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1EZK
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BU of 1ezk by Molmil
Crystal structure of recombinant tryparedoxin I
分子名称: TRYPAREDOXIN I
著者Hofmann, B, Guerrero, S.A, Kalisz, H.M, Menge, U, Nogoceke, E, Montemartini, M, Singh, M, Flohe, L, Hecht, H.J.
登録日2000-05-11
公開日2000-05-24
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structures of tryparedoxins revealing interaction with trypanothione.
Biol.Chem., 382, 2001
1EWX
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BU of 1ewx by Molmil
Crystal structure of native tryparedoxin I from Crithidia fasciculata
分子名称: TRYPAREDOXIN I
著者Hofmann, B, Guerrero, S.A, Kalisz, H.M, Menge, U, Nogoceke, E, Montemartini, M, Singh, M, Flohe, L, Hecht, H.J.
登録日2000-04-28
公開日2000-05-10
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structures of tryparedoxins revealing interaction with trypanothione.
Biol.Chem., 382, 2001
4TR2
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BU of 4tr2 by Molmil
Crystal structure of PvSUB1
分子名称: CALCIUM ION, PHOSPHATE ION, Subtilisin-like 1 serine protease
著者Giganti, D, Bouillon, A, Martinez, M, Weber, P, Girard-Blanc, C, Petres, S, Haouz, A, Barale, J.C, Alzari, P.M.
登録日2014-06-13
公開日2014-09-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A novel Plasmodium-specific prodomain fold regulates the malaria drug target SUB1 subtilase.
Nat Commun, 5, 2014
3QKL
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BU of 3qkl by Molmil
Spirochromane Akt Inhibitors
分子名称: GSK-3 beta peptide, N-{(2S)-3-[(3S)-8',9'-dihydro-1H,3'H-spiro[piperidine-3,7'-pyrano[3,2-e]indazol]-1-yl]-2-hydroxypropyl}-N-(2-ethoxyethyl)-2,6-dimethylbenzenesulfonamide, RAC-alpha serine/threonine-protein kinase
著者Kallan, N.C, Spencer, K.L, Blake, J.F, Xu, R, Heizer, J, Bencsik, J.R, Mitchell, I.S, Gloor, S.L, Martinson, M, Risom, T, Gross, S.D, Morales, T, Vigers, G.P.A, Brandhuber, B.J, Skelton, N.J.
登録日2011-02-01
公開日2011-03-30
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery and SAR of spirochromane Akt inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
2RLI
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BU of 2rli by Molmil
Solution structure of Cu(I) human Sco2
分子名称: COPPER (I) ION, SCO2 protein homolog, mitochondrial
著者Banci, L, Bertini, I, Ciofi-baffoni, S, Gerothanassis, I.P, Leontari, I, Martinelli, M, Wang, S, Structural Proteomics in Europe (SPINE), Structural Proteomics in Europe 2 (SPINE-2)
登録日2007-07-11
公開日2007-08-28
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献A Structural Characterization of Human SCO2
Structure, 15, 2007
2RN9
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BU of 2rn9 by Molmil
Solution structure of human apoCox17
分子名称: Cytochrome c oxidase copper chaperone
著者Banci, L, Bertini, I, Ciofi-Baffoni, S, Janicka, A, Martinelli, M, Kozlowski, H, Palumaa, P.
登録日2007-12-08
公開日2007-12-18
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献A structural-dynamical characterization of human cox17
J.Biol.Chem., 283, 2008
2RNB
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BU of 2rnb by Molmil
Solution structure of human Cu(I)Cox17
分子名称: COPPER (I) ION, Cytochrome c oxidase copper chaperone
著者Banci, L, Bertini, I, Ciofi-Baffoni, S, Janicka, A, Martinelli, M, Kozlowski, H, Palumaa, P.
登録日2007-12-08
公開日2007-12-18
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献A structural-dynamical characterization of human cox17
J.Biol.Chem., 283, 2008
1I5G
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BU of 1i5g by Molmil
TRYPAREDOXIN II COMPLEXED WITH GLUTATHIONYLSPERMIDINE
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLUTATHIONYLSPERMIDINE, TRYPAREDOXIN II
著者Hofmann, B, Budde, H, Bruns, K, Guerrero, S.A, Kalisz, H.M, Menge, U, Montemartini, M, Nogoceke, E, Steinert, P, Wissing, J.B, Flohe, L, Hecht, H.-J.
登録日2001-02-27
公開日2001-03-14
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structures of tryparedoxins revealing interaction with trypanothione.
Biol.Chem., 382, 2001
2GT6
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BU of 2gt6 by Molmil
Solution structure of Human Cu(I) Sco1
分子名称: COPPER (I) ION, SCO1 protein homolog, mitochondrial
著者Banci, L, Bertini, I, Calderone, V, Ciofi-Baffoni, S, Mangani, S, Palumaa, P, Martinelli, M, Wang, S, Structural Proteomics in Europe (SPINE)
登録日2006-04-27
公開日2006-06-06
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献A hint for the function of human Sco1 from different structures.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2GGT
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BU of 2ggt by Molmil
Crystal structure of human SCO1 complexed with nickel.
