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7VD8
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BU of 7vd8 by Molmil
1.96 A structure of human apoferritin obtained from Talos Arctica microscope
分子名称: Ferritin heavy chain, SODIUM ION, ZINC ION
著者Fan, H.C, Zhang, Y, Sun, F.
登録日2021-09-06
公開日2021-12-29
最終更新日2025-06-25
実験手法ELECTRON MICROSCOPY (1.96 Å)
主引用文献A cryo-electron microscopy support film formed by 2D crystals of hydrophobin HFBI.
Nat Commun, 12, 2021
7NDY
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BU of 7ndy by Molmil
Di-phosphorylated Barrier-to-Autointegration Factor (BAF) in complex with LEM domain of Emerin
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Barrier-to-autointegration factor, N-terminally processed, ...
著者Marcelot, A, Le Du, M.H, Hoffmann, G, Zinn-Justin, S.
登録日2021-02-02
公開日2021-04-07
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Di-phosphorylated BAF shows altered structural dynamics and binding to DNA, but interacts with its nuclear envelope partners.
Nucleic Acids Res., 49, 2021
8E0R
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BU of 8e0r by Molmil
Crystal structure of mouse APCDD1 in P21 space group
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Protein APCDD1
著者Hsieh, F.L, Chang, T.H, Gabelli, S.B, Nathans, J.
登録日2022-08-09
公開日2023-05-10
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure of WNT inhibitor adenomatosis polyposis coli down-regulated 1 (APCDD1), a cell-surface lipid-binding protein.
Proc.Natl.Acad.Sci.USA, 120, 2023
6SSO
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BU of 6sso by Molmil
EDN mutant L45H
分子名称: ACETATE ION, Non-secretory ribonuclease
著者Fernandez-Millan, P, Prats-Ejarque, G, Vazquez-Monteagudo, S, Boix, E.
登録日2019-09-08
公開日2021-10-06
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.211 Å)
主引用文献Structural and functional characterization of new family enzymes derivates from human RNase 1 and 3 with antimicrobial and ribonuclease activity
To Be Published
4TLG
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BU of 4tlg by Molmil
Crystal structure of SEC14-like protein 4 (SEC14L4)
分子名称: 1,2-ETHANEDIOL, SEC14-like protein 4, UNDECANOIC ACID
著者Vollmar, M, Kopec, J, Kiyani, W, Shrestha, L, Sorrell, F, Krojer, T, Williams, E, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W.
登録日2014-05-29
公開日2014-07-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Crystal structure of SEC14-like protein 4 (SEC14L4)
To Be Published
6GUH
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BU of 6guh by Molmil
CDK2 in complex with AZD5438
分子名称: 1,2-ETHANEDIOL, 4-(2-methyl-3-propan-2-yl-imidazol-4-yl)-~{N}-(4-methylsulfonylphenyl)pyrimidin-2-amine, Cyclin-dependent kinase 2
著者Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P.
登録日2018-06-19
公開日2018-12-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition.
Cell Chem Biol, 26, 2019
6ZOQ
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BU of 6zoq by Molmil
Oestrogen receptor ligand binding domain in complex with compound 16
分子名称: Estrogen receptor, ~{N}-[4-[(6~{S},8~{R})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-3-methoxy-phenyl]-1-(3-fluoranylpropyl)azetidin-3-amine
著者Breed, J.
登録日2020-07-07
公開日2021-01-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of AZD9833, a Potent and Orally Bioavailable Selective Estrogen Receptor Degrader and Antagonist.
J.Med.Chem., 63, 2020
7NNS
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BU of 7nns by Molmil
Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound Momelotinib
分子名称: 1,2-ETHANEDIOL, Activin receptor type I, Momelotinib, ...
著者Williams, E, Chen, Z, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
登録日2021-02-25
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound Momelotinib
To Be Published
5KVR
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BU of 5kvr by Molmil
X-Ray Crystal Structure of a Fragment (1-75) of a Transcriptional Regulator PdhR from Escherichia coli CFT073
分子名称: Pyruvate dehydrogenase complex repressor
著者Brunzelle, J.S, Wawrzak, Z, Sandoval, J, Skarina, T, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2016-07-15
公開日2016-11-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献X-Ray Crystal Structure of a Fragment (1-75) of a Transcriptional Regulator PdhR from Escherichia coli CFT073
To Be Published
5F1G
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BU of 5f1g by Molmil
Crystal structure of AmpC BER adenylylated in the cytoplasm
分子名称: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, Beta-lactamase, ...
