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5PZP
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BU of 5pzp by Molmil
CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS NS5B RNA-DEPENDENT RNA POLYMERASE IN COMPLEX WITH 4-FLUORO-2-(4-FLUOROPHENYL)-N-METHYL-5-(2-METHYL-5-{[1-(PYRIMIDIN-2-YL)CYCLOPROPYL]CARBAMOYL}PHENYL)-1-BENZOFURAN-3-CARBOXAMIDE (BMS-929075)
Descriptor: (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid, 4-fluoro-2-(4-fluorophenyl)-N-methyl-5-(2-methyl-5-{[1-(pyrimidin-2-yl)cyclopropyl]carbamoyl}phenyl)-1-benzofuran-3-carboxamide, GLYCEROL, ...
Authors:Sheriff, S.
Deposit date:2017-02-27
Release date:2017-05-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Discovery of a Hepatitis C Virus NS5B Replicase Palm Site Allosteric Inhibitor (BMS-929075) Advanced to Phase 1 Clinical Studies.
J. Med. Chem., 60, 2017
1Z8P
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Ferrous dioxygen complex of the A245S cytochrome P450eryF
Descriptor: 6-DEOXYERYTHRONOLIDE B, 6-deoxyerythronolide B hydroxylase, OXYGEN MOLECULE, ...
Authors:Poulos, T.L, Nagano, S.
Deposit date:2005-03-31
Release date:2005-04-12
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structures of the ferrous dioxygen complex of wild-type cytochrome P450eryF and its mutants, A245S and A245T: investigation of the proton transfer system in P450eryF.
J.Biol.Chem., 280, 2005
5CDW
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BU of 5cdw by Molmil
Crystal Structure Analysis of a mutant Grb2 SH2 domain (W121G) with a pYVNV peptide
Descriptor: Growth factor receptor-bound protein 2, SER-PTR-VAL-ASN-VAL-GLN
Authors:Papaioannou, D, Geibel, S, Kunze, M, Kay, C, Waksman, G.
Deposit date:2015-07-05
Release date:2016-05-25
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.602 Å)
Cite:Structural and biophysical investigation of the interaction of a mutant Grb2 SH2 domain (W121G) with its cognate phosphopeptide.
Protein Sci., 25, 2016
3B6H
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BU of 3b6h by Molmil
Crystal structure of human prostacyclin synthase in complex with inhibitor minoxidil
Descriptor: 6-PIPERIDIN-1-YLPYRIMIDINE-2,4-DIAMINE 3-OXIDE, PROTOPORPHYRIN IX CONTAINING FE, Prostacyclin synthase, ...
Authors:Li, Y.-C, Chiang, C.-W, Yeh, H.-C, Hsu, P.-Y, Whitby, F.G, Wang, L.-H, Chan, N.-L.
Deposit date:2007-10-29
Release date:2007-11-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structures of Prostacyclin Synthase and Its Complexes with Substrate Analog and Inhibitor Reveal a Ligand-specific Heme Conformation Change
J.Biol.Chem., 283, 2008
1R4U
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BU of 1r4u by Molmil
URATE OXIDASE FROM ASPERGILLUS FLAVUS COMPLEXED WITH ITS INHIBITOR OXONIC ACID
Descriptor: OXONIC ACID, Uricase
Authors:Retailleau, P, Colloc'h, N, Prange, T.
Deposit date:2003-10-08
Release date:2004-03-02
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Complexed and ligand-free high-resolution structures of urate oxidase (Uox) from Aspergillus flavus: a reassignment of the active-site binding mode.
Acta Crystallogr.,Sect.D, 60, 2004
6M6Y
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BU of 6m6y by Molmil
Crystal structure of Mycobacterium smegmatis MutT1 in complex with 8-oxo-dGTP
Descriptor: 1,2-ETHANEDIOL, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Hydrolase, ...
Authors:Raj, P, Karthik, S, Arif, S.M, Varshney, U, Vijayan, M.
