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6CFO
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HUMAN PYRUVATE DEHYDROGENASE E1 COMPONENT COMPLEX WITH COVALENT TDP ADDUCT ACETYL PHOSPHINATE
分子名称: 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1S)-1-hydroxy-1-[(R)-hydroxy(oxo)-lambda~5~-phosphanyl]ethyl}-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium, MAGNESIUM ION, Pyruvate dehydrogenase E1 component subunit alpha, ...
著者ARJUNAN, P, WHITLEY, M.J, FUREY, W.
登録日2018-02-15
公開日2018-07-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Pyruvate dehydrogenase complex deficiency is linked to regulatory loop disorder in the alpha V138M variant of human pyruvate dehydrogenase.
J. Biol. Chem., 293, 2018
5EYY
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BU of 5eyy by Molmil
Tetragonal Form of Centrolobium tomentosum seed lectin (CTL) complexed with Man1-3Man-OMe.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Centrolobium tomentosum lectin, ...
著者Pinto-Junior, V.R, Osterne, V.J.S, Santiago, M.Q, Almeida, A.C, Lossio, C.F, Silva-Filho, J.C, Almeida, R.P.H, Teixeira, C.S, Delatorre, P, Rocha, B.A.M, Nascimento, K.S, Cavada, B.S.
登録日2015-11-25
公開日2016-03-16
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.902 Å)
主引用文献Structural analysis of Centrolobium tomentosum seed lectin with inflammatory activity.
Arch.Biochem.Biophys., 596, 2016
6CJ9
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BU of 6cj9 by Molmil
Crystal structure of lectin from Dioclea lasiophylla seeds (DlyL) complexed with X-Man
分子名称: 5-bromo-4-chloro-1H-indol-3-yl alpha-D-mannopyranoside, CALCIUM ION, Lectin, ...
著者Pinto-Junior, V.R, Santiago, M.Q, Osterne, V.J.S, Araripe, D.A, Neco, A.H.B, Silva-Filho, J.C, Leal, R.B, Rocha, C.R.C, Nascimento, K.S, Cavada, B.S.
登録日2018-02-26
公開日2018-03-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of DlyL, a mannose-specific lectin from Dioclea lasiophylla Mart. Ex Benth seeds that display cytotoxic effects against C6 glioma cells.
Int. J. Biol. Macromol., 114, 2018
8V2T
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BU of 8v2t by Molmil
Phosphoheptose isomerase GMHA from Burkholderia pseudomallei bound to inhibitor Mut148591
分子名称: 1,5,6-trideoxy-6,6-difluoro-1-(N-hydroxyformamido)-6-phosphono-D-ribo-hexitol, CHLORIDE ION, Phosphoheptose isomerase, ...
著者Junop, M.S, Brown, C, Szabla, R.
登録日2023-11-23
公開日2023-12-06
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.402 Å)
主引用文献Potentiating Activity of GmhA Inhibitors on Gram-Negative Bacteria.
J.Med.Chem., 67, 2024
8V4J
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BU of 8v4j by Molmil
Phosphoheptose isomerase GMHA from Burkholderia pseudomallei bound to inhibitor Mut148233
分子名称: 1-deoxy-1-[formyl(hydroxy)amino]-5-O-phosphono-D-ribitol, CHLORIDE ION, Phosphoheptose isomerase, ...
著者Junop, M.S, Brown, C, Szabla, R.
登録日2023-11-29
公開日2023-12-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Potentiating Activity of GmhA Inhibitors on Gram-Negative Bacteria.
J.Med.Chem., 67, 2024
5F74
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BU of 5f74 by Molmil
Crystal structure of ChREBP:14-3-3 complex bound with AMP
分子名称: 14-3-3 protein beta/alpha, ADENOSINE MONOPHOSPHATE, Carbohydrate-responsive element-binding protein
著者Jung, H, Uyeda, K.
登録日2015-12-07
公開日2016-03-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Metabolite Regulation of Nuclear Localization of Carbohydrate-response Element-binding Protein (ChREBP): ROLE OF AMP AS AN ALLOSTERIC INHIBITOR.
J.Biol.Chem., 291, 2016
7E3Z
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BU of 7e3z by Molmil
Non-Ribosomal Peptide Synthetases, Thioesterase
分子名称: CHLORIDE ION, thioesterase
著者Jung, Y.E, Cha, S.S.
登録日2021-02-09
公開日2021-12-22
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Unprecedented Noncanonical Features of the Nonlinear Nonribosomal Peptide Synthetase Assembly Line for WS9326A Biosynthesis.
Angew.Chem.Int.Ed.Engl., 60, 2021
7EPG
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BU of 7epg by Molmil
Crystal structure of E.coli CcdB mutant S12G
分子名称: CHLORIDE ION, Toxin CcdB
著者Manjunath, K, Varadarajan, R.