著者An, Y.J, Kim, M.K, Na, J.H, Cha, S.S.
登録日2015-11-30
公開日2016-12-07
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structural and mechanistic insights into the inhibition of class C beta-lactamases through the adenylylation of the nucleophilic serine.
J.Antimicrob.Chemother., 72, 2017
9V4J
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BU of 9v4j by Molmil
Prenyltransferase Ord1 Wild type-FSPP
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE, ...
著者Oshiro, T, Uehara, S, Ito, T, Tanaka, Y, Kodera, Y, Matsui, T.
登録日2025-05-23
公開日2025-10-01
最終更新日2025-10-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Activity Relationship of an All-alpha-helical Prenyltransferase Reveals the Mechanism of Indole Prenylation.
Biochemistry, 64, 2025
7MZ0
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BU of 7mz0 by Molmil
Structure of human DNA polymerase beta complexed with dzA as the template base in a 1-nucleotide gapped DNA
分子名称: DNA (5'-D(*CP*CP*GP*AP*CP*(4DU)P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
著者Koag, M.-C, Lee, S.
登録日2021-05-23
公開日2022-05-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.021 Å)
主引用文献Structure Of Human Dna Polymerase Beta Complexed With dzA As The Template Base In A 1-Nucleotide Gapped Dna
To Be Published
8UL7
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BU of 8ul7 by Molmil
The structure of NanH in complex with Neu5Ac
分子名称: 1,2-ETHANEDIOL, N-acetyl-alpha-neuraminic acid, Sialidase
著者Medley, B.J, Boraston, A.B.
登録日2023-10-16
公開日2024-09-04
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A "terminal" case of glycan catabolism: Structural and enzymatic characterization of the sialidases of Clostridium perfringens.
J.Biol.Chem., 300, 2024
5F4J
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BU of 5f4j by Molmil
Protruding domain of GII.17 norovirus Saitama/T87
分子名称: 1,2-ETHANEDIOL, Protruding domain of GII.17 norovirus capsid
著者Singh, B.K, Hansman, G.S.
登録日2015-12-03
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.933 Å)
主引用文献Structural Evolution of the Emerging 2014-2015 GII.17 Noroviruses.
J.Virol., 90, 2015
5NXY
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BU of 5nxy by Molmil
Crystal structure of OpuAC from B. subtilis in complex with Arsenobetaine
分子名称: 1,2-ETHANEDIOL, 2-(trimethyl-lambda~5~-arsanyl)ethanol, Osmotically activated L-carnitine/choline ABC transporter substrate-binding protein OpuCC
著者Hofmann, T, Bremer, E, Schmitt, L, Smits, S.
登録日2017-05-11
公開日2018-03-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Arsenobetaine: an ecophysiologically important organoarsenical confers cytoprotection against osmotic stress and growth temperature extremes.
Environ. Microbiol., 20, 2018
7MZ3
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BU of 7mz3 by Molmil
Structure of human DNA polymerase beta complexed with 3-deaza-3-methyladenine (3dMeA) as the template base in a 1-nucleotide gapped DNA
分子名称: DNA (5'-D(*CP*CP*GP*AP*CP*(DZM)P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
著者Koag, M.-C, Lee, S.
登録日2021-05-24
公開日2022-06-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.418 Å)
主引用文献Structure of human DNA polymerase beta complexed with 3-deaza-3-methyladenine (3dMeA) as the template base in a 1-nucleotide gapped DNA
To Be Published
6ZPE
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BU of 6zpe by Molmil
Nonstructural protein 10 (nsp10) from SARS CoV-2
分子名称: CHLORIDE ION, GLYCEROL, Replicase polyprotein 1ab, ...
著者Fisher, S.Z, Kozielski, F.
登録日2020-07-08
公開日2020-10-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Crystal Structure of Non-Structural Protein 10 from Severe Acute Respiratory Syndrome Coronavirus-2.
Int J Mol Sci, 21, 2020
4U5X
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BU of 4u5x by Molmil
Structure of plant small GTPase OsRac1 complexed with the non-hydrolyzable GTP analog GMPPNP
分子名称: GLYCEROL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Ohki, I, Kosami, K, Fujiwara, T, Nakagawa, A, Shimamoto, K, Kojima, C.
