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3ZD0
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The Solution Structure of Monomeric Hepatitis C Virus p7 Yields Potent Inhibitors of Virion Release
分子名称: P7 PROTEIN
著者Foster, T.L, Sthompson, G, Kalverda, A.P, Kankanala, J, Thompson, J, Barker, A.M, Clarke, D, Noerenberg, M, Pearson, A.R, Rowlands, D.J, Homans, S.W, Harris, M, Foster, R, Griffin, S.D.C.
登録日2012-11-23
公開日2013-09-04
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Structure-Guided Design Affirms Inhibitors of Hepatitis C Virus P7 as a Viable Class of Antivirals Targeting Virion Release
Hepatology, 59, 2014
1BLQ
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STRUCTURE AND INTERACTION SITE OF THE REGULATORY DOMAIN OF TROPONIN-C WHEN COMPLEXED WITH THE 96-148 REGION OF TROPONIN-I, NMR, 29 STRUCTURES
分子名称: N-TROPONIN C
著者Mckay, R.T, Pearlstone, J.R, Corson, D.C, Gagne, S.M, Smillie, L.B, Sykes, B.D.
登録日1998-07-19
公開日1999-01-13
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure and interaction site of the regulatory domain of troponin-C when complexed with the 96-148 region of troponin-I.
Biochemistry, 37, 1998
4C4I
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Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic kinase MPS1
分子名称: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, DUAL SPECIFICITY PROTEIN KINASE TTK, tert-butyl 6-{[2-chloro-4-(dimethylcarbamoyl)phenyl]amino}-2-(1,3-oxazol-5-yl)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate
著者Naud, S, Westwood, I.M, Faisal, A, Sheldrake, P, Bavetsias, V, Atrash, B, Liu, M, Hayes, A, Schmitt, J, Wood, A, Choi, V, Boxall, K, Mak, G, Gurden, M, Valenti, M, de Haven Brandon, A, Henley, A, Baker, R, McAndrew, C, Matijssen, B, Burke, R, Eccles, S.A, Raynaud, F.I, Linardopoulos, S, van Montfort, R, Blagg, J.
登録日2013-09-05
公開日2013-12-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structure-Based Design of Orally Bioavailable 1H-Pyrrolo[3, 2-C]Pyridine Inhibitors of the Mitotic Kinase Monopolar Spindle 1 (Mps1).
J.Med.Chem., 56, 2013
4C4J
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BU of 4c4j by Molmil
Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic kinase MPS1
分子名称: DUAL SPECIFICITY PROTEIN KINASE TTK, tert-butyl 6-{[2-chloro-4-(1-methyl-1H-imidazol-5-yl)phenyl]amino}-2-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate
著者Naud, S, Westwood, I.M, Faisal, A, Sheldrake, P, Bavetsias, V, Atrash, B, Liu, M, Hayes, A, Schmitt, J, Wood, A, Choi, V, Boxall, K, Mak, G, Gurden, M, Valenti, M, de Haven Brandon, A, Henley, A, Baker, R, McAndrew, C, Matijssen, B, Burke, R, Eccles, S.A, Raynaud, F.I, Linardopoulos, S, van Montfort, R, Blagg, J.
登録日2013-09-05
公開日2013-12-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-Based Design of Orally Bioavailable 1H-Pyrrolo[3, 2-C]Pyridine Inhibitors of the Mitotic Kinase Monopolar Spindle 1 (Mps1).
J.Med.Chem., 56, 2013
1F1F
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BU of 1f1f by Molmil
CRYSTAL STRUCTURE OF CYTOCHROME C6 FROM ARTHROSPIRA MAXIMA
分子名称: CYTOCHROME C6, HEME C
著者Kerfeld, C.A, Serag, A.A, Sawaya, M.R, Krogmann, D.W, Yeates, T.O.
登録日2000-05-18
公開日2001-08-08
最終更新日2021-03-03
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structures of cytochrome c-549 and cytochrome c6 from the cyanobacterium Arthrospira maxima.
Biochemistry, 40, 2001
1R5Z
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BU of 1r5z by Molmil
Crystal Structure of Subunit C of V-ATPase
分子名称: V-type ATP synthase subunit C
著者Iwata, M, Imamura, H, Stambouli, E, Ikeda, C, Tamakoshi, M, Nagata, K, Makyio, H, Hankamer, B, Barber, J, Yoshida, M, Yokoyama, K, Iwata, S.
登録日2003-10-14
公開日2004-01-13
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of a central stalk subunit C and reversible association/dissociation of vacuole-type ATPase.
Proc.Natl.Acad.Sci.Usa, 101, 2004
1AR1
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Structure at 2.7 Angstrom Resolution of the Paracoccus Denitrificans two-subunit Cytochrome C Oxidase Complexed with an Antibody Fv Fragment
分子名称: ANTIBODY FV FRAGMENT, CALCIUM ION, COPPER (II) ION, ...
著者Ostermeier, C, Harrenga, A, Ermler, U, Michel, H.
