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8HMS
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Crystal Structure of PKM2 mutant C474S
分子名称: 1,2-ETHANEDIOL, 1,6-di-O-phosphono-beta-D-fructofuranose, GLYCEROL, ...
著者Upadhyay, S, Kumar, A, Patel, A.K.
登録日2022-12-05
公開日2023-01-11
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and mechanistic insights into cancer patient-derived mutations in Pyruvate Kinase muscle isoform 2
To Be Published
5JZS
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HsaD bound to 3,5-dichloro-4-hydroxybenzoic acid
分子名称: 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase BphD, 3,5-dichloro-4-hydroxybenzoic acid
著者Ryan, A, Polycarpou, E, Lack, N, Evangelopoulos, D, Sieg, C, Halman, A, Bhakta, S, Sinclair, A, Eleftheriadou, O, McHugh, T.D, Keany, S, Lowe, E.D, Ballet, R, Abuhammad, A, Ciulli, A, Sim, E.
登録日2016-05-17
公開日2017-04-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Investigation of the mycobacterial enzyme HsaD as a potential novel target for anti-tubercular agents using a fragment-based drug design approach.
Br. J. Pharmacol., 174, 2017
8HMQ
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BU of 8hmq by Molmil
Crystal Structure of PKM2 mutant P403A
分子名称: 1,2-ETHANEDIOL, 1,6-di-O-phosphono-beta-D-fructofuranose, GLYCEROL, ...
著者Upadhyay, S, Kumar, A, Patel, A.K.
登録日2022-12-05
公開日2023-01-11
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural and mechanistic insights into cancer patient-derived mutations in Pyruvate Kinase muscle isoform 2
To Be Published
8HMR
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BU of 8hmr by Molmil
Crystal Structure of PKM2 mutant L144P
分子名称: 1,2-ETHANEDIOL, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ...
著者Upadhyay, S, Kumar, A, Patel, A.K.
登録日2022-12-05
公開日2023-01-11
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural and mechanistic insights into cancer patient-derived mutations in Pyruvate Kinase muscle isoform 2
To Be Published
5JX8
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BU of 5jx8 by Molmil
New improved structure of D4 in trigonal space group
分子名称: GLYCEROL, SULFATE ION, Uracil-DNA glycosylase
著者Schormann, N, Chattopadhyay, D.
登録日2016-05-12
公開日2017-02-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Poxvirus uracil-DNA glycosylase-An unusual member of the family I uracil-DNA glycosylases.
Protein Sci., 25, 2016
8IC6
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BU of 8ic6 by Molmil
exo-beta-D-arabinanase ExoMA2 from Microbacterium arabinogalactanolyticum in complex with Tris
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者Fukushima, R, Kashima, T, Ishiwata, A, Fujita, K, Fushinobu, S.
登録日2023-02-10
公開日2023-08-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Identification and characterization of endo-alpha-, exo-alpha-, and exo-beta-D-arabinofuranosidases degrading lipoarabinomannan and arabinogalactan of mycobacteria.
Nat Commun, 14, 2023
8I30
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BU of 8i30 by Molmil
Crystal structure of the SARS-CoV-2 main protease in complex with 32j
分子名称: (2~{R})-1-[4,4-bis(fluoranyl)cyclohexyl]carbonyl-4,4-bis(fluoranyl)-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]pyrrolidine-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION
著者Zeng, R, Huang, C, Xie, L.W, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J.
登録日2023-01-16
公開日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery and structure-activity relationship studies of novel alpha-ketoamide derivatives targeting the SARS-CoV-2 main protease.
Eur.J.Med.Chem., 259, 2023
5JYE
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BU of 5jye by Molmil
Structures of Streptococcus agalactiae GBS GAPDH in different enzymatic states
分子名称: Glyceraldehyde-3-phosphate dehydrogenase, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Schormann, N, Chattopadhyay, D.
登録日2016-05-13
公開日2016-12-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Crystal Structures of Group B Streptococcus Glyceraldehyde-3-Phosphate Dehydrogenase: Apo-Form, Binary and Ternary Complexes.
