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7LYU
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Reelin repeat 8
分子名称: CALCIUM ION, Reelin, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Turk, L.S, Comoletti, D.
登録日2021-03-08
公開日2022-06-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of Reelin repeat 8 and the adjacent C-terminal region.
Biophys.J., 121, 2022
7Q93
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Crystal Structure of Agrobacterium tumefaciens NADQ, NAD complex.
分子名称: GLYCEROL, NADQ transcription factor, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Cianci, M, Minazzato, G, Heroux, A, Raffaelli, N, Sorci, L, Gasparrini, M.
登録日2021-11-11
公開日2022-11-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Bacterial NadQ (COG4111) is a Nudix-like, ATP-responsive regulator of NAD biosynthesis.
J.Struct.Biol., 214, 2022
7LV3
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BU of 7lv3 by Molmil
Crystal structure of human protein kinase G (PKG) R-C complex in inhibited state
分子名称: 1,2-ETHANEDIOL, Isoform Beta of cGMP-dependent protein kinase 1, MANGANESE (II) ION, ...
著者Sharma, R, Lying, Q, Casteel, D, Kim, C.
登録日2021-02-23
公開日2022-08-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献An auto-inhibited state of protein kinase G and implications for selective activation.
Elife, 11, 2022
8DGP
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BU of 8dgp by Molmil
14-3-3 epsilon bound to phosphorylated PEAK3 (pS69) peptide
分子名称: 1,2-ETHANEDIOL, 14-3-3 protein epsilon, Phosphorylated PEAK3 (pS69) peptide, ...
著者Roy, M.J, Hardy, J.M, Lucet, I.S.
登録日2022-06-24
公開日2023-06-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural mapping of PEAK pseudokinase interactions identifies 14-3-3 as a molecular switch for PEAK3 signaling.
Nat Commun, 14, 2023
7QTW
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Kaposi sarcoma associated herpes virus(KSHV) encoded apoptosis inhibitor, KsBcl-2 in complex with Bid BH3
分子名称: 1,2-ETHANEDIOL, BH3-interacting domain death agonist p15, Bcl-2
著者Suraweera, C.D, Hinds, M.G, Kvansakul, M.
登録日2022-01-17
公開日2022-11-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Structural Insight into KsBcl-2 Mediated Apoptosis Inhibition by Kaposi Sarcoma Associated Herpes Virus.
Viruses, 14, 2022
7Q5F
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BU of 7q5f by Molmil
Crystal structure of F2F-2020216-01X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2.
分子名称: (S)-1-(2-(2,4-dichlorophenoxy)acetyl)-N-((S)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)-4-(phenethylamino)butan-2-yl)pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, 3C-like proteinase, ...
著者Costanzi, E, Demitri, N, Storici, P.
登録日2021-11-03
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Easy access to alpha-ketoamides as SARS-CoV-2 and MERS M pro inhibitors via the PADAM oxidation route.
Eur.J.Med.Chem., 244, 2022
7M97
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BU of 7m97 by Molmil
Crystal structure of the bromodomain from Plasmodium falciparum bromodomain protein 1
分子名称: Bromodomain protein 1
著者Glass, K.C.
登録日2021-03-30
公開日2021-05-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the bromodomain from Plasmodium falciparum bromodomain protein 1
To Be Published
6U6B
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BU of 6u6b by Molmil
Structure of human DNA polymerase beta misinserting dAMPNPP opposite the 5'G of the cisplatin Pt-GG intrastrand crosslink with Manganese in the active site
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, Cisplatin, DNA (5'-D(*CP*CP*CP*AP*CP*GP*GP*CP*CP*CP*AP*TP*CP*AP*CP*C)-3'), ...
著者Ouzon-Shubeita, H, Vilas, C.K, Lee, S.
登録日2019-08-29
公開日2020-09-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.108 Å)
主引用文献Structural insights into the promutagenic bypass of the major cisplatin-induced DNA lesion.
