4C4J
 
 | | Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic kinase MPS1 | | Descriptor: | 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 | | Authors: | 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. | | Deposit date: | 2013-09-05 | | Release date: | 2013-12-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | 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
|
|
3PYE
 | | Mycobacterium tuberculosis 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase (IspE) in complex with CDPME | | Descriptor: | 4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYTHRITOL, 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase | | Authors: | Shan, S, Chen, X.H, Liu, T, Zhao, H.C, Rao, Z.H, Lou, Z.Y. | | Deposit date: | 2010-12-13 | | Release date: | 2012-01-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Structural Basis for anti-TB Drug Discovery targeting of 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase (IspE) from Mycobacterium tuberculosis
To be Published
|
|
2PN3
 | | Crystal Structure of Hepatitis C Virus IRES Subdomain IIa | | Descriptor: | 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 | | Authors: | Zhao, Q, Han, Q, Kissinger, C.R, Hermann, T, Thompson, P.A. | | Deposit date: | 2007-04-23 | | Release date: | 2008-04-01 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure of hepatitis C virus IRES subdomain IIa.
Acta Crystallogr.,Sect.D, 64, 2008
|
|
1MK8
 | | Crystal Structure of a Mutant Cytochrome c Peroxidase showing a Novel Trp-Tyr Covalent Cross-link | | Descriptor: | Cytochrome c Peroxidase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Bhaskar, B, Immoos, C.E, Shimizu, H, Farmer, P.J, Poulos, T.L. | | Deposit date: | 2002-08-28 | | Release date: | 2003-04-08 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | A Novel Heme and Peroxide-Dependent Tryptophan-Tyrosine Cross-Link in a Mutant of Cytochrome c Peroxidase
J.Mol.Biol., 328, 2003
|
|
1MKQ
 | | Crystal Structure of the Mutant Variant of Cytochrome c Peroxidase in the 'Open' Uncross-linked form | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Cytochrome c Peroxidase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Bhaskar, B, Immoos, C.E, Shimizu, H, Farmer, P.J, Poulos, T.L. | | Deposit date: | 2002-08-29 | | Release date: | 2003-04-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | A Novel Heme and Peroxide-Dependent Tryptophan-Tyrosine Cross-Link in a Mutant of Cytochrome c Peroxidase
J.Mol.Biol., 328, 2003
|
|
1SOH
 | |
1LM2
 | | NMR structural characterization of the reduction of chromium(VI) to chromium(III) by cytochrome c7 | | Descriptor: | CHROMIUM ION, HEME C, cytochrome c7 | | Authors: | Assfalg, M, Bertini, I, Bruschi, M, Michel, C, Turano, P. | | Deposit date: | 2002-04-30 | | Release date: | 2002-07-31 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | The metal reductase activity of some multiheme cytochromes c: NMR structural characterization of the reduction of chromium(VI) to chromium(III) by cytochrome c(7).
Proc.Natl.Acad.Sci.USA, 99, 2002
|
|
1ML2
 | | Crystal Structure of a Mutant Variant of Cytochrome c Peroxidase with Zn(II)-(20-oxo-Protoporphyrin IX) | | Descriptor: | 20-OXO-PROTOPORPHYRIN IX CONTAINING ZN(II), Cytochrome c Peroxidase | | Authors: | Bhaskar, B, Immoos, C.E, Shimizu, H, Farmer, P.J, Poulos, T.L. | | Deposit date: | 2002-08-29 | | Release date: | 2003-04-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | A Novel Heme and Peroxide-Dependent Tryptophan-Tyrosine Cross-Link in a Mutant of Cytochrome c Peroxidase
J.Mol.Biol., 328, 2003
|
|
1ELU
 | | COMPLEX BETWEEN THE CYSTINE C-S LYASE C-DES AND ITS REACTION PRODUCT CYSTEINE PERSULFIDE. | | Descriptor: | 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-PROPIONIC ACID, L-CYSTEINE/L-CYSTINE C-S LYASE, POTASSIUM ION, ... | | Authors: | Clausen, T, Kaiser, J.T, Steegborn, C, Huber, R, Kessler, D. | | Deposit date: | 2000-03-14 | | Release date: | 2000-04-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal structure of the cystine C-S lyase from Synechocystis: stabilization of cysteine persulfide for FeS cluster biosynthesis.
Proc.Natl.Acad.Sci.USA, 97, 2000
|
|
1DTL
 | | CRYSTAL STRUCTURE OF CALCIUM-SATURATED (3CA2+) CARDIAC TROPONIN C COMPLEXED WITH THE CALCIUM SENSITIZER BEPRIDIL AT 2.15 A RESOLUTION | | Descriptor: | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE, CALCIUM ION, CARDIAC TROPONIN C | | Authors: | Li, Y, Love, M.L, Putkey, J.A, Cohen, C. | | Deposit date: | 2000-01-12 | | Release date: | 2000-05-12 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Bepridil opens the regulatory N-terminal lobe of cardiac troponin C.