Deposit date:2020-03-16
Release date:2020-10-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Plasticity, ligand conformation and enzyme action of Mycobacterium smegmatis MutT1.
Acta Crystallogr D Struct Biol, 76, 2020
6M72
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BU of 6m72 by Molmil
Crystal structure of Mycobacterium smegmatis MutT1 in complex with 8-oxo-dGDP
Descriptor: 2'-deoxy-8-oxoguanosine 5'-(trihydrogen diphosphate), Hydrolase, NUDIX family protein, ...
Authors:Raj, P, Karthik, S, Arif, S.M, Varshney, U, Vijayan, M.
Deposit date:2020-03-16
Release date:2020-10-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Plasticity, ligand conformation and enzyme action of Mycobacterium smegmatis MutT1.
Acta Crystallogr D Struct Biol, 76, 2020
5V57
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BU of 5v57 by Molmil
3.0A SYN structure of the multi-domain human smoothened receptor in complex with TC114
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, FLAVIN MONONUCLEOTIDE, N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-4-nitro-2-(trifluoromethyl)benzamide, ...
Authors:Zhang, X, Zhao, F, Wu, Y, Yang, J, Han, G.W, Zhao, S, Ishchenko, A, Ye, L, Lin, X, Ding, K, Dharmarajan, V, Griffin, P.R, Gati, C, Nelson, G, Hunter, M.S, Hanson, M.A, Cherezov, V, Stevens, R.C, Tan, W, Tao, H, Xu, F.
Deposit date:2017-03-13
Release date:2017-05-24
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of a multi-domain human smoothened receptor in complex with a super stabilizing ligand.
Nat Commun, 8, 2017
2WSA
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BU of 2wsa by Molmil
Crystal Structure of Leishmania major N-myristoyltransferase (NMT) with bound myristoyl-CoA and a pyrazole sulphonamide ligand (DDD85646)
Descriptor: 2,6-dichloro-4-(2-piperazin-1-ylpyridin-4-yl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA
Authors:Robinson, D.A, Brand, S, Fairlamb, A.H, Ferguson, M.A.J, Frearson, J.A, Wyatt, P.G, Structural Genomics Consortium (SGC)
Deposit date:2009-09-04
Release date:2010-03-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:N-Myristoyltransferase Inhibitors as New Leads to Treat Sleeping Sickness.
Nature, 464, 2010
1R56
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BU of 1r56 by Molmil
UNCOMPLEXED URATE OXIDASE FROM ASPERGILLUS FLAVUS
Descriptor: DI(HYDROXYETHYL)ETHER, Uricase
Authors:Retailleau, P, Colloc'h, N, Prange, T.
Deposit date:2003-10-09
Release date:2004-03-02
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Complexed and ligand-free high-resolution structures of urate oxidase (Uox) from Aspergillus flavus: a reassignment of the active-site binding mode.
Acta Crystallogr.,Sect.D, 60, 2004
1N5Z
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BU of 1n5z by Molmil
Complex structure of Pex13p SH3 domain with a peptide of Pex14p
Descriptor: 14-mer peptide from Peroxisomal membrane protein PEX14, Peroxisomal membrane protein PAS20
Authors:Douangamath, A, Filipp, F.V, Klein, A.T.J, Barnett, P, Zou, P, Voorn-Brouwer, T, Vega, M.C, Mayans, O.M, Sattler, M, Distel, B, Wilmanns, M.
Deposit date:2002-11-08
Release date:2002-12-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Topography for Independent Binding of alpha-Helical and PPII-Helical Ligands to a Peroxisomal SH3 Domain
MOL.CELL, 10, 2002
3VQI
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BU of 3vqi by Molmil
Crystal structure of Kluyveromyces marxianus Atg5
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Atg5, SULFATE ION
Authors:Yamaguchi, M, Noda, N.N, Yamamoto, H, Shima, T, Kumeta, H, Kobashigawa, Y, Akada, R, Ohsumi, Y, Inagaki, F.