PLoS ONE, 11, 2016
5K29
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Trypanosoma brucei bromodomain BDF5 (Tb427tmp.01.5000)
分子名称: UNKNOWN ATOM OR ION, uncharacterized protein BDF5
著者Lin, Y.H, Tempel, W, Walker, J.R, Loppnau, P, Amani, M, Hou, C.F.D, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Hui, R, Structural Genomics Consortium (SGC)
登録日2016-05-18
公開日2016-07-13
最終更新日2016-11-02
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Trypanosoma brucei bromodomain BDF5 (Tb427tmp.01.5000)
To Be Published
8IC8
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Exo-alpha-D-arabinofuranosidase from Microbacterium arabinogalactanolyticum
分子名称: Exo-alpha-D-arabinofuranosidase, PHOSPHATE ION
著者Kashima, T, Arakawa, T, Yamada, C, Ishiwata, A, Fujita, K, Fushinobu, S.
登録日2023-02-11
公開日2023-08-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Identification and characterization of endo-alpha-, exo-alpha-, and exo-beta-D-arabinofuranosidases degrading lipoarabinomannan and arabinogalactan of mycobacteria.
Nat Commun, 14, 2023
5JZM
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BU of 5jzm by Molmil
Structure of wild type Amidase from Vibrio cholerae 0395 at low temparature at 1.8 Angstroms resolution.
分子名称: Intracellular protease/amidase
著者Chowdhury, S.R, Sen, U.
登録日2016-05-17
公開日2016-06-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structure of wild type Amidase from Vibrio cholerae 0395 at high temparature at 1.8 Angstroms resolution.
To Be Published
5KH3
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BU of 5kh3 by Molmil
Crystal structure of fragment (3-(5-Chloro-1,3-benzothiazol-2-yl)propanoic acid) bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain
分子名称: 3-(5-chloranyl-1,3-benzothiazol-2-yl)propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ...
著者Harding, R.J, Dong, A, Ravichandran, M, Ferreira de Freitas, R, Schapira, M, Bountra, C, Edwards, A.M, Santhakumar, V, Arrowsmith, C.M, Structural Genomics Consortium (SGC)
登録日2016-06-14
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Small Molecule Antagonists of the Interaction between the Histone Deacetylase 6 Zinc-Finger Domain and Ubiquitin.
J. Med. Chem., 60, 2017
5JOD
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BU of 5jod by Molmil
Structure of proplasmepsin IV from Plasmodium falciparum
分子名称: GLYCEROL, Proplasmepsin IV
著者Recacha, R, Akopjana, I, Tars, K, Jaudzems, K.
登録日2016-05-02
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.528 Å)
主引用文献Crystal structure of Plasmodium falciparum proplasmepsin IV: the plasticity of proplasmepsins.
Acta Crystallogr.,Sect.F, 72, 2016
5JOY
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BU of 5joy by Molmil
Bacteroides ovatus Xyloglucan PUL GH43A in complex with AraLOG
分子名称: (Z)-L-Arabinonhydroximo-1,4-lactone, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Thompson, A.J, Hemsworth, G.R, Stepper, J, Sobala, L.F, Coyle, T, Larsbrink, J, Spadiut, O, Stubbs, K.A, Brumer, H, Davies, G.J.
登録日2016-05-03
公開日2016-08-10
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural dissection of a complex Bacteroides ovatus gene locus conferring xyloglucan metabolism in the human gut.
Open Biology, 6, 2016
8I0E
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BU of 8i0e by Molmil
Sb3GT1 complex with UDP
分子名称: Glycosyltransferase, URIDINE-5'-DIPHOSPHATE
著者Wang, H.T, Wang, Z.L, Ye, M.
登録日2023-01-10
公開日2023-09-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Insights into the missing apiosylation step in flavonoid apiosides biosynthesis of Leguminosae plants.
Nat Commun, 14, 2023
5JRL
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BU of 5jrl by Molmil
Crystal Structure of the Sphingopyxin I Lasso Peptide Isopeptidase SpI-IsoP (Native)
分子名称: Dipeptidyl aminopeptidases/acylaminoacyl-peptidases-like protein
著者Fage, C.D, Hegemann, J.D, Bange, G, Marahiel, M.A.
登録日2016-05-06
公開日2016-09-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structure and Mechanism of the Sphingopyxin I Lasso Peptide Isopeptidase.
Angew.Chem.Int.Ed.Engl., 55, 2016
8HZZ
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BU of 8hzz by Molmil
GuApiGT (UGT79B74)
分子名称: SULFATE ION, apiosyltransferase
著者Wang, H.T, Wang, Z.L, Li, F.D, Ye, M.
登録日2023-01-10
公開日2023-09-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Insights into the missing apiosylation step in flavonoid apiosides biosynthesis of Leguminosae plants.
