, P.E.
登録日2023-05-03
公開日2023-12-27
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 291, 2024
8EII
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BU of 8eii by Molmil
Cryo-EM structure of human DNMT3B homo-tetramer (form II)
分子名称: DNA (cytosine-5)-methyltransferase 3B, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION
著者Lu, J.W, Song, J.K.
登録日2022-09-15
公開日2023-09-20
最終更新日2023-12-20
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Structural basis for the allosteric regulation and dynamic assembly of DNMT3B.
Nucleic Acids Res., 51, 2023
6EHN
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BU of 6ehn by Molmil
Structural insight into a promiscuous CE15 esterase from the marine bacterial metagenome
分子名称: Carbohydrate esterase MZ0003, GLYCEROL
著者Helland, R, De Santi, C, Gani, O, Williamson, A.K.
登録日2017-09-13
公開日2018-03-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural insight into a CE15 esterase from the marine bacterial metagenome.
Sci Rep, 7, 2017
8SH2
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BU of 8sh2 by Molmil
KLHDC2 in complex with EloB and EloC
分子名称: Elongin-B, Elongin-C, Kelch domain-containing protein 2
著者Digianantonio, K.M, Bekes, M.
登録日2023-04-13
公開日2024-01-03
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (3.74 Å)
主引用文献Co-opting the E3 ligase KLHDC2 for targeted protein degradation by small molecules.
Nat.Struct.Mol.Biol., 31, 2024
6E9K
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BU of 6e9k by Molmil
The crystal structure of bovine ultralong antibody BOV-5
分子名称: Bovine ultralong antibody BOV-5 heavy chain, IGL@ protein
著者Dong, J, Crowe, J.E.
登録日2018-08-01
公開日2019-05-01
実験手法X-RAY DIFFRACTION (2.193 Å)
主引用文献Structural Diversity of Ultralong CDRH3s in Seven Bovine Antibody Heavy Chains.
Front Immunol, 10, 2019
8EIK
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BU of 8eik by Molmil
Cryo-EM structure of human DNMT3B homo-hexamer
分子名称: DNA (cytosine-5)-methyltransferase 3B, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION
著者Lu, J.W, Song, J.K.
登録日2022-09-15
公開日2023-09-20
最終更新日2023-12-20
実験手法ELECTRON MICROSCOPY (3.19 Å)
主引用文献Structural basis for the allosteric regulation and dynamic assembly of DNMT3B.
Nucleic Acids Res., 51, 2023
8ENR
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BU of 8enr by Molmil
Cryo-EM structure of E. coli CsgA fibril (260 pixel box size)
分子名称: Major curlin subunit
著者Bu, F, Liu, B.
登録日2022-09-30
公開日2023-10-04
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural insight into Escherichia coli CsgA amyloid fibril assembly.
Mbio, 15, 2024
7NL8
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BU of 7nl8 by Molmil
Crystal structure of a shortened IpgC variant in complex with 3-methylbenzohydrazide
分子名称: 3-methylbenzohydrazide, CHLORIDE ION, Chaperone protein IpgC, ...
著者Gardonyi, M, Heine, A, Klebe, G.
登録日2021-02-22
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Crystal structure of a shortened IpgC variant in complex with 3-methylbenzohydrazide
To be published
6EJ5
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BU of 6ej5 by Molmil
A conserved structural element in the RNA helicase UPF1 regulates its catalytic activity in an isoform-specific manner
分子名称: Regulator of nonsense transcripts 1
著者Gowravaram, M, Bonneau, F, Maciej, V.D, Chakrabarti, S.
登録日2017-09-20
公開日2018-01-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.34 Å)
主引用文献A conserved structural element in the RNA helicase UPF1 regulates its catalytic activity in an isoform-specific manner.
Nucleic Acids Res., 46, 2018
8SXQ
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BU of 8sxq by Molmil
Crystal structure of Sel-1 repeat protein LceB from Legionella pneumophila
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, SEL-1 repeat protein
著者Penner, T.V, Prehna, G.
登録日2023-05-23
公開日2024-01-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural characterization of the Sel1-like repeat protein LceB from Legionella pneumophila.
Protein Sci., 33, 2024
7NHW
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BU of 7nhw by Molmil
Crystal structure of a shortened IpgC variant in complex with chlorzoxazone
分子名称: CHLORIDE ION, CHLORZOXAZONE, Chaperone protein IpgC, ...
著者Gardonyi, M, Heine, A, Klebe, G.
登録日2021-02-11
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Crystal structure of a shortened IpgC variant in complex with chlorzoxazone
To be published
8EKM
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BU of 8ekm by Molmil
Clostridioides difficile binary toxin translocase CDTb double mutant - D623A D734A
分子名称: ADP-ribosyltransferase binding component, CALCIUM ION
著者Abeyawardhane, D.L, Pozharski, E.
登録日2022-09-21
公開日2023-09-27
実験手法ELECTRON MICROSCOPY (3.56 Å)
主引用文献Calcium-mediated Pore Formation of Clostridioides difficile Binary Toxin
To Be Published

224004

件を2024-08-21に公開中

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