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5ZDZ
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BU of 5zdz by Molmil
Hairpin Forming Complex, RAG1/2-Nicked 12RSS/23RSS complex in Ca2+
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, DNA (30-MER), ...
著者Kim, M.S, Chuenchor, W, Chen, X, Gellert, M, Yang, W.
登録日2018-02-25
公開日2018-04-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Cracking the DNA Code for V(D)J Recombination
Mol. Cell, 70, 2018
5DYU
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BU of 5dyu by Molmil
Crystal Structure of BAZ2B bromodomain in complex with fragment F39
分子名称: 1H-imidazol-5-ylmethanol, Bromodomain adjacent to zinc finger domain protein 2B
著者Lolli, G, Caflisch, A.
登録日2015-09-25
公開日2016-03-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献High-Throughput Fragment Docking into the BAZ2B Bromodomain: Efficient in Silico Screening for X-Ray Crystallography.
Acs Chem.Biol., 11, 2016
6B9M
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BU of 6b9m by Molmil
Crystal structure of UHRF1 TTD domain in complex with the polybasic region
分子名称: E3 ubiquitin-protein ligase UHRF1
著者Song, J, Tan, X.
登録日2017-10-10
公開日2018-02-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献An Intramolecular Interaction of UHRF1 Reveals Dual Control for Its Histone Association.
Structure, 26, 2018
6BAA
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BU of 6baa by Molmil
Cryo-EM structure of the pancreatic beta-cell KATP channel bound to ATP and glibenclamide
分子名称: 5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide, ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family C member 8, ...
著者Martin, G.M, Yoshioka, C, Shyng, S.L.
登録日2017-10-12
公開日2017-11-01
最終更新日2019-12-25
実験手法ELECTRON MICROSCOPY (3.63 Å)
主引用文献Anti-diabetic drug binding site in a mammalian KATPchannel revealed by Cryo-EM.
Elife, 6, 2017
5ZE0
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BU of 5ze0 by Molmil
Hairpin Forming Complex, RAG1/2-Nicked(with Dideoxy) 12RSS/23RSS complex in Mg2+
分子名称: 1,2-ETHANEDIOL, DNA (30-MER), DNA (39-MER), ...
著者Kim, M.S, Chuenchor, W, Chen, X, Gellert, M, Yang, W.
登録日2018-02-25
公開日2018-04-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Cracking the DNA Code for V(D)J Recombination
Mol. Cell, 70, 2018
5A8L
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BU of 5a8l by Molmil
Human eRF1 and the hCMV nascent peptide in the translation termination complex
分子名称: 28S RIBOSOMAL RNA, 60S RIBOSOMAL PROTEIN L12, 60S RIBOSOMAL PROTEIN L17, ...
著者Matheisl, S, Berninghausen, O, Becker, T, Beckmann, R.
登録日2015-07-16
公開日2015-12-02
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structure of a Human Translation Termination Complex.
Nucleic Acids Res., 43, 2015
6DJ4
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BU of 6dj4 by Molmil
Crystal Structure of Bacillus thuringiensis Cry1A.105 Tryptic Core
分子名称: Cry1A.105
著者Rydel, T.J, Sturman, E.J, Lee, T.C.
登録日2018-05-24
公開日2018-09-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Safety of the Bacillus thuringiensis-derived Cry1A.105 protein: Evidence that domain exchange preserves mode of action and safety.
Regul. Toxicol. Pharmacol., 99, 2018
4JWL
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BU of 4jwl by Molmil
Complexe of ARNO Sec7 domain with the protein-protein interaction inhibitor N-(4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide at pH7.5
分子名称: Cytohesin-2, N-(4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide
著者Hoh, F, Rouhana, J.
登録日2013-03-27
公開日2013-10-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Fragment-based identification of a locus in the Sec7 domain of Arno for the design of protein-protein interaction inhibitors
J.Med.Chem., 56, 2013
6DCQ
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BU of 6dcq by Molmil
Ectodomain of full length, wild type HIV-1 glycoprotein clone PC64M18C043 in complex with PGT151 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Rantalainen, K.
登録日2018-05-08
公開日2018-06-27
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Co-evolution of HIV Envelope and Apex-Targeting Neutralizing Antibody Lineage Provides Benchmarks for Vaccine Design.
