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4QTQ
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Structure of a Xanthomonas Type IV Secretion System related protein
分子名称: CALCIUM ION, XAC2610 protein
著者Souza, D.P, Guzzo, C.R, Farah, C.S.
登録日2014-07-08
公開日2015-06-17
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Bacterial killing via a type IV secretion system.
Nat Commun, 6, 2015
4RUV
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Crystal structure of thioredoxin 2 from Staphylococcus aureus NCTC8325
分子名称: Thioredoxin
著者Bose, M, Biswas, R, Roychowdhury, A, Bhattacharyya, S, Ghosh, A.K, Das, A.K.
登録日2014-11-22
公開日2015-12-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Elucidation of the mechanism of disulfide exchange between staphylococcal thioredoxin2 and thioredoxin reductase2: A structural insight.
Biochimie, 160, 2019
4RVL
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CHK1 kinase domain with diazacarbazole compound 7: 3-(2-hydroxyphenyl)-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile
分子名称: 3-(2-hydroxyphenyl)-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile, Serine/threonine-protein kinase Chk1
著者Wiesmann, C, Wu, P.
登録日2014-11-26
公開日2015-06-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Mitigation of Acetylcholine Esterase Activity in the 1,7-Diazacarbazole Series of Inhibitors of Checkpoint Kinase 1.
J.Med.Chem., 58, 2015
4RV2
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Crystal Structure of (3R)-hydroxyacyl-ACP dehydratase HadAB hetero-dimer from Mycobacterium smegmatis
分子名称: MaoC family protein, SULFATE ION, UPF0336 protein MSMEG_1340/MSMEI_1302
著者Biswas, R, Hazra, D, Dutta, D, Das, A.K.
登録日2014-11-24
公開日2015-02-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of dehydratase component HadAB complex of mycobacterial FAS-II pathway.
Biochem.Biophys.Res.Commun., 458, 2015
4RVK
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CHK1 kinase domain with diazacarbazole compound 8: N-[3-(6-cyano-9H-pyrrolo[2,3-b:5,4-c']dipyridin-3-yl)phenyl]acetamide
分子名称: N-[3-(6-cyano-9H-pyrrolo[2,3-b:5,4-c']dipyridin-3-yl)phenyl]acetamide, Serine/threonine-protein kinase Chk1
著者Wiesmann, C, Wu, P.
登録日2014-11-26
公開日2015-06-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Mitigation of Acetylcholine Esterase Activity in the 1,7-Diazacarbazole Series of Inhibitors of Checkpoint Kinase 1.
J.Med.Chem., 58, 2015
4RL4
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BU of 4rl4 by Molmil
Crystal structure of GTP cyclohydrolase II from Helicobacter pylori 26695
分子名称: GTP cyclohydrolase-2, PYROPHOSPHATE
著者Yadav, S, Karthikeyan, S.
登録日2014-10-15
公開日2015-08-26
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.199 Å)
主引用文献Structural and biochemical characterization of GTP cyclohydrolase II from Helicobacter pylori reveals its redox dependent catalytic activity.
J.Struct.Biol., 192, 2015
2FBN
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BU of 2fbn by Molmil
Plasmodium falciparum putative FK506-binding protein PFL2275c, C-terminal TPR-containing domain
分子名称: 70 kDa peptidylprolyl isomerase, putative
著者Dong, A, Lew, J, Koeieradzki, I, Sundararajan, E, Melone, M, Wasney, G, Zhao, Y, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Hills, T, Structural Genomics Consortium (SGC)
登録日2005-12-09
公開日2006-01-24
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Crystallographic structure of the tetratricopeptide repeat domain of Plasmodium falciparum FKBP35 and its molecular interaction with Hsp90 C-terminal pentapeptide.
Protein Sci., 18, 2009
7NRL
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14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1032
分子名称: 14-3-3 protein sigma, 2-(hydroxymethyl)-5-(2-phenylimidazol-1-yl)phenol, DI(HYDROXYETHYL)ETHER, ...
著者Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C.
