7PUI
 
 | | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 2-pyridineboronic acid | | 分子名称: | Cholinephosphate cytidylyltransferase, pyridin-2-ylboronic acid | | 著者 | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | | 登録日 | 2021-09-30 | | 公開日 | 2022-10-05 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | | 主引用文献 | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors.
To Be Published
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8P9R
 | | Structure of the periplasmic domain of ExbD from E. coli in complex with TonB | | 分子名称: | Biopolymer transport protein ExbD, Protein TonB | | 著者 | Zinke, M, Mechaly, A, Lejeune, M, Haouz, A, Izadi-Pruneyre, N. | | 登録日 | 2023-06-06 | | 公開日 | 2023-09-06 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | | 主引用文献 | Ton motor conformational switch and peptidoglycan role in bacterial nutrient uptake.
Nat Commun, 15, 2024
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5KM1
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6MA3
 | | Crystal structure of human O-GlcNAc transferase bound to a peptide from HCF-1 pro-repeat 2 (11-26) and inhibitor 2a | | 分子名称: | 4-{2-[(1R)-2-{(carboxymethyl)[(thiophen-2-yl)methyl]amino}-2-oxo-1-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}ethyl]phenoxy}butanoic acid, Host Cell Factor 1 peptide, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit | | 著者 | Martin, S.E.S, Lazarus, M.B, Walker, S. | | 登録日 | 2018-08-25 | | 公開日 | 2018-10-17 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure-Based Evolution of Low Nanomolar O-GlcNAc Transferase Inhibitors.
J. Am. Chem. Soc., 140, 2018
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5V8I
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7PVE
 | | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 4-bromo-1H-imidazole | | 分子名称: | 4-bromo-1H-imidazole, Cholinephosphate cytidylyltransferase | | 著者 | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | | 登録日 | 2021-10-02 | | 公開日 | 2022-10-05 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | | 主引用文献 | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors
To Be Published
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8CCC
 | | The Fk1 domain of FKBP51 in complex with 2-(3-((R)-1-(((S)-1-((S)-2-(5-chlorothiophen-2-yl)propanoyl)piperidine-2-carbonyl)oxy)-3-(3,4-dimethoxyphenyl)propyl)phenoxy)acetic acid | | 分子名称: | 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)propanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid, Peptidyl-prolyl cis-trans isomerase FKBP5 | | 著者 | Meyners, C, Knaup, F.H, Walz, C.M, Hausch, F. | | 登録日 | 2023-01-27 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Structure-Based Discovery of a New Selectivity-Enabling Motif for the FK506-Binding Protein 51.
J.Med.Chem., 66, 2023
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5KMA
 | | Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) H112N mutant nucleoside D-Trp phosphoramidate substrate complex | | 分子名称: | CHLORIDE ION, Histidine triad nucleotide-binding protein 1, [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-ethyl-phosphonamidic acid | | 著者 | Maize, K.M, Finzel, B.C. | | 登録日 | 2016-06-26 | | 公開日 | 2017-06-28 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides.
Mol. Pharm., 14, 2017
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8OFR
 | | Human adenovirus type 25 fiber-knob protein complexed with sialic acid | | 分子名称: | Fiber, N-acetyl-beta-neuraminic acid | | 著者 | Rizkallah, P.J, Parker, A.L, Mundy, R.M, Baker, A.T. | | 登録日 | 2023-03-16 | | 公開日 | 2023-09-20 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | | 主引用文献 | Broad sialic acid usage amongst species D human adenovirus.
Npj Viruses, 1, 2023
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6MAK
 | | HBO1 is required for the maintenance of leukaemia stem cells | | 分子名称: | ACETYL COENZYME *A, BRD1 protein, Histone acetyltransferase KAT7, ... | | 著者 | Ren, B, Peat, T.S, Monahan, B, Dawson, M, Street, I. | | 登録日 | 2018-08-27 | | 公開日 | 2019-12-25 | | 最終更新日 | 2020-01-22 | | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | | 主引用文献 | HBO1 is required for the maintenance of leukaemia stem cells.
Nature, 577, 2020
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7MZQ
 | | Crystal structure of the UcaD lectin-binding domain in complex with fucose | | 分子名称: | CHLORIDE ION, Fimbrial adhesin UcaD, beta-L-fucopyranose | | 著者 | Ve, T, Lo, A.W, Schembri, M.A, Kobe, B. | | 登録日 | 2021-05-24 | | 公開日 | 2022-07-06 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Ucl fimbriae regulation and glycan receptor specificity contribute to gut colonisation by extra-intestinal pathogenic Escherichia coli.