Cell Rep, 23, 2018
6D7J
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BU of 6d7j by Molmil
The Crystal Structure of Parabacteroides merdae Beta-Glucuronidase (GUS) with Glycerol in Active-Site
分子名称: Beta-Glucuronidase, GLYCEROL, POTASSIUM ION, ...
著者Little, M.S, Redinbo, M.R.
登録日2018-04-24
公開日2019-05-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Active site flexibility revealed in crystal structures of Parabacteroides merdae beta-glucuronidase from the human gut microbiome.
Protein Sci., 27, 2018
6C1V
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BU of 6c1v by Molmil
MBD2 in complex with double-stranded DNA
分子名称: 12-mer DNA, Methyl-CpG-binding domain protein 2, UNKNOWN ATOM OR ION
著者Lei, M, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2018-01-05
公開日2018-02-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for the ability of MBD domains to bind methyl-CG and TG sites in DNA.
J. Biol. Chem., 293, 2018
6EL6
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BU of 6el6 by Molmil
Glucocorticoid Receptor in complex with compound 4
分子名称: 1,2-ETHANEDIOL, Glucocorticoid receptor, Nuclear receptor coactivator 2, ...
著者Edman, K, Wissler, L.
登録日2017-09-28
公開日2018-02-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of a Novel Oral Glucocorticoid Receptor Modulator (AZD9567) with Improved Side Effect Profile.
J. Med. Chem., 61, 2018
6EOO
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BU of 6eoo by Molmil
DPP8 - Apo, space group 20
分子名称: Dipeptidyl peptidase 8
著者Ross, B.R, Huber, R.
登録日2017-10-10
公開日2018-02-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures and mechanism of dipeptidyl peptidases 8 and 9, important players in cellular homeostasis and cancer.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6ER3
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BU of 6er3 by Molmil
Ruminococcus gnavus IT-sialidase CBM40 bound to alpha2,3 sialyllactose
分子名称: BNR/Asp-box repeat protein, GLYCEROL, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose
著者Owen, C.D, Tailford, L.E, Taylor, G.L, Juge, N.
登録日2017-10-16
公開日2018-05-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Unravelling the specificity and mechanism of sialic acid recognition by the gut symbiont Ruminococcus gnavus.
Nat Commun, 8, 2017
6ERQ
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BU of 6erq by Molmil
Structure of the human mitochondrial transcription initiation complex at the HSP promoter
分子名称: DNA-directed RNA polymerase, mitochondrial, Dimethyladenosine transferase 2, ...
著者Hillen, H.S, Morozov, Y.I, Sarfallah, A, Temiakov, D, Cramer, P.
登録日2017-10-18
公開日2017-11-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (4.5 Å)
主引用文献Structural Basis of Mitochondrial Transcription Initiation.
Cell, 171, 2017
6BRR
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BU of 6brr by Molmil
Crystal structure of DNMT3A (R836A)-DNMT3L in complex with DNA containing two CpG sites
分子名称: DNA (25-MER), DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3A, ...
著者Zhang, Z.M, Song, J.
登録日2017-11-30
公開日2018-01-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献Structural basis for DNMT3A-mediated de novo DNA methylation.
Nature, 554, 2018
4M6W
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BU of 4m6w by Molmil
Crystal structure of the C-terminal segment of FANCM in complex with FAAP24
分子名称: Fanconi anemia group M protein, Fanconi anemia-associated protein of 24 kDa, SULFATE ION
著者Yang, H, Zhang, T, Tong, L, Ding, J.
登録日2013-08-11
公開日2013-10-02
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural insights into the functions of the FANCM-FAAP24 complex in DNA repair.
Nucleic Acids Res., 41, 2013
6EC6
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BU of 6ec6 by Molmil
Ruminococcus gnavus Beta-glucuronidase
分子名称: Beta-glucuronidase, CHLORIDE ION, GLYCEROL
著者Biernat, K.A, Redinbo, M.R.
登録日2018-08-07
公開日2019-02-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structure, function, and inhibition of drug reactivating human gut microbial beta-glucuronidases.
