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1BZ3
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BU of 1bz3 by Molmil
STABILIZATION OF THE ANTICODON STEM-LOOP OF TRNALYS,3 BY AN A+C BASE PAIR AND BY PSEUDOURIDINE, NMR, 1 STRUCTURE
Descriptor: TRNA
Authors:Durant, P.C, Davis, D.R.
Deposit date:1998-11-05
Release date:1999-04-27
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Stabilization of the anticodon stem-loop of tRNALys,3 by an A+-C base-pair and by pseudouridine.
J.Mol.Biol., 285, 1999
6BQK
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BU of 6bqk by Molmil
CRYSTAL STRUCTURE OF HEPATIS C VIRUS PROTEASE (NS3) COMPLEXED WITH TRIPEPTIDIC ACYL SULFONAMIDE INHIBITOR (COMPOUND 18)
Descriptor: N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-[(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-(difluoromethyl)cyclopropyl]-L-prolinamide, NS3 protease, ZINC ION
Authors:Klei, H.E, Sack, J.S.
Deposit date:2017-11-28
Release date:2018-03-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Potent Inhibitors of Hepatitis C Virus NS3 Protease: Employment of a Difluoromethyl Group as a Hydrogen-Bond Donor.
ACS Med Chem Lett, 9, 2018
6BQJ
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BU of 6bqj by Molmil
CRYSTAL STRUCTURE OF HEPATIS C VIRUS PROTEASE (NS3) COMPLEXED WITH TRIPEPTIDIC ACYL SULFONAMIDE INHIBITOR (COMPOUND 16)
Descriptor: ACETATE ION, CHLORIDE ION, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(2S)-1-[(cyclopropylsulfonyl)amino]-4,4-difluoro-1-oxobutan-2-yl}-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide, ...
Authors:Klei, H.E, Sack, J.S.
Deposit date:2017-11-28
Release date:2018-03-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Potent Inhibitors of Hepatitis C Virus NS3 Protease: Employment of a Difluoromethyl Group as a Hydrogen-Bond Donor.
ACS Med Chem Lett, 9, 2018
1UNC
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BU of 1unc by Molmil
Solution structure of the human villin C-terminal headpiece subdomain
Descriptor: VILLIN 1
Authors:Vermeulen, W, Van Troys, M, Vanhaesebrouck, P, Verschueren, M, Fant, F, Ampe, C, Martins, J, Borremans, F.
Deposit date:2003-09-09
Release date:2004-07-15
Last modified:2024-11-13
Method:SOLUTION NMR
Cite:Solution Structures of the C-Terminal Headpiece Subdomains of Human Villin and Advillin, Evaluation of Headpiece F-Actin-Binding Requirements
Protein Sci., 13, 2004
4Z0X
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BU of 4z0x by Molmil
Structure of Hepatitis C Virus Envelope glycoprotein E2 antigenic region 434-446 bound to the broadly neutralizing antibody HC26AM
Descriptor: Antibody HC26AM heavy chain variable domain, Antibody HC26AM light chain variable domain, HCV E2 Antigen (residues 432-446)
Authors:Rangarajan, S, Shahid, S, Mariuzza, R.A.
Deposit date:2015-03-26
Release date:2016-07-20
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Affinity maturation of a broadly neutralizing human monoclonal antibody that prevents acute hepatitis C virus infection in mice.
Hepatology, 64, 2016
5UJ2
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BU of 5uj2 by Molmil
Crystal structure of HCV NS5B genotype 2A JFH-1 isolate with S15G E86Q E87Q C223H V321I mutations and Delta8 neta hairpoin loop deletion in complex with GS-639476 (diphsohate version of GS-9813), Mn2+ and symmetrical primer template 5'-AUAAAUUU
Descriptor: (1S)-1-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-1,4-anhydro-2-deoxy-2-fluoro-5-O-[(S)-hydroxy(phosphonooxy)phosphoryl]-2-methyl-D-ribitol, CHLORIDE ION, Genome polyprotein, ...