登録日2021-03-04
公開日2021-06-16
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions.
J.Am.Chem.Soc., 143, 2021
7NJ8
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14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1007
分子名称: 14-3-3 protein sigma, CALCIUM ION, MAGNESIUM ION, ...
著者Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C.
登録日2021-02-16
公開日2021-06-16
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions.
J.Am.Chem.Soc., 143, 2021
7NIG
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14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1008
分子名称: 14-3-3 protein sigma, 2-bromanyl-4-imidazol-1-yl-benzaldehyde, CALCIUM ION, ...
著者Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C.
登録日2021-02-12
公開日2021-06-16
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions.
J.Am.Chem.Soc., 143, 2021
3H4C
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BU of 3h4c by Molmil
Structure of the C-terminal Domain of Transcription Factor IIB from Trypanosoma brucei
分子名称: 1,2-ETHANEDIOL, Transcription factor TFIIB-like
著者Syed Ibrahim, B, Kanneganti, N, Rieckhof, G.E, Das, A, Laurents, D.V, Palenchar, J.B, Bellofatto, V, Wah, D.A.
登録日2009-04-18
公開日2009-08-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of the C-terminal domain of transcription factor IIB from Trypanosoma brucei.
Proc.Natl.Acad.Sci.USA, 106, 2009
7NJA
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BU of 7nja by Molmil
14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1006
分子名称: 14-3-3 protein sigma, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ...
著者Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C.
登録日2021-02-16
公開日2021-06-16
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions.
J.Am.Chem.Soc., 143, 2021
7NH7
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BU of 7nh7 by Molmil
OC43 coronavirus methyltransferase
分子名称: Replicase polyprotein 1a, Replicase polyprotein 1ab, SINEFUNGIN, ...
著者Dostalik, P, Krafcikova, P, Boura, E.
登録日2021-02-10
公開日2021-06-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献OC43 coronavirus methyltransferase
To Be Published
1WA4
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BU of 1wa4 by Molmil
Crystal structure of the M131F L135A EvaD double mutant
分子名称: GLYCEROL, PCZA361.16
著者Merkel, A.B, Naismith, J.H.
登録日2004-10-22
公開日2007-01-30
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of the M131F L135A Evad Double Mutant
To be Published
1W45
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The 2.5 Angstroem structure of the K16A mutant of annexin A8, which has an intact N-terminus.
分子名称: ANNEXIN A8
著者Rety, S, Sopkova-de Oliveira Santos, J, Raguenes-Nicol, C, Dreyfuss, L, Blondeau, K, Hofbauerova, K, Renouard, M, Russo-Marie, F, Lewit-Bentley, A.
登録日2004-07-22
公開日2005-01-18
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献The Crystal Structure of Annexin A8 is Similar to that of Annexin A3
J.Mol.Biol., 345, 2005
7NW2
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Crystal Structure of SARS-CoV-2 main protease in complex with LON-WEI-adc59df6-47
分子名称: 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Fearon, D, Douangamath, A, Aimon, A, Brandao-Neto, J, Dias, A, Dunnett, L, Gehrtz, P, Gorrie-Stone, T.J, Lukacik, P, Powell, A.J, Skyner, R, Strain-Damerell, C.M, Zaidman, D, London, N, Walsh, M.A, von Delft, F, Covid Moonshot Consortium
登録日2021-03-16
公開日2021-07-07
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献An automatic pipeline for the design of irreversible derivatives identifies a potent SARS-CoV-2 M pro inhibitor.
Cell Chem Biol, 28, 2021
1W1H
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BU of 1w1h by Molmil
Crystal Structure of the PDK1 Pleckstrin Homology (PH) domain
分子名称: 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, GLYCEROL, SULFATE ION
著者Komander, D, Deak, M, Alessi, D.R, Van Aalten, D.M.F.
