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8ZLR
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BU of 8zlr by Molmil
SFX structure of CraCRY in the semiquinone state
分子名称: Cryptochrome photoreceptor, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE
著者Maestre-Reyna, M, Hosokawa, Y, Wang, P.-H, Saft, M, Caramello, N, Engilberge, S, Franz-Badur, S, Ngura Putu, E.P.G, Nakamura, M, Wu, W.-J, Wu, H.-Y, Lee, C.-C, Huang, W.-C, Huang, K.-F, Chang, Y.-K, Yang, C.-H, Lin, W.-T, Yang, K.-C, Ban, Y, Imura, T, Kazuoka, A, Tanida, E, Owada, S, Joti, Y, Tanaka, R, Tanaka, T, Luo, F, Tono, K, Kiontke, S, Korf, L, Umena, Y, Tosha, T, Bessho, Y, Nango, E, Iwata, S, Royant, A, Tsai, M.-D, Yamamoto, J, Essen, L.-O.
登録日2024-05-21
公開日2025-05-14
最終更新日2025-05-28
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Capturing structural intermediates in an animal-like cryptochrome photoreceptor by time-resolved crystallography.
Sci Adv, 11, 2025
3COU
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BU of 3cou by Molmil
Crystal structure of human Nudix motif 16 (NUDT16)
分子名称: Nucleoside diphosphate-linked moiety X motif 16
著者Tresaugues, L, Moche, M, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Schueler, H, Svensson, L, Thorsell, A.G, Van Den Berg, S, Welin, M, Weigelt, J, Wikstrom, M, Nordlund, P, Structural Genomics Consortium (SGC)
登録日2008-03-29
公開日2008-04-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of human Nudix motif 16 (NUDT16).
To be Published
8ZRN
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BU of 8zrn by Molmil
Structure of abt
分子名称: 5-[[(2~{S})-azetidin-2-yl]methoxy]-2-chloranyl-pyridine, Neuronal acetylcholine receptor subunit alpha-6, Neuronal acetylcholine receptor subunit beta-4,Soluble cytochrome b562, ...
著者Su, J, Yu, Z, Zhao, Y.
登録日2024-06-04
公開日2025-04-30
実験手法ELECTRON MICROSCOPY (3.25 Å)
主引用文献Molecular insights into the alpha 6 beta 4 nicotinic acetylcholine receptor function and ligand recognition.
Nat Commun, 16, 2025
8ZRP
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BU of 8zrp by Molmil
Structure of nico
分子名称: (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, Neuronal acetylcholine receptor subunit alpha-6, Neuronal acetylcholine receptor subunit beta-4,Soluble cytochrome b562, ...
著者Su, J, Yu, Z, Zhao, Y.
登録日2024-06-05
公開日2025-04-30
実験手法ELECTRON MICROSCOPY (3.32 Å)
主引用文献Molecular insights into the alpha 6 beta 4 nicotinic acetylcholine receptor function and ligand recognition.
Nat Commun, 16, 2025
7MY6
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BU of 7my6 by Molmil
Se-CrtE C-term His-tag with IPP added
分子名称: 1,2-ETHANEDIOL, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, CHLORIDE ION, ...
著者Peat, T.S, Newman, J.
登録日2021-05-20
公開日2022-08-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Molecular characterization of cyanobacterial short-chain prenyltransferases and discovery of a novel GGPP phosphatase.
Febs J., 289, 2022
7MMD
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BU of 7mmd by Molmil
Crystal structure of HCV NS3/4A D168A protease in complex with JZ01-19
分子名称: 1,2-ETHANEDIOL, NS3/4A protease, SULFATE ION, ...
著者Zephyr, J, Schiffer, C.A.
登録日2021-04-29
公開日2022-08-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Deciphering the Molecular Mechanism of HCV Protease Inhibitor Fluorination as a General Approach to Avoid Drug Resistance.
J.Mol.Biol., 434, 2022
7MWH
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BU of 7mwh by Molmil
Crystal structure of BAZ2A with DNA
分子名称: Bromodomain adjacent to zinc finger domain protein 2A, DNA (5'-D(*CP*GP*GP*AP*AP*TP*GP*TP*AP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*TP*AP*(5CM)P*AP*TP*TP*CP*CP*G)-3'), ...
著者Liu, K, Dong, A, Li, Y, Loppnau, P, Edwards, A.M, Arrowsmith, C.H, Min, J, Structural Genomics Consortium (SGC)
登録日2021-05-17
公開日2022-08-31
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Crystal structure of the BAZ2B TAM domain.