Authors:Edwards, T.E, Fox III, D, Appleby, T.C, Murakami, E, Rey, A, McGrath, M.E.
Deposit date:2017-01-16
Release date:2017-03-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery of a 2'-fluoro-2'-C-methyl C-nucleotide HCV polymerase inhibitor and a phosphoramidate prodrug with favorable properties.
Bioorg. Med. Chem. Lett., 27, 2017
2KT6
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BU of 2kt6 by Molmil
Structural homology between the C-terminal domain of the PapC usher and its plug
Descriptor: Outer membrane usher protein papC
Authors:Ford, B, Rego, A, Ragan, T.J, Pinkner, J, Dodson, K, Driscoll, P.C, Hultgren, S, Waksman, G.
Deposit date:2010-01-19
Release date:2010-04-21
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:Structural Homology between the C-Terminal Domain of the PapC Usher and Its Plug.
J.Bacteriol., 192, 2010
4MIB
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BU of 4mib by Molmil
Hepatitis C Virus polymerase NS5B genotype 1b (BK) in complex with Compound 48 (N-({(3S)-1-[6-tert-butyl-5-methoxy-8-(2-oxo-1,2-dihydropyridin-3-yl)quinolin-3-yl]pyrrolidin-3-yl}methyl)methanesulfonamide)
Descriptor: DIMETHYL SULFOXIDE, N-({(3S)-1-[6-tert-butyl-5-methoxy-8-(2-oxo-1,2-dihydropyridin-3-yl)quinolin-3-yl]pyrrolidin-3-yl}methyl)methanesulfonamide, RNA-DIRECTED RNA POLYMERASE
Authors:Harris, S.F, Villasenor, A.G.
Deposit date:2013-08-30
Release date:2014-05-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of N-[4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-1H-pyridin-3-yl)-3-quinolyl]phenyl]methanesulfonamide (RG7109), a potent inhibitor of the hepatitis C virus NS5B polymerase.
J.Med.Chem., 57, 2014
4MIA
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BU of 4mia by Molmil
Hepatitis C Virus polymerase NS5B genotype 1b (BK) in complex with RG7109 (N-{4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-2,5-dihydropyridin-3-yl)quinolin-3-yl]phenyl}methanesulfonamide)
Descriptor: N-{4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-2,5-dihydropyridin-3-yl)quinolin-3-yl]phenyl}methanesulfonamide, RNA-directed RNA polymerase, ZINC ION
Authors:Harris, S.F, Villasenor, A.G.
Deposit date:2013-08-30
Release date:2014-05-07
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of N-[4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-1H-pyridin-3-yl)-3-quinolyl]phenyl]methanesulfonamide (RG7109), a potent inhibitor of the hepatitis C virus NS5B polymerase.
J.Med.Chem., 57, 2014
3EL8
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BU of 3el8 by Molmil
Crystal structure of c-Src in complex with pyrazolopyrimidine 5
Descriptor: 1-{4-[4-amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea, Proto-oncogene tyrosine-protein kinase Src
Authors:Dar, A.C, Lopez, M.S, Shokat, K.M.
Deposit date:2008-09-20
Release date:2008-10-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Small molecule recognition of c-Src via the Imatinib-binding conformation.
Chem.Biol., 15, 2008
3G01
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BU of 3g01 by Molmil
Structure of GrC mutant E192R/E193G
Descriptor: Granzyme C
Authors:Buckle, A.M, Kaiserman, D, Whisstock, J.C.
Deposit date:2009-01-27
Release date:2009-03-17
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of granzyme C reveals an unusual mechanism of protease autoinhibition
Proc.Natl.Acad.Sci.USA, 106, 2009
3LG8
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BU of 3lg8 by Molmil
Crystal structure of the C-terminal part of subunit E (E101-206) from Methanocaldococcus jannaschii of A1AO ATP synthase
Descriptor: A-type ATP synthase subunit E
Authors:Balakrishna, A.M, Manimekalai, M.S.S, Hunke, C, Gayen, S, Jeyakanthan, J, Gruber, G.