Biochem.J., 477, 2020
7MHV
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BU of 7mhv by Molmil
Crystal Structure of Cysteine desulfurase NifS from Legionella pneumophila Philadelphia 1 in complex with pyridoxal 5'-phosphate
分子名称: 1,2-ETHANEDIOL, Cysteine desulfurase, PHOSPHATE ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2021-04-15
公開日2021-05-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal Structure of Cysteine desulfurase NifS from Legionella pneumophila Philadelphia 1 in complex with pyridoxal 5'-phosphate
to be published
7QA3
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BU of 7qa3 by Molmil
Crystal structure of PqsR (MvfR) ligand-binding domain in complex with compound N-((2-(4-phenoxyphenyl)thiazol-5-yl)methyl)-2-(trifluoromethyl)pyridin-4-amine
分子名称: Multiple virulence factor regulator MvfR, N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
著者Schmelz, S, Blankenfeldt, W.
登録日2021-11-15
公開日2022-11-23
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Discovery and Optimization of Thiazole-Based Quorum Sensing Inhibitors as Potent Blockers of Pseudomonas Aeruginosa Pathogenicity
Ssrn, 2024
7CLX
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BU of 7clx by Molmil
Crystal structure of the DOCK8 DHR-1 domain
分子名称: Dedicator of cytokinesis protein 8
著者Kukimoto-Niino, M, Shirouzu, M, Yokoyama, S, Fukui, Y, Uruno, T.
登録日2020-07-22
公開日2021-02-10
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A conserved PI(4,5)P2-binding domain is critical for immune regulatory function of DOCK8.
Life Sci Alliance, 4, 2021
7M10
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BU of 7m10 by Molmil
PHF2 PHD Domain Complexed with Peptide From N-terminus of VRK1
分子名称: FORMIC ACID, Lysine-specific demethylase PHF2, Serine/threonine-protein kinase VRK1 N-terminus peptide, ...
著者Horton, J.R, Cheng, X.
登録日2021-03-11
公開日2021-05-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Histone H3 N-terminal mimicry drives a novel network of methyl-effector interactions.
Biochem.J., 478, 2021
7CLY
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BU of 7cly by Molmil
Structure of the DOCK8 DHR-1 domain crystallized with di-C8-phosphatidylinositol-(4,5)-bisphosphate
分子名称: Dedicator of cytokinesis protein 8
著者Kukimoto-Niino, M, Shirouzu, M, Yokoyama, S, Fukui, Y, Uruno, T.
登録日2020-07-22
公開日2021-02-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.432 Å)
主引用文献A conserved PI(4,5)P2-binding domain is critical for immune regulatory function of DOCK8.
Life Sci Alliance, 4, 2021
6TWL
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BU of 6twl by Molmil
Apo structure of the Ectoine utilization protein EutE (DoeB) from Ruegeria pomeroyi
分子名称: N-acetyl-L-2,4-diaminobutyric acid deacetylase
著者Mais, C.-N, Altegoer, F, Bange, G.
登録日2020-01-13
公開日2020-05-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Degradation of the microbial stress protectants and chemical chaperones ectoine and hydroxyectoine by a bacterial hydrolase-deacetylase complex.
J.Biol.Chem., 295, 2020
7QTX
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BU of 7qtx by Molmil
Kaposi sarcoma associated herpes virus (KSHV) encoded apoptosis inhibitor, KsBcl-2 in complex with Puma BH3
分子名称: 1,2-ETHANEDIOL, BROMIDE ION, Bcl-2, ...
著者Suraweera, C.D, Hinds, M.G, Kvansakul, M.
登録日2022-01-17
公開日2022-11-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.11598849 Å)
主引用文献Structural Insight into KsBcl-2 Mediated Apoptosis Inhibition by Kaposi Sarcoma Associated Herpes Virus.
Viruses, 14, 2022
7Q5E
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BU of 7q5e by Molmil
Crystal structure of F2F-2020209-00X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2.
分子名称: 3C-like proteinase, CHLORIDE ION, SODIUM ION, ...
著者Costanzi, E, Demitri, N, Storici, P.
登録日2021-11-03
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Easy access to alpha-ketoamides as SARS-CoV-2 and MERS M pro inhibitors via the PADAM oxidation route.
Eur.J.Med.Chem., 244, 2022
7MQW
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BU of 7mqw by Molmil
Histidine triad protein
分子名称: HIT family protein, SULFATE ION
著者Ghosh, S, Goldgur, Y, Shuman, S.
