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6GCJ
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BU of 6gcj by Molmil
Solution structure of the RodA hydrophobin from Aspergillus fumigatus
分子名称: Hydrophobin
著者Pille, A, Kwan, A, Aimanianda, V, Latge, J.-P, Sunde, M, Guijarro, J.I.
登録日2018-04-18
公開日2019-03-27
最終更新日2024-11-13
実験手法SOLUTION NMR
主引用文献Assembly and disassembly of Aspergillus fumigatus conidial rodlets
Cell Surf, 2019
8Q71
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BU of 8q71 by Molmil
Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the inhibitor GC-67
分子名称: (2~{S})-1-(3,4-dichlorophenyl)-4-(4-methoxypyridin-3-yl)carbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5
著者Strater, N, Muller, C.E, Sylvester, K, Weisse, R.H, Useini, A, Gao, S, Song, L, Liu, Z, Zhan, P.
登録日2023-08-15
公開日2023-12-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.322 Å)
主引用文献Design, Synthesis, and Biological Evaluation of Trisubstituted Piperazine Derivatives as Noncovalent Severe Acute Respiratory Syndrome Coronavirus 2 Main Protease Inhibitors with Improved Antiviral Activity and Favorable Druggability.
J.Med.Chem., 66, 2023
8VF6
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BU of 8vf6 by Molmil
Crystal structure of Serine/threonine-protein kinase 33 (STK33) Kinase Domain in complex with inhibitor CDD-2211
分子名称: Serine/threonine-protein kinase 33, {3-[([1,1'-biphenyl]-2-yl)ethynyl]-1H-indazol-5-yl}[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone
著者Ta, H.M, Kim, C, Ku, K.A, Matzuk, M.M.
登録日2023-12-21
公開日2024-06-05
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Reversible male contraception by targeted inhibition of serine/threonine kinase 33.
Science, 384, 2024
8PIR
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BU of 8pir by Molmil
Crystal structure of Ser33 in complex with 3-PGA (3-phosphoglycerate)
分子名称: 1,4-BUTANEDIOL, 3-PHOSPHOGLYCERIC ACID, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Perrone, S, Cifuente, J.O, Marina, A, Mastrella, L, Trastoy, B, Linster, C.L, Guerin, M.E.
登録日2023-06-22
公開日2025-01-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of Ser33 in complex with 3-PGA (3-phosphoglycerate)
To Be Published
9QZE
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BU of 9qze by Molmil
Exploiting ALDH1A2 and ALDH1A3 Isoform Variability for Crystallization Screening
分子名称: Aldehyde dehydrogenase family 1 member A3, DI(HYDROXYETHYL)ETHER, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Garaavglia, S, Mazzorana, M.
登録日2025-04-22
公開日2025-09-03
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Exploiting ALDH1A2 and ALDH1A3 isoform variability for crystallisation screening.
Biochem.Biophys.Res.Commun., 780, 2025
3GLP
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BU of 3glp by Molmil
1.23 A resolution X-ray structure of (GCUGCUGC)2
分子名称: 5'-R(*GP*CP*UP*GP*CP*UP*GP*C)-3', GLYCEROL, SULFATE ION
著者Kiliszek, A, Kierzek, R, Krzyzosiak, W.J, Rypniewski, W.
登録日2009-03-12
公開日2009-05-26
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Structural insights into CUG repeats containing the 'stretched U-U wobble': implications for myotonic dystrophy.
Nucleic Acids Res., 37, 2009
9IL3
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BU of 9il3 by Molmil
Crystal structure of human malectin in complex with glucose
分子名称: 1,4-DIETHYLENE DIOXIDE, Malectin, SULFATE ION, ...
著者Si, Y.L.
登録日2024-06-29
公開日2025-07-02
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献The Structural Basis of Human Malectin Recognition of Ligands
To Be Published
9C6T
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BU of 9c6t by Molmil
Structure of the Human ISM1 TSR-AMOP domains
分子名称: Isthmin-1, alpha-D-mannopyranose
著者Stayrook, S, Li, T, Klein, D.E.
登録日2024-06-08
公開日2025-04-23
実験手法X-RAY DIFFRACTION (3.41 Å)
主引用文献Structure of the pleiotropic factor Isthmin-1 and its inactivity on pre-adipocytes
To Be Published
6S9P
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BU of 6s9p by Molmil
Designed Armadillo Repeat protein internal Lock2 fused to target peptide KRKAKITWKR
分子名称: 1,2-ETHANEDIOL, internal Lock2 fused to target peptide KRKAKITWKR
著者Ernst, P, Zosel, F, Reichen, C, Schuler, B, Pluckthun, A.