Deposit date:2010-01-19
Release date:2010-07-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (4.1 Å)
Cite:Crystal and solution structure of the C-terminal part of the Methanocaldococcus jannaschii A1AO ATP synthase subunit E revealed by X-ray diffraction and small-angle X-ray scattering
J.Bioenerg.Biomembr., 42, 2010
7LRG
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BU of 7lrg by Molmil
Filamentous actin decorated with human cardiac myosin binding protein C C2 domain
Descriptor: Actin, alpha cardiac muscle 1, Myosin-binding protein C, ...
Authors:Galkin, V.E.
Deposit date:2021-02-16
Release date:2021-08-11
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (6.1 Å)
Cite:Interaction of the C2 Ig-like Domain of Cardiac Myosin Binding Protein-C with F-actin.
J.Mol.Biol., 433, 2021
4AEX
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BU of 4aex by Molmil
HCV-JFH1 NS5B POLYMERASE STRUCTURE AT 2.4 ANGSTROM in a primitive orthorhombic space group
Descriptor: PHOSPHATE ION, RNA-DIRECTED RNA POLYMERASE
Authors:Caillet-Saguy, C, Bressanelli, S.
Deposit date:2012-01-12
Release date:2012-05-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Two Crucial Early Steps in RNA Synthesis by the Hepatitis C Virus Polymerase Involve a Dual Role of Residue 405.
J.Virol., 86, 2012
2XHW
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BU of 2xhw by Molmil
HCV-J4 NS5B Polymerase Trigonal Crystal Form
Descriptor: RNA-directed RNA polymerase
Authors:Harrus, D, Ahmed-El-Sayed, N, Simister, P.C, Miller, S, Triconnet, M, Hagedorn, C.H, Mahias, K, Rey, F.A, Astier-Gin, T, Bressanelli, S.
Deposit date:2010-06-21
Release date:2010-08-04
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Further Insights Into the Roles of GTP and the C- Terminus of the Hepatitis C Virus Polymerase in the Initiation of RNA Synthesis
J.Biol.Chem., 285, 2010
3EL7
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BU of 3el7 by Molmil
Crystal structure of c-Src in complex with pyrazolopyrimidine 3
Descriptor: 1-{3-[(4-amino-1-cyclopentyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea, Proto-oncogene tyrosine-protein kinase Src
Authors:Dar, A.C, Lopez, M.S, Shokat, K.M.
Deposit date:2008-09-20
Release date:2008-10-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Small molecule recognition of c-Src via the Imatinib-binding conformation.
Chem.Biol., 15, 2008
1A7H
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BU of 1a7h by Molmil
GAMMA S CRYSTALLIN C-TERMINAL DOMAIN
Descriptor: GAMMAS CRYSTALLIN
Authors:Basak, A.K, Slingsby, C.
Deposit date:1998-03-13
Release date:1998-05-27
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:The C-terminal domains of gammaS-crystallin pair about a distorted twofold axis.
Protein Eng., 11, 1998
3FZZ
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BU of 3fzz by Molmil
Structure of GrC
Descriptor: Granzyme C, SULFATE ION
Authors:Buckle, A.M, Kaiserman, D, Whisstock, J.C.
Deposit date:2009-01-27
Release date:2009-03-17
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of granzyme C reveals an unusual mechanism of protease autoinhibition
Proc.Natl.Acad.Sci.USA, 106, 2009
7JNT
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BU of 7jnt by Molmil
CRYSTAL STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE 2 (ROCK2) IN COMPLEX WITH A POTENT AND SELECTIVE DUAL ROCK INHIBITOR
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, N-[(3-methoxyphenyl)methyl]-5H-[1]benzopyrano[3,4-c]pyridine-8-carboxamide, ...
Authors:Muckelbauer, J.K.