Plos Pathog., 18, 2022
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7PVG
 | | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with isonicotinic acid | | 分子名称: | Cholinephosphate cytidylyltransferase, pyridine-4-carboxylic acid | | 著者 | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | | 登録日 | 2021-10-02 | | 公開日 | 2022-10-05 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors
To Be Published
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7W09
 | | UGT74AN2, Plant Steroid Glycosyltransferase | | 分子名称: | Glycosyltransferase | | 著者 | Wei, H, Feng, L. | | 登録日 | 2021-11-18 | | 公開日 | 2022-03-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Functional and Structural Dissection of a Plant Steroid 3-O-Glycosyltransferase Facilitated the Engineering Enhancement of Sugar Donor Promiscuity
Acs Catalysis, 2022
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7MWH
 | | 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
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5EVK
 | | Crystal structure of the metallo-beta-lactamase L1 in complex with the bisthiazolidine inhibitor L-CS319 | | 分子名称: | (3R,5R,7aS)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ... | | 著者 | Hinchliffe, P, Spencer, J. | | 登録日 | 2015-11-19 | | 公開日 | 2016-06-01 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.627 Å) | | 主引用文献 | Cross-class metallo-beta-lactamase inhibition by bisthiazolidines reveals multiple binding modes.
Proc.Natl.Acad.Sci.USA, 113, 2016
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6MDF
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8OJM
 | | Galectin-3 in complex with 2,6-anhydro-3-deoxy-3-S-(beta-D-galactopyranosyl)-3-thio-D-glycero-D-galacto-heptonamide | | 分子名称: | (2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxane-2-carboxamide, 1-thio-beta-D-galactopyranose, Galectin-3, ... | | 著者 | Tsagkarakou, A.S, Leonidas, D.D. | | 登録日 | 2023-03-24 | | 公開日 | 2023-09-13 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Strong Binding of C -Glycosylic1,2-Thiodisaccharides to Galectin-3─Enthalpy-Driven Affinity Enhancement by Water-Mediated Hydrogen Bonds.
J.Med.Chem., 66, 2023
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7W0K
 | | plant glycosyltransferase | | 分子名称: | GLYCEROL, Glycosyltransferase, URIDINE-5'-DIPHOSPHATE | | 著者 | Wei, H, Feng, L. | | 登録日 | 2021-11-18 | | 公開日 | 2022-03-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Functional and Structural Dissection of a Plant Steroid 3-O-Glycosyltransferase Facilitated the Engineering Enhancement of Sugar Donor Promiscuity
Acs Catalysis, 2022
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8OFS
 | | Human adenovirus type 30 fiber-knob protein complexed with sialic acid | | 分子名称: | Fiber, N-acetyl-beta-neuraminic acid | | 著者 | Rizkallah, P.J, Parker, A.L, Mundy, R.M, Baker, A.T. | | 登録日 | 2023-03-16 | | 公開日 | 2023-09-20 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.56 Å) | | 主引用文献 | Broad sialic acid usage amongst species D human adenovirus.
Npj Viruses, 1, 2023
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7PJO
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7MZO
 | | Crystal structure of the UcaD lectin-binding domain | | 分子名称: | CHLORIDE ION, Fimbrial adhesin UcaD | | 著者 | Ve, T, Lo, A.W, Schembri, M.A, Kobe, B. | | 登録日 | 2021-05-24 | | 公開日 | 2022-07-06 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Ucl fimbriae regulation and glycan receptor specificity contribute to gut colonisation by extra-intestinal pathogenic Escherichia coli.
Plos Pathog., 18, 2022
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6MEK
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7W1H
 | | glycosyltransferase | | 分子名称: | Glycosyltransferase, URIDINE-5'-DIPHOSPHATE-GLUCOSE | | 著者 | Wei, H, Feng, L. | | 登録日 | 2021-11-19 | | 公開日 | 2022-03-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Functional and Structural Dissection of a Plant Steroid 3-O-Glycosyltransferase Facilitated the Engineering Enhancement of Sugar Donor Promiscuity
Acs Catalysis, 2022
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8OK4
 | | Variant Surface Glycoprotein VSG11wt-Oil | | 分子名称: | Variant surface glycoprotein, alpha-D-glucopyranose, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | 著者 | Zeelen, J.P, Stebbins, C.E, Aresta-Branco, F, Foti, K. | | 登録日 | 2023-03-27 | | 公開日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.23 Å) | | 主引用文献 | A structural classification of the variant surface glycoproteins of the African trypanosomey.
Plos Negl Trop Dis, 17, 2023
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7N91
 | | P70 S6K1 IN COMPLEX WITH MSC2317067A-1 | | 分子名称: | 4-{[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino}quinazoline-8-carboxamide, Ribosomal protein S6 kinase beta-1 | | 著者 | Mochalkin, I. | | 登録日 | 2021-06-16 | | 公開日 | 2022-07-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Identification of Clinical Candidate M2698, a Dual p70S6K and Akt Inhibitor, for Treatment of PAM Pathway-Altered Cancers.
J.Med.Chem., 64, 2021
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