登録日1997-08-08
公開日1998-02-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure at 2.7 A resolution of the Paracoccus denitrificans two-subunit cytochrome c oxidase complexed with an antibody FV fragment.
Proc.Natl.Acad.Sci.USA, 94, 1997
2TEC
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BU of 2tec by Molmil
MOLECULAR DYNAMICS REFINEMENT OF A THERMITASE-EGLIN-C COMPLEX AT 1.98 ANGSTROMS RESOLUTION AND COMPARISON OF TWO CRYSTAL FORMS THAT DIFFER IN CALCIUM CONTENT
分子名称: CALCIUM ION, EGLIN C, THERMITASE
著者Gros, P, Betzel, C, Dauter, Z, Wilson, K.S, Hol, W.G.J.
登録日1990-10-26
公開日1992-01-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Molecular dynamics refinement of a thermitase-eglin-c complex at 1.98 A resolution and comparison of two crystal forms that differ in calcium content.
J.Mol.Biol., 210, 1989
2E9N
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Structure of h-CHK1 complexed with A767085
分子名称: 3-(4'-HYDROXYBIPHENYL-4-YL)-N-(4-HYDROXYCYCLOHEXYL)-1,4-DIHYDROINDENO[1,2-C]PYRAZOLE-6-CARBOXAMIDE, Serine/threonine-protein kinase Chk1
著者Park, C.
登録日2007-01-26
公開日2008-01-29
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of 1,4-dihydroindeno[1,2-c]pyrazoles as a novel class of potent and selective checkpoint kinase 1 inhibitors.
Bioorg.Med.Chem., 15, 2007
4JIK
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BU of 4jik by Molmil
X-RAY Crystal structure of compound 22a (R)-2-(4-chlorophenyl)-8-(piperidin-3-ylamino)imidazo[1,2-c]pyrimidine-5-carboxamide bound to human chk1 kinase domain
分子名称: 2-(4-chlorophenyl)-8-[(3S)-piperidin-3-ylamino]imidazo[1,2-c]pyrimidine-5-carboxamide, Serine/threonine-protein kinase Chk1
著者Fischmann, T.O.
登録日2013-03-06
公開日2013-04-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Potency switch between CHK1 and MK2: discovery of imidazo[1,2-a]pyrazine- and imidazo[1,2-c]pyrimidine-based kinase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4KFP
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BU of 4kfp by Molmil
Identification of 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-derived Ureas as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
分子名称: 1,2-ETHANEDIOL, N-(4-{[1-(tetrahydro-2H-pyran-4-yl)piperidin-4-yl]sulfonyl}benzyl)-2H-pyrrolo[3,4-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ...
著者Dragovich, P.S, Bair, K.W, Baumeister, T, Ho, Y, Liederer, B.M, Liu, X, O'Brien, T, Oeh, J, Sampath, D, Skelton, N, Wang, L, Wang, W, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhang, L, Zheng, X.
登録日2013-04-27
公開日2013-08-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Identification of 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-derived ureas as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
1CU1
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BU of 1cu1 by Molmil
CRYSTAL STRUCTURE OF AN ENZYME COMPLEX FROM HEPATITIS C VIRUS
分子名称: PHOSPHATE ION, PROTEIN (PROTEASE/HELICASE NS3), ZINC ION
著者Yao, N, Weber, P.C.
登録日1999-08-20
公開日2000-08-23
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular views of viral polyprotein processing revealed by the crystal structure of the hepatitis C virus bifunctional protease-helicase.
Structure Fold.Des., 7, 1999
1EGP
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PROTEINASE INHIBITOR EGLIN C WITH HYDROLYSED REACTIVE CENTER
分子名称: EGLIN-C
著者Dauter, Z, Lamzin, V, Betzel, C, Wilson, K.S.
登録日1995-09-01
公開日1995-12-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the proteinase inhibitor eglin c with hydrolysed reactive centre at 2.0 A resolution.
FEBS Lett., 317, 1993
2PN3
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BU of 2pn3 by Molmil
Crystal Structure of Hepatitis C Virus IRES Subdomain IIa
分子名称: 5'-R(*CP*GP*GP*AP*GP*GP*AP*AP*CP*UP*AP*CP*UP*GP*UP*CP*UP*UP*CP*AP*CP*GP*CP*C)-3', 5'-R(*GP*CP*GP*(5BU)P*GP*UP*CP*GP*UP*GP*CP*AP*GP*CP*CP*(5BU)P*CP*CP*GP*G)-3', MAGNESIUM ION
著者Zhao, Q, Han, Q, Kissinger, C.R, Hermann, T, Thompson, P.A.
登録日2007-04-23
公開日2008-04-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure of hepatitis C virus IRES subdomain IIa.
Acta Crystallogr.,Sect.D, 64, 2008
2HD0
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Structure of the catalytic domain of hepatitis C virus NS2
分子名称: DECYL-BETA-D-MALTOPYRANOSIDE, Protease NS2-3 (p23), octyl beta-D-glucopyranoside
著者Lorenz, I.C, Rice, C.M, Marcotrigiano, J.