Deposit date:2012-03-24
Release date:2012-08-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insights into atg10-mediated formation of the autophagy-essential atg12-atg5 conjugate
Structure, 20, 2012
5AN3
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BU of 5an3 by Molmil
Structure of an Sgt1-Skp1 Complex
Descriptor: SGT1, SUPPRESSOR OF KINETOCHORE PROTEIN 1
Authors:Willhoft, O, Vaughan, C.K.
Deposit date:2015-09-03
Release date:2017-02-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:The crystal structure of the Sgt1-Skp1 complex: the link between Hsp90 and both SCF E3 ubiquitin ligases and kinetochores.
Sci Rep, 7, 2017
1Z8O
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BU of 1z8o by Molmil
Ferrous dioxygen complex of the wild-type cytochrome P450eryF
Descriptor: 6-DEOXYERYTHRONOLIDE B, 6-deoxyerythronolide B hydroxylase, OXYGEN MOLECULE, ...
Authors:Nagano, S, Cupp-Vickery, J.R, Poulos, T.L.
Deposit date:2005-03-31
Release date:2005-04-12
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structures of the ferrous dioxygen complex of wild-type cytochrome P450eryF and its mutants, A245S and A245T: investigation of the proton transfer system in P450eryF.
J.Biol.Chem., 280, 2005
5QJ1
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BU of 5qj1 by Molmil
CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS GENOTYPE 2A STRAIN JFH1 L30S NS5B RNA-DEPENDENT RNA POLYMERASE IN COMPLEX WITH 6-(ethylamino)-2-(4-fluorophenyl)-5-(3-{[1-(5-fluoropyrimidin-2-yl)cyclopropyl]carbamoyl}-4-methoxyphenyl)-N-methyl-1-benzofuran-3-carboxamide
Descriptor: 6-(ethylamino)-2-(4-fluorophenyl)-5-(3-{[1-(5-fluoropyrimidin-2-yl)cyclopropyl]carbamoyl}-4-methoxyphenyl)-N-methyl-1-benzofuran-3-carboxamide, GLYCEROL, RNA-dependent RNA polymerase, ...
Authors:Sheriff, S.
Deposit date:2018-08-13
Release date:2018-11-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structure-Property Basis for Solving Transporter-Mediated Efflux and Pan-Genotypic Inhibition in HCV NS5B Inhibitors.
ACS Med Chem Lett, 9, 2018
2ARA
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BU of 2ara by Molmil
APO FORM OF ESCHERICHIA COLI REGULATORY PROTEIN ARAC
Descriptor: ARAC
Authors:Soisson, S.M, Wolberger, C.
Deposit date:1996-10-30
Release date:1997-05-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for ligand-regulated oligomerization of AraC.
Science, 276, 1997
1R51
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BU of 1r51 by Molmil
URATE OXIDASE FROM ASPERGILLUS FLAVUS COMPLEXED WITH ITS INHIBITOR 8-AZAXANTHIN
Descriptor: 8-AZAXANTHINE, CYSTEINE, Uricase
Authors:Prange, T, Retailleau, P, Colloc'h, N.
Deposit date:2003-10-09
Release date:2004-03-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Complexed and ligand-free high-resolution structures of urate oxidase (Uox) from Aspergillus flavus: a reassignment of the active-site binding mode.
Acta Crystallogr.,Sect.D, 60, 2004
1R4S
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BU of 1r4s by Molmil
URATE OXIDASE FROM ASPERGILLUS FLAVUS COMPLEXED WITH ITS INHIBITOR 9-METHYL URIC ACID
Descriptor: 9-METHYL URIC ACID, CYSTEINE, Uricase
Authors:Retailleau, P, Colloc'h, N, Prange, T.