Heliyon, 8, 2022
7MX9
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BU of 7mx9 by Molmil
Crystal structure of the SARS-CoV-2 ORF8 accessory protein
分子名称: ORF8 protein
著者Bailey-Elkin, B.A, Stetefeld, J.
登録日2021-05-18
公開日2023-01-25
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The unique ORF8 protein of SARS-CoV-2 binds to human dendritic cells and induces a cytokine storm
To Be Published
3CLV
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BU of 3clv by Molmil
Crystal Structure of Rab5a from plasmodium falciparum, PFB0500c
分子名称: CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, Rab5 protein, ...
著者Chattopadhyay, D, Wernimont, A.K, Langsley, G, Lew, J, Kozieradzki, I, Cossar, D, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Sukumar, D, Structural Genomics Consortium (SGC)
登録日2008-03-20
公開日2008-07-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Crystal Structure of Rab5a from plasmodium falciparum, PFB0500c
To be Published
5CTU
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BU of 5ctu by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(thiophen-2-yl)thieno[2,3-d]pyrimidin-4(1H)-one, CHLORIDE ION, ...
著者Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C, Mesleh, M, Cross, J.B, Zhang, J, Yang, Q, Lippa, B, Ryan, M.D.
登録日2015-07-24
公開日2016-02-03
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB.
Bioorg.Med.Chem.Lett., 26, 2016
4UX5
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BU of 4ux5 by Molmil
Structure of DNA complex of PCG2
分子名称: 5'-D(*CP*AP*AP*TP*GP*AP*CP*GP*CP*GP*TP*AP*AP*GP)-3', 5'-D(*CP*TP*TP*AP*CP*GP*CP*GP*TP*CP*AP*TP*TP*GP)-3', TRANSCRIPTION FACTOR MBP1
著者Liu, J, Huang, J, Zhao, Y, Liu, H, Wang, D, Yang, J, Zhao, W, Taylor, I.A, Peng, Y.
登録日2014-08-19
公開日2015-01-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Basis of DNA Recognition by Pcg2 Reveals a Novel DNA Binding Mode for Winged Helix-Turn-Helix Domains.
Nucleic Acids Res., 43, 2015
4WA1
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BU of 4wa1 by Molmil
The crystal structure of hemagglutinin from a H3N8 influenza virus isolated from New England harbor seals
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, Hemagglutinin, ...
著者Yang, H, Villanueva, J.M, Gubareva, L.V, Stevens, J.
登録日2014-08-28
公開日2015-01-14
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.898 Å)
主引用文献Structural and Functional Analysis of Surface Proteins from an A(H3N8) Influenza Virus Isolated from New England Harbor Seals.
J.Virol., 89, 2015
9BJU
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BU of 9bju by Molmil
Crystal structure of the complex between VHL, ElonginB, ElonginC, and compound 5
分子名称: 1,2-ETHANEDIOL, 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, ACETATE ION, ...
著者Murray, J.M, Wu, H, Fuhrmann, J, Fairbrother, W.J, DiPasquale, A.
登録日2024-04-25
公開日2024-05-29
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Potency-Enhanced Peptidomimetic VHL Ligands with Improved Oral Bioavailability.
J.Med.Chem., 67, 2024
9BOL
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BU of 9bol by Molmil
Crystal structure of the complex between VHL, ElonginB, ElonginC, and compound 5
分子名称: (4R)-1-[(2S)-2-(4-cyclopropyl-1H-1,2,3-triazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Murray, J.M, Wu, H, Fuhrmann, J, Fairbrother, W.J, DiPasquale, A.
登録日2024-05-03
公開日2024-05-29
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Potency-Enhanced Peptidomimetic VHL Ligands with Improved Oral Bioavailability.
J.Med.Chem., 67, 2024
9BAP
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BU of 9bap by Molmil
CryoEM structure of Apo-DIM2
分子名称: DNA (cytosine-5-)-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION
著者Song, J, Shao, Z.
登録日2024-04-04
公開日2024-07-24
最終更新日2025-02-05
実験手法ELECTRON MICROSCOPY (2.88 Å)
主引用文献Multi-layered heterochromatin interaction as a switch for DIM2-mediated DNA methylation.
Nat Commun, 15, 2024
5K4J
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BU of 5k4j by Molmil
Crystal Structure of CDK2 in complex with compound 22
分子名称: 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, Cyclin-dependent kinase 2
著者Yin, J, Wang, W.
登録日2016-05-20
公開日2016-07-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development.
J.Med.Chem., 59, 2016
9B9V
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BU of 9b9v by Molmil
Cryo-EM structure of the ZBTB9 BTB domain filament
分子名称: Zinc finger and BTB domain-containing protein 9
著者Park, J, Hunkeler, M, Fischer, E.S.