登録日2019-07-15
公開日2020-02-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-Guided Design of a Peptide Lock for Modular Peptide Binders.
Acs Chem.Biol., 15, 2020
8J6V
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BU of 8j6v by Molmil
Structure of yeast Arginyl-tRNA-protein transferase 1
分子名称: arginyltransferase
著者Yashiro, Y, Tomita, K.
登録日2023-04-26
公開日2023-06-07
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structure of Arginyl-tRNA-protein transferase 1
To Be Published
9BU4
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BU of 9bu4 by Molmil
Crystal structure of an MKP5 mutant, Y435W, in complex with an allosteric inhibitor
分子名称: 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one, Dual specificity protein phosphatase 10
著者Manjula, R, Bennett, A.M, Lolis, E.
登録日2024-05-16
公開日2025-05-28
最終更新日2025-08-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Dynamic and structural insights into allosteric regulation on MKP5 a dual-specificity phosphatase.
Nat Commun, 16, 2025
8KIH
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BU of 8kih by Molmil
PhmA, a type I diterpene synthase without NST/DTE motif
分子名称: (2Z,6E,10E)-2-fluoro-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl trihydrogen diphosphate, MAGNESIUM ION, diterpene synthase, ...
著者Zhang, B, Ge, H.M, Zhu, A, Zhang, Y.
登録日2023-08-23
公開日2023-10-04
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Biosynthesis of Phomactin Platelet Activating Factor Antagonist Requires a Two-Enzyme Cascade.
Angew.Chem.Int.Ed.Engl., 62, 2023
7BWQ
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BU of 7bwq by Molmil
Structure of nonstructural protein Nsp9 from SARS-CoV-2
分子名称: Nsp9, SULFATE ION
著者Zhang, C, Chen, Y, Li, L, Su, D.
登録日2020-04-15
公開日2021-07-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.954 Å)
主引用文献Structural basis for the multimerization of nonstructural protein nsp9 from SARS-CoV-2.
Mol Biomed, 1, 2020
8T36
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BU of 8t36 by Molmil
Crystal structure of K49 acetylated LC3A in complex with the LIR of TP53INP2/DOR
分子名称: 1,2-ETHANEDIOL, Tumor protein p53-inducible nuclear protein 2,Microtubule-associated proteins 1A/1B light chain 3A chimera
著者Ali, M.G.H, Wahba, H.M, Cyr, N, Omichinski, J.G.
登録日2023-06-07
公開日2024-05-22
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.852 Å)
主引用文献Structural and functional characterization of the role of acetylation on the interactions of the human Atg8-family proteins with the autophagy receptor TP53INP2/DOR.
Autophagy, 20, 2024
8OK9
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BU of 8ok9 by Molmil
Heterodimeric complex of Archaeoglobus fulgidus Argonaute protein Af1318 (AfAgo) with DNA and AfAgo-N protein containing N-L1-L2 domains
分子名称: 1,2-ETHANEDIOL, ACETIC ACID, Archaeoglobus fulgidus AfAgo-N protein, ...
著者Manakova, E.N, Zaremba, M.
登録日2023-03-27
公開日2024-01-24
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The missing part: the Archaeoglobus fulgidus Argonaute forms a functional heterodimer with an N-L1-L2 domain protein.
Nucleic Acids Res., 52, 2024
6G82
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BU of 6g82 by Molmil
Serum paraoxonase-1 by directed evolution with the L69S/H115W/F222S mutations
分子名称: CALCIUM ION, Serum paraoxonase-1 by directed evolution with the L69S/H115W/F222S mutations
著者Ben-David, M, Sussman, J.L, Tawfik, D.S.
登録日2018-04-07
公開日2019-03-20
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Enzyme Evolution: An Epistatic Ratchet versus a Smooth Reversible Transition.
Mol.Biol.Evol., 37, 2020
6FMR
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BU of 6fmr by Molmil
IMISX-EP of Se-PepTSt
分子名称: (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, Di-or tripeptide:H+ symporter, PHOSPHATE ION
著者Huang, C.-Y, Olieric, V, Howe, N, Warshamanage, R, Weinert, T, Panepucci, E, Vogeley, L, Basu, S, Diederichs, K, Caffrey, M, Wang, M.
登録日2018-02-02
公開日2018-08-29
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献In situ serial crystallography for rapid de novo membrane protein structure determination.