Nat Commun, 14, 2023
5JSM
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BU of 5jsm by Molmil
BRAFV600E Kinase Domain In Complex with Chemically Linked Vemurafenib Inhibitor VEM-3-VEM
分子名称: BENZAMIDINE, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Grasso, M.J, Marmorstein, R.
登録日2016-05-08
公開日2016-09-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Chemically Linked Vemurafenib Inhibitors Promote an Inactive BRAF(V600E) Conformation.
Acs Chem.Biol., 11, 2016
5JT4
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BU of 5jt4 by Molmil
L16A mutant of cytochrome c prime from Alcaligenes xylosoxidans: Ferrous state
分子名称: ASCORBIC ACID, Cytochrome c', HEME C, ...
著者Kekilli, D, Strange, R.W, Hough, M.A.
登録日2016-05-09
公開日2017-03-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Engineering proximal vs. distal heme-NO coordination via dinitrosyl dynamics: implications for NO sensor design.
Chem Sci, 8, 2017
5K78
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BU of 5k78 by Molmil
Dbr1 in complex with 16-mer branched RNA
分子名称: FE (II) ION, RNA lariat debranching enzyme, putative, ...
著者Clark, N.E, Taylor, A.B, Hart, P.J.
登録日2016-05-25
公開日2016-12-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献The RNA lariat debranching enzyme Dbr1: metal dependence and branched RNA co-crystal structures
Proc.Natl.Acad.Sci.USA, 2016
8IA3
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BU of 8ia3 by Molmil
Crystal structure of human USF2 bHLHLZ domain in complex with DNA
分子名称: DNA (5'-D(*GP*CP*GP*CP*GP*TP*CP*AP*CP*GP*TP*GP*CP*CP*CP*GP*TP*C)-3'), DNA (5'-D(P*GP*AP*CP*GP*GP*GP*CP*AP*CP*GP*TP*GP*AP*CP*GP*CP*GP*C)-3'), Upstream stimulatory factor 2
著者Huang, C, Fang, P, Wang, J.
登録日2023-02-07
公開日2023-09-20
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Tetramerization of upstream stimulating factor USF2 requires the elongated bent leucine zipper of the bHLH-LZ domain.
J.Biol.Chem., 299, 2023
8I0D
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BU of 8i0d by Molmil
Sb3GT1 375S/Q377H mutant complex with UDP-Glc
分子名称: Glycosyltransferase, URIDINE-5'-DIPHOSPHATE-GLUCOSE
著者Wang, H.T, Wang, Z.L, Ye, M.
登録日2023-01-10
公開日2023-09-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Insights into the missing apiosylation step in flavonoid apiosides biosynthesis of Leguminosae plants.
Nat Commun, 14, 2023
5KAW
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BU of 5kaw by Molmil
The structure of SAV2435 bound to TETRAPHENYLPHOSPHONIUM and RHODAMINE 6G
分子名称: GLYCEROL, RHODAMINE 6G, SA2223 protein, ...
著者Moreno, A, Wade, H.
登録日2016-06-02
公開日2016-08-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Solution Binding and Structural Analyses Reveal Potential Multidrug Resistance Functions for SAV2435 and CTR107 and Other GyrI-like Proteins.
Biochemistry, 55, 2016
8IBO
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BU of 8ibo by Molmil
Crystal structure of Wild-Type Mycobacterium tuberculosis ClpC1 N-terminal domain in complex with Lassomycin
分子名称: ACETATE ION, Lassomycin, Negative regulator of genetic competence ClpC/mecB
著者Jagdev, M.K, Vasudevan, D.
登録日2023-02-10
公開日2023-09-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Crystal structure of the N-terminal domain of MtClpC1 in complex with the anti-mycobacterial natural peptide Lassomycin.
Int.J.Biol.Macromol., 253, 2023
8IBP
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Crystal structure of Mycobacterium tuberculosis R21K ClpC1 N-terminal domain in complex with Lassomycin
分子名称: ACETATE ION, Lassomycin, Negative regulator of genetic competence ClpC/mecB
著者Jagdev, M.K, Vasudevan, D.
登録日2023-02-10
公開日2023-09-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal structure of the N-terminal domain of MtClpC1 in complex with the anti-mycobacterial natural peptide Lassomycin.
Int.J.Biol.Macromol., 253, 2023

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件を2024-08-21に公開中

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