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4U10
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Probing the structure and mechanism of de-N-acetylase from aggregatibacter actinomycetemcomitans
分子名称: CHLORIDE ION, Poly-beta-1,6-N-acetyl-D-glucosamine N-deacetylase, ZINC ION
著者Varudharasu, D, Narayanan, R.
登録日2014-07-14
公開日2015-01-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Probing the structure and mechanism of de-N-acetylase from aggregatibacter actinomycetemcomitans
To Be Published
7N7A
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BU of 7n7a by Molmil
crystal structure of the dTDP-Qui3N N-formyltransferase from Helicobacter canadensis, apo form
分子名称: 1,2-ETHANEDIOL, Formyl_trans_N domain-containing protein
著者Heisdorf, C.J, Thoden, J.B, Holden, H.M.
登録日2021-06-10
公開日2021-06-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Investigation of the enzymes required for the biosynthesis of an unusual formylated sugar in the emerging human pathogen Helicobacter canadensis.
Protein Sci., 30, 2021
8EKB
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Crystal structure of the Thermus thermophilus 70S ribosome in complex with mRNA, deacylated P-site tRNAmet, and thermorubin at 2.70A resolution
分子名称: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
著者Paranjpe, M.N, Polikanov, Y.S.
登録日2022-09-20
公開日2022-12-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Insights into the molecular mechanism of translation inhibition by the ribosome-targeting antibiotic thermorubin.
Nucleic Acids Res., 51, 2023
7N67
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Crystal structure of HCAN_0198, a 3,4-ketoisomerase from Helicobacter canadensis
分子名称: FdtA domain-containing protein, TETRAMETHYLAMMONIUM ION, THYMIDINE-5'-DIPHOSPHATE
著者Heisdorf, C.J, Griffiths, W.A, Thoden, J.B, Holden, H.M.
登録日2021-06-07
公開日2021-06-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Investigation of the enzymes required for the biosynthesis of an unusual formylated sugar in the emerging human pathogen Helicobacter canadensis.
Protein Sci., 30, 2021
4UA9
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CTX-M-14 Class A Beta-Lactamase in Complex with a Boronic Acid Acylation Transition State Analog at Sub-Angstrom Resolution
分子名称: Beta-lactamase CTX-M-14, PHOSPHATE ION, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE
著者Nichols, D.A, Chen, Y.
登録日2014-08-08
公開日2015-06-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (0.84 Å)
主引用文献Ligand-Induced Proton Transfer and Low-Barrier Hydrogen Bond Revealed by X-ray Crystallography.
J.Am.Chem.Soc., 137, 2015
7N7C
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crystal structure of the N-formyltransferase HCAN_0200 from helicobacter canadensis in complex with folinic acid and dTDP-3-aminoquinovose
分子名称: 1,2-ETHANEDIOL, Formyl_trans_N domain-containing protein, N-{[4-({[(6R)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid, ...
著者Heisdorf, C.J, Thoden, J.B, Holden, H.M.
登録日2021-06-10
公開日2021-06-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Investigation of the enzymes required for the biosynthesis of an unusual formylated sugar in the emerging human pathogen Helicobacter canadensis.
Protein Sci., 30, 2021
8BEC
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BU of 8bec by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with pT1375 scFV
分子名称: SULFATE ION, Spike protein S1, alpha-D-mannopyranose-(1-3)-[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, ...
著者Hansen, G, Ssebyatika, G.L, Krey, T.
登録日2022-10-21
公開日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Activity of broadly neutralizing antibodies against sarbecoviruses: a trade-off between SARS-CoV-2 variants and distant coronaviruses?
To be published
7N6Z
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Crystal Structure of PI5P4KIIAlpha
分子名称: Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha, SULFATE ION
著者Chen, S, Ha, Y.
登録日2021-06-09
公開日2021-06-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Pharmacological inhibition of PI5P4K alpha / beta disrupts cell energy metabolism and selectively kills p53-null tumor cells.
Proc.Natl.Acad.Sci.USA, 118, 2021
7N7N
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Crystal Structure of PI5P4KIIAlpha complex with Volasertib
分子名称: N-{trans-4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl}-4-{[(7R)-7-ethyl-5-methyl-8-(1-methylethyl)-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxybenzamide, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha, SULFATE ION
著者Chen, S, Ha, Y.
登録日2021-06-10
公開日2021-06-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Pharmacological inhibition of PI5P4K alpha / beta disrupts cell energy metabolism and selectively kills p53-null tumor cells.
Proc.Natl.Acad.Sci.USA, 118, 2021
7NLY
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Crystal structure of Mycobacterium tuberculosis ArgB in complex with 2-Chlorobenzimidazole.
分子名称: 2-chloranyl-1~{H}-benzimidazole, Acetylglutamate kinase, SULFATE ION
著者Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L.
登録日2021-02-22
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.246 Å)
主引用文献A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
4U3V
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BU of 4u3v by Molmil
Crystal structure of the trans-acyltransferase polyketide synthase enoyl-isomerase
分子名称: Polyketide synthase PksR
著者Gay, D.C, Spear, P.J, Keatinge-Clay, A.T.
登録日2014-07-22
公開日2014-08-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献A Double-Hotdog with a New Trick: Structure and Mechanism of the trans-Acyltransferase Polyketide Synthase Enoyl-isomerase.
Acs Chem.Biol., 9, 2014
7N7O
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Crystal Structure of PI5P4KIIAlpha complex with Palbociclib
分子名称: 6-ACETYL-8-CYCLOPENTYL-5-METHYL-2-[(5-PIPERAZIN-1-YLPYRIDIN-2-YL)AMINO]PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha, SULFATE ION
著者Chen, S, Ha, Y.