登録日2014-07-25
公開日2014-08-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Crystal Structure of the Plant Small GTPase OsRac1 Reveals Its Mode of Binding to NADPH Oxidase
J.Biol.Chem., 289, 2014
6T3W
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BU of 6t3w by Molmil
Coxsackie B3 2C protein in complex with S-Fluoxetine
分子名称: (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine, 2C protein, SODIUM ION, ...
著者El Kazzi, P, Papageorgiou, N, Ferron, F.P, Bauer, L, van Kuppeveld, F, Coutard, B.
登録日2019-10-11
公開日2020-11-18
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Fluoxetine targets an allosteric site in the enterovirus 2C AAA+ ATPase and stabilizes a ring-shaped hexameric complex.
Sci Adv, 8, 2022
9YIC
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BU of 9yic by Molmil
Crystal structure of human IL-17A in complex with Compound 1
分子名称: (3S)-N-[(3-{[(1S)-2-anilino-1-cyclohexyl-2-oxoethyl]carbamoyl}phenyl)methyl]-2,2-dimethylthiomorpholine-3-carboxamide, Interleukin-17A
著者Armstrong, A.A, Milligan, C.M, Luo, J.
登録日2025-10-01
公開日2025-10-15
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献A Novel Small Molecule Allosteric Inhibitor of IL-17A From a DNA-Encoded Library
Acs Med.Chem.Lett., 2025
6TGF
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BU of 6tgf by Molmil
Pantoea stewartii WceF is a glycan biofilm modifying enzyme with a bacteriophage tailspike-like parallel beta-helix fold
分子名称: 1,2-ETHANEDIOL, Exopolysaccharide biosynthesis protein, TETRAETHYLENE GLYCOL
著者Irmscher, T, Roske, Y, Gayk, I, Heinemann, U, Barbirz, S.
登録日2019-11-15
公開日2020-11-25
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Pantoea stewartii WceF is a glycan biofilm-modifying enzyme with a bacteriophage tailspike-like fold.
J.Biol.Chem., 296, 2021
8A5J
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BU of 8a5j by Molmil
Crystal structure of Human STE20-like kinase 1, MST1 in complex with compound XMU-MP-1
分子名称: 4-[(5,10-dimethyl-6-oxo-6,10-dihydro-5H-pyrimido[5,4-b]thieno[3,2-e][1,4]diazepin-2-yl)amino]benzenesulfonamide, Serine/threonine-protein kinase 4 37kDa subunit
著者Nawrotek, A, Vuillard, L, Miallau, L.
登録日2022-06-15
公開日2022-07-13
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.123 Å)
主引用文献Crystal structure of the Kelch domain of human Keap1in complex with ligand S217879
To Be Published
6BLH
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BU of 6blh by Molmil
RSV G central conserved region bound to Fab CB017.5
分子名称: 1,2-ETHANEDIOL, Fab CB017.5 heavy chain, Fab CB017.5 light chain, ...
著者Jones, H.G, McLellan, J.S, Langedijk, J.P.
登録日2017-11-10
公開日2018-02-28
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for recognition of the central conserved region of RSV G by neutralizing human antibodies.
PLoS Pathog., 14, 2018
7PHN
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BU of 7phn by Molmil
LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
分子名称: (2~{R},4~{R})-4-[[(2~{S},4~{S})-4-fluoranylpyrrolidin-2-yl]carbonylamino]-1-(2-methylpropanoyl)-~{N}-[[4-(2-phenylethynyl)phenyl]methyl]pyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
著者Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M.
登録日2021-08-17
公開日2022-09-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
To Be Published
7NMF
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BU of 7nmf by Molmil
Human MHC Class I, A24 Allele presenting QLPRLFPLL, Complex with 4C6 TCR, monoclinic form
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLN-LEU-PRO-ARG-LEU-PHE-PRO-LEU-LEU, ...
著者Rizkallah, P.J, Sewell, A.K, Cole, D.K, Wall, A.
登録日2021-02-23
公開日2022-09-07
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献Human MHC Class I, A24 Allele presenting QLPRLFPLL, Complex with 4C6 TCR, monoclinic form
To Be Published

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