登録日2006-06-19
公開日2006-08-01
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structure of the catalytic domain of the hepatitis C virus NS2-3 protease.
Nature, 442, 2006
1JDR
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BU of 1jdr by Molmil
Crystal Structure of a Proximal Domain Potassium Binding Variant of Cytochrome c Peroxidase
分子名称: Cytochrome c Peroxidase, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE
著者Bonagura, C.A, Sundaramoorthy, M, Bhaskar, B, Poulos, T.L.
登録日2001-06-14
公開日2001-06-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The effects of an engineered cation site on the structure, activity, and EPR properties of cytochrome c peroxidase.
Biochemistry, 38, 1999
2NRR
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BU of 2nrr by Molmil
Crystal structure of the C-terminal RNAseH endonuclase domain of UvrC
分子名称: UvrABC system protein C
著者Karakas, E, Truglio, J.J, Kisker, C.
登録日2006-11-02
公開日2007-02-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structure of the C-terminal half of UvrC reveals an RNase H endonuclease domain with an Argonaute-like catalytic triad.
Embo J., 26, 2007
2NRX
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BU of 2nrx by Molmil
Crystal structure of the C-terminal half of UvrC, in the presence of sulfate molecules
分子名称: GLYCEROL, SULFATE ION, UvrABC system protein C
著者Karakas, E, Truglio, J.J, Kisker, C.
登録日2006-11-02
公開日2007-02-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of the C-terminal half of UvrC reveals an RNase H endonuclease domain with an Argonaute-like catalytic triad.
Embo J., 26, 2007
2NRV
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Crystal structure of the C-terminal half of UvrC
分子名称: SODIUM ION, UvrABC system protein C
著者Karakas, E, Truglio, J.J, Kisker, C.
登録日2006-11-02
公開日2007-02-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the C-terminal half of UvrC reveals an RNase H endonuclease domain with an Argonaute-like catalytic triad.
Embo J., 26, 2007
2NRT
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Crystal structure of the C-terminal half of UvrC
分子名称: CHLORIDE ION, UvrABC system protein C
著者Karakas, E, Truglio, J.J, Kisker, C.
登録日2006-11-02
公開日2007-02-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure of the C-terminal half of UvrC reveals an RNase H endonuclease domain with an Argonaute-like catalytic triad.
Embo J., 26, 2007
2NRZ
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Crystal structure of the C-terminal half of UvrC bound to its catalytic divalent cation
分子名称: MANGANESE (II) ION, UvrABC system protein C
著者Karakas, E, Truglio, J.J, Kisker, C.
登録日2006-11-02
公開日2007-02-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the C-terminal half of UvrC reveals an RNase H endonuclease domain with an Argonaute-like catalytic triad.
Embo J., 26, 2007
2E9O
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BU of 2e9o by Molmil
Structure of h-CHK1 complexed with AA582939
分子名称: 4-(6-{[(4-METHYLCYCLOHEXYL)AMINO]METHYL}-1,4-DIHYDROINDENO[1,2-C]PYRAZOL-3-YL)BENZOIC ACID, Serine/threonine-protein kinase Chk1
著者Park, C.
登録日2007-01-26
公開日2008-01-29
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of 1,4-dihydroindeno[1,2-c]pyrazoles as a novel class of potent and selective checkpoint kinase 1 inhibitors.
Bioorg.Med.Chem., 15, 2007
3BIZ
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Wee1 kinase complex with inhibitor PD331618
分子名称: 4-(2-chlorophenyl)-8-[3-(dimethylamino)propoxy]-9-hydroxy-6-methylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione, CHLORIDE ION, Wee1-like protein kinase
著者Squire, C.J, Dickson, J.M, Ivanovic, I, Baker, E.N.
登録日2007-12-02
公開日2007-12-25
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Synthesis and structure-activity relationships of soluble 8-substituted 4-(2-chlorophenyl)-9-hydroxypyrrolo[3,4-c]carbazole-1,3(2H,6H)-diones as inhibitors of the Wee1 and Chk1 checkpoint kinases.
Bioorg.Med.Chem.Lett., 18, 2008
1S05
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BU of 1s05 by Molmil
NMR-validated structural model for oxidized R.palustris cytochrome c556
分子名称: Cytochrome c-556, HEME C
著者Bertini, I, Faraone-Mennella, J, Gray, H.B, Luchinat, C, Parigi, G, Winkler, J.R.
登録日2003-12-30
公開日2004-01-20
最終更新日2021-03-03
実験手法SOLUTION NMR
主引用文献NMR-validated structural model for oxidized Rhodopseudomonas palustris cytochrome c(556).
J.Biol.Inorg.Chem., 9, 2004
2NRW
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Crystal structure of the C terminal half of UvrC
分子名称: UvrABC system protein C
著者Karakas, E, Truglio, J.J, Kisker, C.
登録日2006-11-02
公開日2007-02-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of the C-terminal half of UvrC reveals an RNase H endonuclease domain with an Argonaute-like catalytic triad.
Embo J., 26, 2007

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