登録日2004-06-21
公開日2004-11-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural Insights Into the Regulation of Pdk1 by Phosphoinositides and Inositol Phosphates
Embo J., 23, 2004
1W37
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2-keto-3-deoxygluconate(KDG) aldolase of Sulfolobus solfataricus
分子名称: 2-KETO-3-DEOXY GLUCONATE ALDOLASE, GLYCEROL, SODIUM ION
著者Theodossis, A, Walden, H, Westwick, E.J, Connaris, H, Lamble, H.J, Hough, D.W, Danson, M.J, Taylor, G.L.
登録日2004-07-13
公開日2004-09-02
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The structural basis for substrate promiscuity in 2-keto-3-deoxygluconate aldolase from the Entner-Doudoroff pathway in Sulfolobus solfataricus.
J. Biol. Chem., 279, 2004
7NXM
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Structure of human cathepsin K in complex with the selective activity-based probe Gu3416
分子名称: Cathepsin K, N-(4-(dibenzylamino)-4-oxobutyl)-2-(5-(dimethylamino)pentanamido)-4-methylpentanamide, SULFATE ION
著者Busa, M, Benysek, J, Lemke, C, Gutschow, M, Mares, M.
登録日2021-03-18
公開日2021-09-08
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献An Activity-Based Probe for Cathepsin K Imaging with Excellent Potency and Selectivity.
J.Med.Chem., 64, 2021
7NXL
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Structure of human cathepsin K in complex with the acrylamide inhibitor Gu3110
分子名称: Cathepsin K, SULFATE ION, tert-butyl (1-((4-(dibenzylamino)-4-oxobutyl)amino)-4-methyl-1-oxopentan-2-yl)carbamate
著者Busa, M, Benysek, J, Lemke, C, Gutschow, M, Mares, M.
登録日2021-03-18
公開日2021-09-08
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献An Activity-Based Probe for Cathepsin K Imaging with Excellent Potency and Selectivity.
J.Med.Chem., 64, 2021
3GRY
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BU of 3gry by Molmil
Crystal Structure of the complex between S-Adenosyl Methionine and Methanocaldococcus jannaschi Dim1.
分子名称: Dimethyladenosine transferase, PHOSPHATE ION, S-ADENOSYLMETHIONINE
著者Scarsdale, J.N, Musayev, F.N, Rife, J.P.
登録日2009-03-26
公開日2010-03-31
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Binding of adenosine-based ligands to the MjDim1 rRNA methyltransferase: implications for reaction mechanism and drug design.
Biochemistry, 49, 2010
8TY3
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MI-31 ligand bound to SARS-CoV-2 Mpro
分子名称: (1S,3aR,6aS)-2-[(3,4-dichlorophenoxy)acetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase nsp5
著者Blankenship, L.R, Liu, W.R.
登録日2023-08-24
公開日2024-08-28
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献MI-31 bound to SARS-CoV-2 Mpro
To Be Published
8TY5
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MI-14 bound to Mpro of SARS-CoV-2
分子名称: (1R,2S,5S)-3-[(2,4-dichlorophenoxy)acetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
著者Blankenship, L.R, Liu, W.R.
登録日2023-08-24
公開日2024-08-28
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献MI-14 bound to SARS-CoV-2 Mpro
To Be Published
8TY4
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MI-30 bound to Mpro of SARS-CoV-2
分子名称: (1S,3aR,6aS)-2-[(2,4-dichlorophenoxy)acetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase nsp5
著者Blankenship, L.R, Liu, W.R.
登録日2023-08-24
公開日2024-08-28
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献MI-30 bound to SARS-CoV-2 Mpro
To Be Published
8U0R
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The crystal structure of protein A21, a component of the conserved poxvirus entry-fusion complex
分子名称: 1,2-ETHANEDIOL, 1,3-PROPANDIOL, 2-(2-METHOXYETHOXY)ETHANOL, ...
著者Diesterbeck, U, Gittis, A.G, Garboczi, D.N, Moss, B.
登録日2023-08-29
公開日2024-09-04
最終更新日2025-04-09
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The 2.3 angstrom Structure of A21, a Protein Component of the Conserved Poxvirus Entry-Fusion Complex.
J.Mol.Biol., 437, 2025

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件を2025-07-16に公開中

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