Commun Biol, 1, 2018
7F44
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BU of 7f44 by Molmil
Crystal structure of Moraxella catarrhalis enoyl-ACP-reductase (FabI) in complex with the cofactor NAD
分子名称: CALCIUM ION, Enoyl-[acyl-carrier-protein] reductase [NADH], GLYCEROL, ...
著者Katiki, M, Neetu, N, Pratap, S, Kumar, P.
登録日2021-06-17
公開日2022-06-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Biochemical and structural basis for Moraxella catarrhalis enoyl-acyl carrier protein reductase (FabI) inhibition by triclosan and estradiol.
Biochimie, 198, 2022
6M87
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BU of 6m87 by Molmil
Fab 10A6 in complex with MPTS
分子名称: 8-methoxypyrene-1,3,6-trisulfonic acid, Fab 10A6 heavy chain, Fab 10A6 light chain, ...
著者Stanfield, R.L, Wilson, I.A.
登録日2018-08-21
公開日2019-07-03
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.609 Å)
主引用文献Structure and Dynamics of Stacking Interactions in an Antibody Binding Site.
Biochemistry, 58, 2019
6IYF
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BU of 6iyf by Molmil
Structure of pSTING complex
分子名称: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, SULFATE ION, Stimulator of interferon genes protein
著者Yuan, Z.L, Shang, G.J, Cong, X.Y, Gu, L.C.
登録日2018-12-15
公開日2019-06-19
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.764 Å)
主引用文献Crystal structures of porcine STINGCBD-CDN complexes reveal the mechanism of ligand recognition and discrimination of STING proteins.
J.Biol.Chem., 294, 2019
9FMQ
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BU of 9fmq by Molmil
Crystal structure of C. merolae LAMMER-like dual specificity kinase (CmLIK) hairpin mutant kinase domain
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
著者Dimos-Roehl, B, Haltenhof, T, Kotte, A, Heyd, F, Loll, B.
登録日2024-06-06
公開日2025-06-18
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Crystal structure of C. merolae LAMMER-like dual specificity kinase CmLIK kinase domain
to be published
1NP9
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BU of 1np9 by Molmil
Structure of the parallel-stranded DNA quadruplex d(TTAGGGA)4 containing the human telomeric repeat
分子名称: 5'-D(*TP*TP*AP*GP*GP*GP*T)-3'
著者Gavathiotis, E, Searle, M.S.
登録日2003-01-17
公開日2003-09-16
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure of the parallel-stranded DNA quadruplex d(TTAGGGT)4 containing the human telomeric repeat: evidence for A-tetrad formation from NMR and molecular dynamics simulations.
ORG.BIOMOL.CHEM., 1, 2003
6YMY
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BU of 6ymy by Molmil
Cytochrome c oxidase from Saccharomyces cerevisiae
分子名称: (2R,5S,11R,14R)-5,8,11-trihydroxy-2-(nonanoyloxy)-5,11-dioxido-16-oxo-14-[(propanoyloxy)methyl]-4,6,10,12,15-pentaoxa-5,11-diphosphanonadec-1-yl undecanoate, 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, COPPER (II) ION, ...
著者Berndtsson, J, Rathore, S, Ott, M.
登録日2020-04-10
公開日2020-09-09
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.41 Å)
主引用文献Respiratory supercomplexes enhance electron transport by decreasing cytochrome c diffusion distance.
Embo Rep., 21, 2020
6VXT
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BU of 6vxt by Molmil
Activated Nitrogenase MoFe-protein from Azotobacter vinelandii
分子名称: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (III) ION, FE(8)-S(7) CLUSTER, ...
著者Kang, W, Hu, Y, Ribbe, M.W.
登録日2020-02-24
公開日2020-06-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structural evidence for a dynamic metallocofactor during N2reduction by Mo-nitrogenase.
Science, 368, 2020
5J9M
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BU of 5j9m by Molmil
tRNA guanine Transglycosylase (TGT) in co-crystallized complex with 2-(methylamino)-1H-benzo[d]imidazole-5-carboxamide
分子名称: 1,2-ETHANEDIOL, 2-(methylamino)-1H-benzimidazole-5-carboxamide, CHLORIDE ION, ...
著者Ehrmann, F.R, Heine, A, Klebe, G.
登録日2016-04-10
公開日2017-05-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Benzimidazole-based Inhibitors as a Novel Scaffold to Inhibit Z.mobilis TGT and Study Protein Flexibility and the Contributions of Active Site Residues to Binding Affinity of lin-Benzopurines.
To be Published

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件を2025-10-22に公開中

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