登録日2024-04-03
公開日2024-07-24
実験手法ELECTRON MICROSCOPY (8.1 Å)
主引用文献Polymerization of ZBTB transcription factors regulates chromatin occupancy.
Mol.Cell, 84, 2024
9B9R
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BU of 9b9r by Molmil
Cryo-EM structure of the ZBTB5 BTB domain filament
分子名称: Zinc finger and BTB domain-containing protein 5
著者Park, J, Hunkeler, M, Fischer, E.S.
登録日2024-04-03
公開日2024-07-24
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Polymerization of ZBTB transcription factors regulates chromatin occupancy.
Mol.Cell, 84, 2024
9BAZ
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BU of 9baz by Molmil
CryoEM structure of DIM2-HP1 complex
分子名称: DNA (cytosine-5-)-methyltransferase, Heterochromatin protein one, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Song, J, Shao, Z.
登録日2024-04-05
公開日2024-07-24
最終更新日2025-02-05
実験手法ELECTRON MICROSCOPY (2.76 Å)
主引用文献Multi-layered heterochromatin interaction as a switch for DIM2-mediated DNA methylation.
Nat Commun, 15, 2024
4WA3
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BU of 4wa3 by Molmil
The crystal structure of neuraminidase from a H3N8 influenza virus isolated from New England harbor seals
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NICKEL (II) ION, ...
著者Yang, H, Villanueva, J.M, Gubareva, L.V, Stevens, J.
登録日2014-08-28
公開日2015-01-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Structural and Functional Analysis of Surface Proteins from an A(H3N8) Influenza Virus Isolated from New England Harbor Seals.
J.Virol., 89, 2015
9BAQ
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BU of 9baq by Molmil
CryoEM structure of DIM2-HP1-H3K9me3-DNA complex
分子名称: DNA (5'-D(*AP*CP*TP*AP*CP*T)-R(P*(PYO))-D(P*CP*TP*CP*CP*TP*CP*CP*TP*AP*CP*T)-3'), DNA (5'-D(*AP*GP*TP*AP*GP*GP*AP*GP*GP*AP*GP*GP*AP*GP*TP*AP*GP*T)-3'), DNA (cytosine-5-)-methyltransferase, ...
著者Song, J, Shao, Z.
登録日2024-04-04
公開日2024-07-24
最終更新日2025-02-05
実験手法ELECTRON MICROSCOPY (2.79 Å)
主引用文献Multi-layered heterochromatin interaction as a switch for DIM2-mediated DNA methylation.
Nat Commun, 15, 2024
3DFR
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BU of 3dfr by Molmil
CRYSTAL STRUCTURES OF ESCHERICHIA COLI AND LACTOBACILLUS CASEI DIHYDROFOLATE REDUCTASE REFINED AT 1.7 ANGSTROMS RESOLUTION. I. GENERAL FEATURES AND BINDING OF METHOTREXATE
分子名称: DIHYDROFOLATE REDUCTASE, METHOTREXATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Filman, D.J, Matthews, D.A, Bolin, J.T, Kraut, J.
登録日1982-06-25
公開日1982-10-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structures of Escherichia coli and Lactobacillus casei dihydrofolate reductase refined at 1.7 A resolution. I. General features and binding of methotrexate.
J.Biol.Chem., 257, 1982
4WEB
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BU of 4web by Molmil
Structure of the core ectodomain of the hepatitis C virus envelope glycoprotein 2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, FORMAMIDE, Mouse Fab Heavy Chain, ...
著者Khan, A.G, Whidby, J, Miller, M.T, Scarborough, H, Zatorski, A.V, Cygan, A, Price, A.A, Yost, S.A, Bohannon, C.D, Jacob, J, Grakoui, A, Marcotrigiano, J.
登録日2014-09-09
公開日2014-12-17
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of the core ectodomain of the hepatitis C virus envelope glycoprotein 2.
Nature, 509, 2014
4WA4
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BU of 4wa4 by Molmil
The crystal structure of neuraminidase from a H3N8 influenza virus isolated from New England harbor seals in complex with oseltamivir carboxylate
分子名称: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, Neuraminidase, ...
著者Yang, H, Villanueva, J.M, Gubareva, L.V, Stevens, J.
登録日2014-08-28
公開日2015-01-14
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural and Functional Analysis of Surface Proteins from an A(H3N8) Influenza Virus Isolated from New England Harbor Seals.
J.Virol., 89, 2015
5D6P
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BU of 5d6p by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ethyl-3-[4-(hydroxymethyl)-5-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]urea, DNA gyrase subunit B, ...
著者Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C.
登録日2015-08-12
公開日2015-11-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors.
J.Med.Chem., 58, 2015

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