Deposit date:2020-08-05
Release date:2020-09-02
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.214 Å)
Cite:Identification of 5H-chromeno[3,4-c]pyridine and 6H-isochromeno[3,4-c]pyridine derivatives as potent and selective dual ROCK inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
3TEB
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BU of 3teb by Molmil
endonuclease/exonuclease/phosphatase family protein from Leptotrichia buccalis C-1013-b
Descriptor: Endonuclease/exonuclease/phosphatase, MAGNESIUM ION
Authors:Chang, C, Bigelow, L, Muniez, I, Bearden, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2011-08-12
Release date:2011-08-31
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Crystal structure of endonuclease/exonuclease/phosphatase family protein from Leptotrichia buccalis C-1013-b
To be Published
4OO9
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BU of 4oo9 by Molmil
Structure of the human class C GPCR metabotropic glutamate receptor 5 transmembrane domain in complex with the negative allosteric modulator mavoglurant
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mavoglurant, Metabotropic glutamate receptor 5, ...
Authors:Dore, A.S, Okrasa, K, Patel, J.C, Serrano-Vega, M, Bennett, K, Cooke, R.M, Errey, J.C, Jazayeri, A, Khan, S, Tehan, B, Weir, M, Wiggin, G.R, Marshall, F.H.
Deposit date:2014-01-31
Release date:2014-07-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of class C GPCR metabotropic glutamate receptor 5 transmembrane domain.
Nature, 511, 2014
4OAY
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BU of 4oay by Molmil
BldD CTD-c-di-GMP complex
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), DNA-binding protein
Authors:Schumacher, M.A, Tschowri, N, Buttner, M, Brennan, R.G.
Deposit date:2014-01-06
Release date:2014-11-19
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Tetrameric c-di-GMP mediates effective transcription factor dimerization to control Streptomyces development.
Cell(Cambridge,Mass.), 158, 2014
3N3T
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BU of 3n3t by Molmil
Crystal structure of putative diguanylate cyclase/phosphodiesterase complex with cyclic di-gmp
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CHLORIDE ION, MAGNESIUM ION, ...
Authors:Chang, C, Xu, X, Cui, H, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-05-20
Release date:2010-06-16
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural insight into the mechanism of c-di-GMP hydrolysis by EAL domain phosphodiesterases.
J.Mol.Biol., 402, 2010
7Y3A
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BU of 7y3a by Molmil
Crystal structure of TRIM7 bound to 2C
Descriptor: E3 ubiquitin-protein ligase TRIM7,E3 ubiquitin-protein ligase TRIM7,E3 ubiquitin-protein ligase TRIM7,TRIM7-2C
Authors:Dong, C, Yan, X.
Deposit date:2022-06-10
Release date:2022-08-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:C-terminal glutamine acts as a C-degron targeted by E3 ubiquitin ligase TRIM7.
Proc.Natl.Acad.Sci.USA, 119, 2022
3KNX
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BU of 3knx by Molmil
HCV NS3 protease domain with P1-P3 macrocyclic ketoamide inhibitor
Descriptor: (2R)-2-{(3S,13S,16aS,17aR,17bS)-13-[({(1S)-1-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-2,2-dimethylpropyl}carbamoyl)amino]-17,17-dimethyl-1,14-dioxooctadecahydro-2H-cyclopropa[3,4]pyrrolo[1,2-a][1,4]diazacyclohexadecin-3-yl}-2-hydroxy-N-prop-2-en-1-ylethanamide, BETA-MERCAPTOETHANOL, HCV NS3 Protease, ...
Authors:Venkatraman, S, Velazquez, F, Wu, W, Blackman, M, Chen, K.X, Bogen, S, Nair, L, Tong, X, Chase, R, Hart, A, Agrawal, S, Pichardo, J, Prongay, A, Cheng, K.-C, Girijavallabhan, V, Piwinski, J, Shih, N.-Y, Njoroge, F.G.
Deposit date:2009-11-12
Release date:2010-10-27
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery and structure-activity relationship of P1-P3 ketoamide derived macrocyclic inhibitors of hepatitis C virus NS3 protease.
J.Med.Chem., 52, 2009

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