Proc.Natl.Acad.Sci.USA, 97, 2000
|
|
2HD0
 | |
2NRZ
 | |
2NRR
 | |
2NRX
 | | Crystal structure of the C-terminal half of UvrC, in the presence of sulfate molecules | | Descriptor: | GLYCEROL, SULFATE ION, UvrABC system protein C | | Authors: | Karakas, E, Truglio, J.J, Kisker, C. | | Deposit date: | 2006-11-02 | | Release date: | 2007-02-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of the C-terminal half of UvrC reveals an RNase H endonuclease domain with an Argonaute-like catalytic triad.
Embo J., 26, 2007
|
|
2I8F
 | |
2NRT
 | |
2NRV
 | |
1BLQ
 | | STRUCTURE AND INTERACTION SITE OF THE REGULATORY DOMAIN OF TROPONIN-C WHEN COMPLEXED WITH THE 96-148 REGION OF TROPONIN-I, NMR, 29 STRUCTURES | | Descriptor: | N-TROPONIN C | | Authors: | Mckay, R.T, Pearlstone, J.R, Corson, D.C, Gagne, S.M, Smillie, L.B, Sykes, B.D. | | Deposit date: | 1998-07-19 | | Release date: | 1999-01-13 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure and interaction site of the regulatory domain of troponin-C when complexed with the 96-148 region of troponin-I.
Biochemistry, 37, 1998
|
|
1EGP
 | |
2IA8
 | | Kinetic and Crystallographic Studies of a Redesigned Manganese-Binding Site in Cytochrome c Peroxidase | | Descriptor: | Cytochrome c peroxidase, mitochondrial, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Pfister, T, Mirarefi, A.Y, Gengenbach, A.J, Zhao, X, Conaster, C.D.N, Gao, Y.G, Robinson, H, Zukoski, C.F, Wang, A.H.J, Lu, Y. | | Deposit date: | 2006-09-07 | | Release date: | 2007-08-28 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Kinetic and crystallographic studies of a redesigned manganese-binding site in cytochrome c peroxidase
J.Biol.Inorg.Chem., 12, 2007
|
|
2NRW
 | |
1F1F
 | | CRYSTAL STRUCTURE OF CYTOCHROME C6 FROM ARTHROSPIRA MAXIMA | | Descriptor: | CYTOCHROME C6, HEME C | | Authors: | Kerfeld, C.A, Serag, A.A, Sawaya, M.R, Krogmann, D.W, Yeates, T.O. | | Deposit date: | 2000-05-18 | | Release date: | 2001-08-08 | | Last modified: | 2021-03-03 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structures of cytochrome c-549 and cytochrome c6 from the cyanobacterium Arthrospira maxima.
Biochemistry, 40, 2001
|
|
2ICV
 | | Kinetic and Crystallographic Studies of a Redesigned Manganese-Binding Site in Cytochrome c Peroxidase | | Descriptor: | COBALT (II) ION, Cytochrome c peroxidase, mitochondrial, ... | | Authors: | Pfister, T, Mirarefi, A.Y, Gengenbach, A.J, Zhao, X, Conaster, C.D.N, Gao, Y.G, Robinson, H, Zukoski, C.F, Wang, A.H.J, Lu, Y. | | Deposit date: | 2006-09-13 | | Release date: | 2007-08-28 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Kinetic and crystallographic studies of a redesigned manganese-binding site in cytochrome c peroxidase
J.Biol.Inorg.Chem., 12, 2007
|
|
1CU1
 | | CRYSTAL STRUCTURE OF AN ENZYME COMPLEX FROM HEPATITIS C VIRUS | | Descriptor: | PHOSPHATE ION, PROTEIN (PROTEASE/HELICASE NS3), ZINC ION | | Authors: | Yao, N, Weber, P.C. | | Deposit date: | 1999-08-20 | | Release date: | 2000-08-23 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Molecular views of viral polyprotein processing revealed by the crystal structure of the hepatitis C virus bifunctional protease-helicase.
Structure Fold.Des., 7, 1999
|
|
3BIZ
 | | Wee1 kinase complex with inhibitor PD331618 | | Descriptor: | 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 | | Authors: | Squire, C.J, Dickson, J.M, Ivanovic, I, Baker, E.N. | | Deposit date: | 2007-12-02 | | Release date: | 2007-12-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | 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
|
|