Deposit date:2003-10-08
Release date:2004-03-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Complexed and ligand-free high-resolution structures of urate oxidase (Uox) from Aspergillus flavus: a reassignment of the active-site binding mode.
Acta Crystallogr.,Sect.D, 60, 2004
2ARC
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BU of 2arc by Molmil
ESCHERICHIA COLI REGULATORY PROTEIN ARAC COMPLEXED WITH L-ARABINOSE
Descriptor: ARABINOSE OPERON REGULATORY PROTEIN, alpha-L-arabinopyranose
Authors:Soisson, S.M, Wolberger, C.
Deposit date:1996-10-29
Release date:1997-05-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis for ligand-regulated oligomerization of AraC.
Science, 276, 1997
2Q7Z
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BU of 2q7z by Molmil
Solution Structure of the 30 SCR domains of human Complement Receptor 1
Descriptor: Complement receptor type 1
Authors:Furtado, P.B, Huang, C.Y, Ihyembe, D, Hammond, R.A, Marsh, H.C, Perkins, S.J.
Deposit date:2007-06-08
Release date:2007-10-16
Last modified:2024-02-21
Method:SOLUTION SCATTERING
Cite:The Partly Folded Back Solution Structure Arrangement of the 30 SCR Domains in Human Complement Receptor Type 1 (CR1) Permits Access to its C3b and C4b Ligands
J.Mol.Biol., 375, 2008
8HN8
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BU of 8hn8 by Molmil
Cryo-EM structure of ligand histamine-bound Histamine H4 receptor Gi complex
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Tang, W.Q, Sun, X.Y, Li, F.H, Wang, J.Y.
Deposit date:2022-12-07
Release date:2023-12-20
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure insights into Histamine H4 receptor activation by an endogenous ligand histamine and agonist imetit
To Be Published
2J0D
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BU of 2j0d by Molmil
Crystal structure of human P450 3A4 in complex with erythromycin
Descriptor: CYTOCHROME P450 3A4, ERYTHROMYCIN A, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sjogren, T, Ekroos, M.
Deposit date:2006-08-02
Release date:2006-09-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural Basis for Ligand Promiscuity in Cytochrome P450 3A4
Proc.Natl.Acad.Sci.USA, 103, 2006
1WB0
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BU of 1wb0 by Molmil
specificity and affinity of natural product cyclopentapeptide inhibitor Argifin against human chitinase
Descriptor: ARGIFIN, CHITOTRIOSIDASE 1, GLYCEROL, ...
Authors:Rao, F.V, Houston, D.R, Boot, R.G, Aerts, J.M.F.G, Hodkinson, M, Adams, D.J, Shiomi, K, Omura, S, Van Aalten, D.M.F.
Deposit date:2004-10-29
Release date:2005-01-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Specificity and Affinity of Natural Product Cyclopentapeptide Inhibitors Against Aspergillus Fumigatus, Human and Bacterial Chitinases
Chem.Biol., 12, 2005
1WIG
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BU of 1wig by Molmil
Solution structure of RSGI RUH-019, a LIM domain of actin binding LIM protein 2 (KIAA1808 protein) from human cDNA
Descriptor: KIAA1808 protein, ZINC ION
Authors:Abe, T, Hirota, H, Koshiba, S, Kigawa, T, Hayashi, F, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-05-28
Release date:2004-11-28
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of RSGI RUH-019, a LIM domain of actin binding LIM protein 2 (KIAA1808 protein) from human cDNA
To be Published
1WGT
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BU of 1wgt by Molmil
X-RAY STRUCTURE OF WHEAT GERM AGGLUTININ ISOLECTIN 3
Descriptor: WHEAT GERM LECTIN
Authors:Harata, K, Nagahora, H, Jigami, Y.
Deposit date:1995-04-17
Release date:1995-07-10
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray structure of wheat germ agglutinin isolectin 3.
Acta Crystallogr.,Sect.D, 51, 1995

238895

数据于2025-07-16公开中

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