登録日2021-06-10
公開日2021-06-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Pharmacological inhibition of PI5P4K alpha / beta disrupts cell energy metabolism and selectively kills p53-null tumor cells.
Proc.Natl.Acad.Sci.USA, 118, 2021
6XYR
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BU of 6xyr by Molmil
Structure of the T4Lnano fusion protein
分子名称: CALCIUM ION, CHLORIDE ION, GLYCEROL, ...
著者Benoit, R.M, Bierig, T, Collu, C, Engilberge, S, Olieric, V.
登録日2020-01-31
公開日2020-12-09
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.079 Å)
主引用文献Chimeric single alpha-helical domains as rigid fusion protein connections for protein nanotechnology and structural biology.
Structure, 30, 2022
7NLS
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Crystal structure of Mycobacterium tuberculosis ArgB in complex with methyl 4-hydroxy-3-iodobenzoate
分子名称: Acetylglutamate kinase, SULFATE ION, methyl 3-iodanyl-4-oxidanyl-benzoate
著者Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L.
登録日2021-02-22
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.648 Å)
主引用文献A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
7SJQ
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BU of 7sjq by Molmil
Ex silico engineering of cystine-dense peptides yielding a potent bispecific T-cell engager
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cystine-dense peptide, GLYCEROL, ...
著者Rupert, P.B, Strong, R.
登録日2021-10-18
公開日2022-06-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Ex silico engineering of cystine-dense peptides yielding a potent bispecific T cell engager.
Sci Transl Med, 14, 2022
4U4L
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Crystal structure of the metallo-beta-lactamase NDM-1 in complex with a bisthiazolidine inhibitor
分子名称: (3R,5R,7aS)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, Beta-lactamase NDM-1, GLYCEROL, ...
著者Kosmopoulou, M, Hinchliffe, P, Spencer, J.
登録日2014-07-23
公開日2014-08-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the metallo-beta-lactamase NDM-1 in complex with a bisthiazolidine inhibitor
To Be Published
7NNQ
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Crystal structure of Mycobacterium tuberculosis ArgC in complex with nicotinamide adenine dinucleotide phosphate (NADP+)
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-acetyl-gamma-glutamyl-phosphate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Gupta, P, Mendes, V, Blundell, T.L.
登録日2021-02-25
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
4U85
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Human Pin1 with cysteine sulfinic acid 113
分子名称: POLYETHYLENE GLYCOL (N=34), Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
著者Li, W, Zhang, Y.
登録日2014-08-01
公開日2015-04-08
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Pin1 cysteine-113 oxidation inhibits its catalytic activity and cellular function in Alzheimer's disease.
Neurobiol.Dis., 76, 2015
7NLT
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Crystal structure of Mycobacterium tuberculosis ArgB in complex with 4-(4-methylpiperazin-1-yl)benzoic acid
分子名称: 4-(4-methylpiperazin-1-yl)benzoic acid, Acetylglutamate kinase, SULFATE ION
著者Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L.
登録日2021-02-22
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.225 Å)
主引用文献A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
7N7J
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Crystal Structure of PI5P4KIIAlpha complex with AMPPNP
分子名称: MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha, ...
著者Chen, S, Ha, Y.
登録日2021-06-10
公開日2021-06-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Pharmacological inhibition of PI5P4K alpha / beta disrupts cell energy metabolism and selectively kills p53-null tumor cells.
Proc.Natl.Acad.Sci.USA, 118, 2021
7NNB
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Crystal structure of Mycobacterium tuberculosis ArgB in complex with 2,8-bis(trifluoromethyl)quinolin-4-ol.
分子名称: 1,2-ETHANEDIOL, 2,8-bis(trifluoromethyl)quinolin-4-ol, Acetylglutamate kinase, ...
著者Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L.
登録日2021-02-24
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.186 Å)
主引用文献A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
4U75
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HsMetAP (F309M) in complex with Methionine
分子名称: COBALT (II) ION, GLYCEROL, METHIONINE, ...
著者Arya, T, Addlagatta, A.
登録日2014-07-30
公開日2015-03-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
J.Med.Chem., 58, 2015
7NLQ
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Crystal structure of Mycobacterium tuberculosis ArgB in complex with 2-(isoxazol-5-yl)phenol
分子名称: 2-(1,2-oxazol-5-yl)phenol, Acetylglutamate kinase, SULFATE ION
著者Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L.
登録日2021-02-22
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.497 Å)
主引用文献A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
4U88
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Structure of the DNA-Binding Domain of the Response Regulator SaeR from Staphylococcus aureus
分子名称: Transcriptional regulator SaeR
著者Liu, J.S, Huang, C.H, Yang, C.S, Chen, S.C, Chen, Y.
登録日2014-08-01
公開日2015-08-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.355 Å)
主引用文献Structure of the DNA-Binding Domain of the Response Regulator SaeR from Staphylococcus aureus
To Be Published
7NPH
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Crystal structure of Mycobacterium tuberculosis ArgC in complex with 5-methoxy-1,3-benzoxazole-2-carboxylic acid
分子名称: 5-methoxy-1,3-benzoxazole-2-carboxylic acid, N-acetyl-gamma-glutamyl-phosphate reductase, PHOSPHATE ION
著者Gupta, P, Mendes, V, Blundell, T.L.
登録日2021-02-26
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021

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件を2024-08-21に公開中

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