登録日2021-04-26
公開日2022-06-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.631 Å)
主引用文献Mechanistic insights into global suppressors of protein folding defects.
Plos Genet., 18, 2022
7EPI
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BU of 7epi by Molmil
Crystal structure of E.coli CcdB mutant S60E
分子名称: CHLORIDE ION, Toxin CcdB
著者Manjunath, K, Goyal, P, Varadarajan, R.
登録日2021-04-26
公開日2022-06-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.931 Å)
主引用文献Mechanistic insights into global suppressors of protein folding defects.
Plos Genet., 18, 2022
7EPJ
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BU of 7epj by Molmil
Crystal structure of E.coli CcdB mutant V46L
分子名称: CHLORIDE ION, Toxin CcdB
著者Manjunath, K, Goyal, P, Varadarajan, R.
登録日2021-04-26
公開日2022-06-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.354 Å)
主引用文献Mechanistic insights into global suppressors of protein folding defects.
Plos Genet., 18, 2022
8DQ2
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BU of 8dq2 by Molmil
X-ray crystal structure of Hansschlegelia quercus lanmodulin (LanM) with lanthanum (III) bound at pH 7
分子名称: CITRIC ACID, EF-hand domain-containing protein, LANTHANUM (III) ION, ...
著者Jung, J.J, Lin, C.-Y, Boal, A.K.
登録日2022-07-18
公開日2023-06-07
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Enhanced rare-earth separation with a metal-sensitive lanmodulin dimer.
Nature, 618, 2023
5ITG
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BU of 5itg by Molmil
Crystal structure of D-sorbitol dehydrogenase in substrate-free form
分子名称: Sorbitol dehydrogenase
著者Jung, W.S, Pan, C.H.
登録日2016-03-16
公開日2017-03-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A highly efficient sorbitol dehydrogenase from Gluconobacter oxydans G624 and improvement of its stability through immobilization
Sci Rep, 6, 2016
6VJW
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BU of 6vjw by Molmil
Crystal structure of WT hMBD4 complexed with T:G mismatch DNA
分子名称: DNA (5'-D(*CP*CP*AP*GP*CP*GP*(ORP)P*GP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*CP*GP*CP*GP*CP*TP*GP*G)-3'), Methyl-CpG-binding domain protein 4
著者Jung, H, Lee, S.
登録日2020-01-17
公開日2021-01-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Catalytic mechanism of the mismatch-specific DNA glycosylase methyl-CpG-binding domain 4.
Biochem.J., 477, 2020
8FNR
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BU of 8fnr by Molmil
X-ray crystal structure of Hansschlegelia quercus lanmodulin (LanM) with dysprosium (III) bound at pH 7
分子名称: DYSPROSIUM ION, EF-hand domain-containing protein
著者Jung, J.J, Lin, C.-Y, Boal, A.K.
登録日2022-12-28
公開日2023-06-07
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Enhanced rare-earth separation with a metal-sensitive lanmodulin dimer.
Nature, 618, 2023
8FNS
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BU of 8fns by Molmil
X-ray crystal structure of Methylorubrum extorquens AM1 lanmodulin (LanM) with neodymium (III) bound at pH 7
分子名称: EF-hand domain-containing protein, Neodymium Ion
著者Jung, J.J, Lin, C.-Y, Boal, A.K.
登録日2022-12-28
公開日2023-06-07
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.01 Å)
主引用文献Enhanced rare-earth separation with a metal-sensitive lanmodulin dimer.
Nature, 618, 2023
1I3G
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BU of 1i3g by Molmil
CRYSTAL STRUCTURE OF AN AMPICILLIN SINGLE CHAIN FV, FORM 1, FREE
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ANTIBODY FV FRAGMENT
著者Jung, S, Spinelli, S, Schimmele, B, Honegger, A, Pugliese, L, Cambillau, C, Pluckthun, A.
登録日2001-02-15
公開日2001-10-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Selection, characterization and x-ray structure of anti-ampicillin single-chain Fv fragments from phage-displayed murine antibody libraries.
J.Mol.Biol., 309, 2001
2FQ6
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BU of 2fq6 by Molmil
Cystathionine beta-lyase (cbl) from escherichia coli in complex with n-hydrazinocarbonylmethyl-2-trifluoromethyl-benzamide
分子名称: Cystathionine beta-lyase, PHOSPHORIC ACID MONO-(5-HYDROXY-6-METHYL-4-{[2-(2-TRIFLUOROMETHYL-BENZOYLAMINO)-ACETYL]-HYDRAZONOMETHYL}-PYRIDIN-3-YLMETHYL)ESTER
著者Junop, M.S.
登録日2006-01-17
公開日2006-12-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Inhibitors of bacterial cystathionine beta-lyase: leads for new antimicrobial agents and probes of enzyme structure and function.