Sci Rep, 9, 2019
6C4G
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BU of 6c4g by Molmil
Plasmepsin V from Plasmodium vivax bound to a transition state mimetic (WEHI-601)
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Czabotar, P.E, Hodder, A.N, Nguyen, W, Sleebs, B.E, Boddey, J.A, Cowman, A.F.
登録日2018-01-11
公開日2018-06-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Enhanced antimalarial activity of plasmepsin V inhibitors by modification of the P2position of PEXEL peptidomimetics.
Eur J Med Chem, 154, 2018
6DCG
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BU of 6dcg by Molmil
Discovery of MK-8353: An Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology
分子名称: (3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)-N-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1H-indazol-5-yl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION
著者Boga, S.B, Deng, Y, Zhu, L, Nan, Y, Cooper, A, Shipps Jr, G.W, Doll, R, Shih, N, Zhu, H, Sun, R, Wang, T, Paliwal, S, Tsui, H, Gao, X, Yao, X, Desai, J, Wang, J, Alhassan, A.B, Kelly, J, Patel, M, Muppalla, K, Gudipati, S, Zhang, L, Buevich, A, Hesk, D, Carr, D, Dayananth, P, Mei, H, Cox, K, Sherborne, B, Hruza, A.W, Xiao, L, Jin, W, Long, B, Liu, G, Taylor, S.A, Kirschmeier, P, Windsor, W.T, Bishop, R, Samatar, A.A.
登録日2018-05-06
公開日2018-08-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献MK-8353: Discovery of an Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology.
ACS Med Chem Lett, 9, 2018
5E73
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BU of 5e73 by Molmil
Crystal Structure of BAZ2B bromodomain in complex with acetylindole compound UZH47
分子名称: Bromodomain adjacent to zinc finger domain protein 2B, N-(1-acetyl-1H-indol-3-yl)-N-(5-hydroxy-2-methylphenyl)acetamide
著者Lolli, G, Spiliotopoulos, D, Unzue, A, Nevado, C, Caflisch, A.
登録日2015-10-11
公開日2015-10-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献The "Gatekeeper" Residue Influences the Mode of Binding of Acetyl Indoles to Bromodomains.
J. Med. Chem., 59, 2016
5WU1
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BU of 5wu1 by Molmil
Crystal structure of apo human Tut1, form I
分子名称: CHLORIDE ION, Speckle targeted PIP5K1A-regulated poly(A) polymerase
著者Yamashita, S, Tomita, K.
登録日2016-12-16
公開日2017-05-31
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structures of U6 snRNA-specific terminal uridylyltransferase
Nat Commun, 8, 2017
6EL9
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BU of 6el9 by Molmil
Glucocorticoid Receptor in complex with AZD9567
分子名称: 1,2-ETHANEDIOL, 2,2-bis(fluoranyl)-~{N}-[(1~{R},2~{S})-3-methyl-1-[1-(1-methyl-6-oxidanylidene-pyridin-3-yl)indazol-5-yl]oxy-1-phenyl-butan-2-yl]propanamide, Glucocorticoid receptor, ...
著者Edman, K, Wissler, L.
登録日2017-09-28
公開日2018-02-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Discovery of a Novel Oral Glucocorticoid Receptor Modulator (AZD9567) with Improved Side Effect Profile.
J. Med. Chem., 61, 2018
2OZA
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BU of 2oza by Molmil
Structure of p38alpha complex
分子名称: MAP kinase-activated protein kinase 2, Mitogen-activated protein kinase 14
著者White, A, Pargellis, C.A, Studts, J.M, Werneburg, B.G, Farmer II, B.T.
登録日2007-02-25
公開日2007-04-03
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular basis of MAPK-activated protein kinase 2:p38 assembly
Proc.Natl.Acad.Sci.Usa, 104, 2007
6H0M
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BU of 6h0m by Molmil
17beta-hydroxysteroid dehydrogenase type 14 mutant K158A in complex with Nicotinamide Adenine Dinucleotide
分子名称: 17-beta-hydroxysteroid dehydrogenase 14, DIMETHYL SULFOXIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Badran, M, Klebe, G, Heine, A, Marchais-Oberwinkler, S.
登録日2018-07-10
公開日2019-07-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献17beta-hydroxysteroid dehydrogenase type 14 mutant K158A in complex with Nicotinamide Adenine Dinucleotide
To Be Published

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件を2024-07-17に公開中

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