分子名称: CHLORIDE ION, NICKEL (II) ION, SCO1 protein homolog, ...
著者Banci, L, Bertini, I, Calderone, V, Ciofi-Baffoni, S, Mangani, S, Martinelli, M, Palumaa, P, Wang, S.
登録日2006-03-24
公開日2006-05-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A hint for the function of human Sco1 from different structures.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2GQL
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BU of 2gql by Molmil
Solution structure of Human Ni(II)-Sco1
分子名称: NICKEL (II) ION, SCO1 protein homolog, mitochondrial
著者Banci, L, Bertini, I, Calderone, V, Ciofi-Baffoni, S, Mangani, S, Palumaa, P, Martinelli, M, Wang, S, Structural Proteomics in Europe (SPINE)
登録日2006-04-21
公開日2006-06-06
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献A hint for the function of human Sco1 from different structures.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2GQK
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BU of 2gqk by Molmil
Solution structure of Human Ni(II)-Sco1
分子名称: NICKEL (II) ION, SCO1 protein homolog, mitochondrial
著者Banci, L, Bertini, I, Calderone, V, Ciofi-Baffoni, S, Mangani, S, Palumaa, P, Martinelli, M, Wang, S, Structural Proteomics in Europe (SPINE)
登録日2006-04-21
公開日2006-06-06
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献A hint for the function of human Sco1 from different structures.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2HRF
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BU of 2hrf by Molmil
Solution Structure of Cu(I) P174L HSco1
分子名称: COPPER (I) ION, SCO1 protein homolog, mitochondrial
著者Banci, L, Bertini, I, Ciofi-Baffoni, S, Leontari, I, Martinelli, M, Palumaa, P, Sillard, R, Wang, S, Structural Proteomics in Europe (SPINE)
登録日2006-07-20
公開日2007-01-16
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Human Sco1 functional studies and pathological implications of the P174L mutant.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2HRN
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BU of 2hrn by Molmil
Solution Structure of Cu(I) P174L-HSco1
分子名称: COPPER (I) ION, SCO1 protein homolog, mitochondrial
著者Banci, L, Bertini, I, Ciofi-Baffoni, S, Leontari, I, Martinelli, M, Palumaa, P, Sillard, R, Wang, S, Structural Proteomics in Europe (SPINE)
登録日2006-07-20
公開日2007-01-16
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Human Sco1 functional studies and pathological implications of the P174L mutant.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2GT5
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BU of 2gt5 by Molmil
Solution structure of apo Human Sco1
分子名称: SCO1 protein homolog, mitochondrial
著者Banci, L, Bertini, I, Calderone, V, Ciofi-Baffoni, S, Mangani, S, Palumaa, P, Martinelli, M, Wang, S, Structural Proteomics in Europe (SPINE)
登録日2006-04-27
公開日2006-06-06
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献A hint for the function of human Sco1 from different structures.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2GVP
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BU of 2gvp by Molmil
Solution structure of Human apo Sco1
分子名称: SCO1 protein homolog, mitochondrial
著者Banci, L, Bertini, I, Calderone, V, Ciofi-Baffoni, S, Mangani, S, Paulmaa, P, Martinelli, M, Wang, S, Structural Proteomics in Europe (SPINE)
登録日2006-05-03
公開日2006-06-06
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献A hint for the function of human Sco1 from different structures.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2GQM
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BU of 2gqm by Molmil
Solution structure of Human Cu(I)-Sco1
分子名称: COPPER (I) ION, SCO1 protein homolog, mitochondrial
著者Banci, L, Bertini, I, Calderone, V, Ciofi-Baffoni, S, Mangani, S, Palumaa, P, Martinelli, M, Wang, S, Structural Proteomics in Europe (SPINE)
登録日2006-04-21
公開日2006-06-06
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献A hint for the function of human Sco1 from different structures.
Proc.Natl.Acad.Sci.Usa, 103, 2006
4DMV
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BU of 4dmv by Molmil
Crystal structure of the GT domain of Clostridium difficile Toxin A
分子名称: Toxin A
著者Malito, E, D'Urzo, N, Bottomley, M.J, Biancucci, M, Maione, D, Scarselli, M, Martinelli, M.
登録日2012-02-08
公開日2012-07-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The structure of Clostridium difficile toxin A glucosyltransferase domain bound to Mn2+ and UDP provides insights into glucosyltransferase activity and product release.
Febs J., 279, 2012
4DMW
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BU of 4dmw by Molmil
Crystal structure of the GT domain of Clostridium difficile toxin A (TcdA) in complex with UDP and Manganese
分子名称: MANGANESE (II) ION, Toxin A, URIDINE-5'-DIPHOSPHATE
著者Malito, E, D'Urzo, N, Bottomley, M.J, Biancucci, M, Scarselli, M, Maione, D, Martinelli, M.
登録日2012-02-08
公開日2012-07-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The structure of Clostridium difficile toxin A glucosyltransferase domain bound to Mn2+ and UDP provides insights into glucosyltransferase activity and product release.