J.Med.Chem., 50, 2007
2MXQ
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BU of 2mxq by Molmil
The solution structure of DEFA1, a highly potent antimicrobial peptide from the horse
分子名称: Paneth cell-specific alpha-defensin 1
著者Jung, S, Michalek, M, Shomali, M, Soennichsen, F.D.
登録日2015-01-12
公開日2015-04-22
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Solution structure and functional studies of the highly potent equine antimicrobial peptide DEFA1.
Biochem.Biophys.Res.Commun., 459, 2015
3MWM
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BU of 3mwm by Molmil
Graded expression of zinc-responsive genes through two regulatory zinc-binding sites in Zur
分子名称: Putative metal uptake regulation protein, ZINC ION
著者Jung, H.J, An, Y.J, Cha, S.-S.
登録日2010-05-06
公開日2011-03-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Graded expression of zinc-responsive genes through two regulatory zinc-binding sites in Zur
Proc.Natl.Acad.Sci.USA, 108, 2011
5EPP
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BU of 5epp by Molmil
Structural Insights into the Interaction of p97 N-terminus Domain and VBM Motif in Rhomboid Protease, RHBDL4
分子名称: Rhomboid-related protein 4, Transitional endoplasmic reticulum ATPase
著者Lim, J.J, Lee, Y, Ly, T.T, Kang, J.Y, Lee, J.-G, An, J.Y, Youn, H.-S, Park, K.R, Kim, T.G, Yang, J.K, Jun, Y, Eom, S.H.
登録日2015-11-12
公開日2016-09-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structural insights into the interaction of p97 N-terminus domain and VBM in rhomboid protease, RHBDL4.
Biochem.J., 473, 2016
4LTD
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BU of 4ltd by Molmil
Crystal structures of NADH:FMN oxidoreductase (EMOB) - apo form
分子名称: NADH-dependent FMN reductase, PHOSPHATE ION, SULFATE ION
著者Nissen, M.S, Youn, B, Knowles, B.D, Ballinger, J.W, Jun, S, Belchik, S.M, Xun, L, Kang, C.
登録日2013-07-23
公開日2013-08-07
実験手法X-RAY DIFFRACTION (2.186 Å)
主引用文献Crystal structures of NADH:FMN oxidoreductase (EmoB) at different stages of catalysis.
J.Biol.Chem., 283, 2008
4LTN
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BU of 4ltn by Molmil
Crystal structures of NADH:FMN oxidoreductase (EMOB) - FMN, NADH complex
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FLAVIN MONONUCLEOTIDE, NADH-dependent FMN reductase, ...
著者Nissen, M.S, Youn, B, Knowles, B.D, Ballinger, J.W, Jun, S, Belchik, S.M, Xun, L, Kang, C.
登録日2013-07-23
公開日2013-08-07
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.996 Å)
主引用文献Crystal structures of NADH:FMN oxidoreductase (EmoB) at different stages of catalysis.
J.Biol.Chem., 283, 2008
4X21
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The MAP kinase JNK3 as target for halogen bonding
分子名称: CHLORIDE ION, Mitogen-activated protein kinase 10, N-ethyl-4-{[4-(1H-indol-3-yl)-5-iodopyrimidin-2-yl]amino}piperidine-1-carboxamide
著者Lange, A, Buettner, F.M, Guenther, M.B, Zimmermann, M.O, Hennig, S, Laufer, S.A, Stehle, T, Boeckler, F.
登録日2014-11-25
公開日2015-11-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Targeting the Gatekeeper MET146 of C-Jun N-Terminal Kinase 3 Induces a Bivalent Halogen/Chalcogen Bond.
J.Am.Chem.Soc., 137, 2015
2B1P
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BU of 2b1p by Molmil
inhibitor complex of JNK3
分子名称: 3-{6-[(2-CHLOROPHENYL)AMINO]-1H-INDAZOL-3-YL}-5-{[4-(DIMETHYLAMINO)BUTANOYL]AMINO}BENZOIC ACID, BETA-MERCAPTOETHANOL, Mitogen-activated protein kinase 10, ...
著者Swahn, B.M, Huerta, F, Kallin, E, Malmstrom, J, Weigelt, T, Viklund, J, Womack, P, Xue, Y, Ohberg, L.
登録日2005-09-16
公開日2006-09-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Design and synthesis of 6-anilinoindazoles as selective inhibitors of c-Jun N-terminal kinase-3
Bioorg.Med.Chem.Lett., 15, 2005
7N8T
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Crystal Structure of AMP-bound Human JNK2
分子名称: ADENOSINE MONOPHOSPHATE, HEXAETHYLENE GLYCOL, Mitogen-activated protein kinase 9
著者Li, L, Gurbani, D, Westover, K.D.
登録日2021-06-15
公開日2022-06-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Development of a Covalent Inhibitor of c-Jun N-Terminal Protein Kinase (JNK) 2/3 with Selectivity over JNK1.
J.Med.Chem., 66, 2023

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