登録日2021-05-06
公開日2021-05-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Histidine triad protein
Unpublished
6TX6
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BU of 6tx6 by Molmil
CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH NICOTINAMIDE
分子名称: CHLORIDE ION, NICOTINAMIDE, Peptidyl-prolyl cis-trans isomerase FKBP5, ...
著者Fiegen, D, Draxler, S.W.
登録日2020-01-13
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51.
J.Med.Chem., 63, 2020
8CTN
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BU of 8ctn by Molmil
Structure of a K+ selective NaK mutant (NaK2K, Laue diffraction, no electric field)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein, ...
著者Lee, B, White, K.I, Socolich, M.A, Klureza, M.A, Henning, R, Srajer, V, Ranganathan, R, Hekstra, D.
登録日2022-05-16
公開日2023-06-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Direct visualization of electric field-stimulated ion conduction in a potassium channel
To Be Published
8QFC
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BU of 8qfc by Molmil
UFL1 E3 ligase bound 60S ribosome
分子名称: 60S ribosomal protein L10a, CDK5 regulatory subunit-associated protein 3, DDRGK domain-containing protein 1, ...
著者Makhlouf, L, Zeqiraj, E, Kulathu, Y.
登録日2023-09-04
公開日2024-02-21
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献The UFM1 E3 ligase recognizes and releases 60S ribosomes from ER translocons.
Nature, 627, 2024
8CTW
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BU of 8ctw by Molmil
Crystal structure of a K+ selective NaK mutant (NaK2K) -Na+,Tl+ complex
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Potassium channel protein, SODIUM ION, ...
著者Lee, B, White, K.I, Socolich, M.A, Klureza, M.A, Henning, R, Srajer, V, Ranganathan, R, Hekstra, D.
登録日2022-05-16
公開日2023-06-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Direct visualization of electric field-stimulated ion conduction in a potassium channel
To Be Published
8CTT
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BU of 8ctt by Molmil
Crystal structure of a K+ selective NaK mutant (NaK2K) at 100K
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein
著者Lee, B, White, K.I, Socolich, M.A, Klureza, M.A, Henning, R, Srajer, V, Ranganathan, R, Hekstra, D.
登録日2022-05-16
公開日2023-06-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Direct visualization of electric field-stimulated ion conduction in a potassium channel
To Be Published
8D52
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BU of 8d52 by Molmil
Parathyroid hormone 1 receptor extracellular domain complexed with a peptide ligand containing (2-naphthyl)-beta-3-homoalanine
分子名称: 1,2-ETHANEDIOL, PTHrP[1-36], Parathyroid hormone/parathyroid hormone-related peptide receptor, ...
著者Yu, Z, Kreitler, D.F, Gellman, S.H.
登録日2022-06-03
公開日2023-06-14
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Harnessing Aromatic-Histidine Interactions through Synergistic Backbone Extension and Side Chain Modification.
Angew.Chem.Int.Ed.Engl., 62, 2023
7MI1
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BU of 7mi1 by Molmil
X-ray structure of yeast dynein motor domain in the presence of a pyrazolo-pyrimidinone-based compound (compound 20)
分子名称: Chimera protein of Dynein and Endolysin
著者Santarossa, C.C, Ekiert, D.C, Bhabha, G, Kapoor, T.M.
登録日2021-04-16
公開日2021-05-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (4.5 Å)
主引用文献Targeting allostery in the Dynein motor domain with small molecule inhibitors.
Cell Chem Biol, 28, 2021
8QYJ
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BU of 8qyj by Molmil
Human 20S proteasome assembly structure 1
分子名称: Proteasome assembly chaperone 1, Proteasome assembly chaperone 2, Proteasome assembly chaperone 3, ...
著者Schulman, B.A, Hanna, J.W, Harper, J.W, Adolf, F, Du, J, Rawson, S.D, Walsh Jr, R.M, Goodall, E.A.
登録日2023-10-26
公開日2024-02-21
最終更新日2024-08-28
実験手法ELECTRON MICROSCOPY (2.73 Å)
主引用文献Visualizing chaperone-mediated multistep assembly of the human 20S proteasome.
Nat.Struct.Mol.Biol., 31, 2024

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件を2024-10-16に公開中

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