Febs J., 279, 2012
3QKK
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BU of 3qkk by Molmil
Spirochromane Akt Inhibitors
分子名称: GSK-3 beta peptide, N-(2-ethoxyethyl)-N-{(2S)-2-hydroxy-3-[(2R)-6-hydroxy-4-oxo-3,4-dihydro-1'H-spiro[chromene-2,3'-piperidin]-1'-yl]propyl}-2,6-dimethylbenzenesulfonamide, RAC-alpha serine/threonine-protein kinase
著者Kallan, N.C, Spencer, K.L, Blake, J.F, Xu, R, Heizer, J, Bencsik, J.R, Mitchell, I.S, Gloor, S.L, Martinson, M, Risom, T, Gross, S.D, Morales, T, Vigers, G.P.A, Brandhuber, B.J, Skelton, N.J.
登録日2011-02-01
公開日2011-03-30
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery and SAR of spirochromane Akt inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3QKM
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BU of 3qkm by Molmil
Spirocyclic sulfonamides as AKT inhibitors
分子名称: N-(2-ethoxyethyl)-N-{(2S)-2-hydroxy-3-[(5R)-2-(quinazolin-4-yl)-2,7-diazaspiro[4.5]dec-7-yl]propyl}-2,6-dimethylbenzenesulfonamide, RAC-alpha serine/threonine-protein kinase
著者Xu, R, Banka, A, Blake, J.F, Mitchell, I.S, Wallace, E.M, Gloor, S.L, Martinson, M, Risom, T, Gross, S.D, Morales, T, Vigers, G.P.A, Brandhuber, B.J, Skelton, N.J.
登録日2011-02-01
公開日2011-04-06
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of spirocyclic sulfonamides as potent Akt inhibitors with exquisite selectivity against PKA.
Bioorg.Med.Chem.Lett., 21, 2011
4BZO
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BU of 4bzo by Molmil
Crystal structure of PIM1 in complex with a Pyrrolo-Pyrazinone inhibitor
分子名称: N-[(1S)-2-AMINO-1-PHENYLETHYL]-2-[(4S)-7-(2-FLUORO-4-PYRIDINYL)-1-OXO-1,2,3,4-TETRAHYDROPYRROLO[1,2-A]PYRAZIN-4-YL]ACETAMIDE, SERINE/THREONINE-PROTEIN KINASE PIM-1
著者Casale, E, Casuscelli, F, Ardini, E, Avanzi, N, Cervi, G, D'Anello, M, Donati, D, Faiardi, D, Ferguson, R.D, Fogliatto, G, Galvani, A, Marsiglio, A, Mirizzi, D.G, Montemartini, M, Orrenius, C, Papeo, G, Piutti, C, Salom, B, Felder, E.R.
登録日2013-07-29
公開日2013-10-30
最終更新日2013-11-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery and Optimization of Pyrrolo[1,2-A]Pyrazinones Leads to Novel and Selective Inhibitors of Pim Kinases.
Bioorg.Med.Chem., 21, 2013
4BZN
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BU of 4bzn by Molmil
Crystal structure of PIM1 in complex with a Pyrrolo(1,2-a)Pyrazinone inhibitor
分子名称: N-(2,2-dimethylpropyl)-2-[1-oxo-7-(thiophen-3-yl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-4-yl]acetamide, SERINE/THREONINE-PROTEIN KINASE PIM-1
著者Casale, E, Casuscelli, F, Ardini, E, Avanzi, N, Cervi, G, D'Anello, M, Donati, D, Faiardi, D, Ferguson, R.D, Fogliatto, G, Galvani, A, Marsiglio, A, Mirizzi, D.G, Montemartini, M, Orrenius, C, Papeo, G, Piutti, C, Salom, B, Felder, E.R.
登録日2013-07-29
公開日2013-10-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery and Optimization of Pyrrolo[1,2-A]Pyrazinones Leads to Novel and Selective Inhibitors of Pim Kinases.
Bioorg.Med.Chem., 21, 2013
4Q30
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BU of 4q30 by Molmil
Nitrowillardiine bound to the ligand binding domain of GluA2 at pH 3.5
分子名称: 3-(5-nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine, Glutamate receptor 2 CHIMERIC PROTEIN, ZINC ION
著者Ahmed, A.H, Oswald, R.E.
登録日2014-04-10
公開日2014-06-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Thermodynamics and mechanism of the interaction of willardiine partial agonists with a glutamate receptor: implications for drug development.
Biochemistry, 53, 2014
5Y4M
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BU of 5y4m by Molmil
Discoidin domain of human CASPR2
分子名称: 1,2-ETHANEDIOL, human CASPR2 Disc domain
著者Liu, H, Xu, F, Zhang, J, Liang, W.
登録日2017-08-04
公開日2018-08-08
最終更新日2019-02-20
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Structural mapping of hot spots within human CASPR2 discoidin domain for autoantibody recognition.
J. Autoimmun., 96, 2019

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