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2HS1
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BU of 2hs1 by Molmil
Ultra-high resolution X-ray crystal structure of HIV-1 protease V32I mutant with TMC114 (darunavir) inhibitor
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Weber, I.T, Kovalevsky, A.Y.
登録日2006-07-20
公開日2006-10-03
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (0.84 Å)
主引用文献Ultra-high Resolution Crystal Structure of HIV-1 Protease Mutant Reveals Two Binding Sites for Clinical Inhibitor TMC114.
J.Mol.Biol., 363, 2006
2HUJ
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BU of 2huj by Molmil
Crystal structure of a protein of uknown function (NP_471338.1) from Listeria innocua at 1.74 A resolution
分子名称: Lin2004 protein
著者Joint Center for Structural Genomics (JCSG)
登録日2006-07-26
公開日2006-08-08
最終更新日2023-01-25
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Crystal structures of MW1337R and lin2004: representatives of a novel protein family that adopt a four-helical bundle fold.
Proteins, 71, 2008
3EO1
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BU of 3eo1 by Molmil
Structure of the Fab Fragment of GC-1008 in Complex with Transforming Growth Factor-Beta 3
分子名称: GC-1008 Fab Heavy Chain, GC-1008 Fab Light Chain, Transforming growth factor beta-3
著者Gruetter, C, Gruetter, M.G.
登録日2008-09-26
公開日2008-12-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献A cytokine-neutralizing antibody as a structural mimetic of 2 receptor interactions
Proc.Natl.Acad.Sci.Usa, 105, 2008
7JQC
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BU of 7jqc by Molmil
SARS-CoV-2 Nsp1, CrPV IRES and rabbit 40S ribosome complex
分子名称: 40S ribosomal protein S21, 40S ribosomal protein S24, 40S ribosomal protein S26, ...
著者Yuan, S, Xiong, Y.
登録日2020-08-10
公開日2020-12-02
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Nonstructural Protein 1 of SARS-CoV-2 Is a Potent Pathogenicity Factor Redirecting Host Protein Synthesis Machinery toward Viral RNA.
Mol.Cell, 80, 2020
4KXL
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BU of 4kxl by Molmil
Crystal structure of DNPH1 (RCL) with 6-CYCLOPENTYL-AMP
分子名称: 2'-deoxynucleoside 5'-phosphate N-hydrolase 1, N-cyclopentyladenosine 5'-(dihydrogen phosphate), SULFATE ION
著者Padilla, A, Labesse, G, Kaminski, P.A.
登録日2013-05-27
公開日2014-02-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献N (6)-substituted AMPs inhibit mammalian deoxynucleotide N-hydrolase DNPH1.
Plos One, 8, 2013
3QUD
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BU of 3qud by Molmil
Human p38 MAP Kinase in Complex with 2-amino-phenylamino-benzophenone
分子名称: Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside, {4-[(2-aminophenyl)amino]phenyl}(phenyl)methanone
著者Gruetter, C, Rauh, D.
登録日2011-02-23
公開日2012-04-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Resolving the selectivity problem for p38 mitogen activated protein (MAP) Kinase-inhibitors: Development of new highly potent inhibitors of p38 MAP kinase with an outstanding selectivity profile
To be Published
5NB6
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BU of 5nb6 by Molmil
Complement factor D in complex with the inhibitor (2S,4S)-4-Amino-pyrrolidine-1,2-dicarboxylic acid 1-[(1-carbamoyl-1H-indol-3-yl)-amide] 2-[(3-trifluoromethoxy-phenyl)-amide]
分子名称: (2~{S},4~{S})-~{N}1-(1-aminocarbonylindol-3-yl)-4-azanyl-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide, Complement factor D
著者Mac Sweeney, A, Ostermann, N.
登録日2017-03-01
公開日2017-06-28
最終更新日2017-07-26
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Discovery of Highly Potent and Selective Small-Molecule Reversible Factor D Inhibitors Demonstrating Alternative Complement Pathway Inhibition in Vivo.
J. Med. Chem., 60, 2017
4LIQ
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BU of 4liq by Molmil
Structure of the extracellular domain of human CSF-1 receptor in complex with the Fab fragment of RG7155
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab fragment RG7155 heavy chain, Fab fragment RG7155 light chain, ...
著者Benz, J, Gorr, I.H, Hertenberger, H, Ries, C.H.
登録日2013-07-03
公開日2014-06-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Targeting tumor-associated macrophages with anti-CSF-1R antibody reveals a strategy for cancer therapy
Cancer Cell, 25, 2014
3NWV
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BU of 3nwv by Molmil
Human cytochrome c G41S
分子名称: Cytochrome c, HEME C
著者Fagerlund, R.D, Wilbanks, S.M.
登録日2010-07-11
公開日2011-03-09
最終更新日2019-10-02
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Proapoptotic G41S Mutation to Human Cytochrome c Alters the Heme Electronic Structure and Increases the Electron Self-Exchange Rate.
J.Am.Chem.Soc., 133, 2011
7JQB
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BU of 7jqb by Molmil
SARS-CoV-2 Nsp1 and rabbit 40S ribosome complex
分子名称: 40S ribosomal protein S21, 40S ribosomal protein S24, 40S ribosomal protein S26, ...
著者Yuan, S, Xiong, Y.
登録日2020-08-10
公開日2020-12-02
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Nonstructural Protein 1 of SARS-CoV-2 Is a Potent Pathogenicity Factor Redirecting Host Protein Synthesis Machinery toward Viral RNA.
Mol.Cell, 80, 2020
5NAT
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BU of 5nat by Molmil
Complement factor D in complex with the inhibitor (S)-Pyrrolidine-1,2-dicarboxylic acid 1-[(1-methyl-1H-indol-3-yl)-amide] 2-[(3-trifluoromethoxy-phenyl)-amide]
分子名称: (2~{S})-~{N}1-(1-methylindol-3-yl)-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide, Complement factor D, GLYCEROL
著者Mac Sweeney, A, Ostermann, N.
登録日2017-02-28
公開日2018-03-21
最終更新日2019-10-02
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Discovery of Highly Potent and Selective Small-Molecule Reversible Factor D Inhibitors Demonstrating Alternative Complement Pathway Inhibition in Vivo.
J.Med.Chem., 60, 2017
4KXN
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BU of 4kxn by Molmil
Crystal structure of DNPH1 (RCL) with kinetine riboside monophosphate
分子名称: 2'-deoxynucleoside 5'-phosphate N-hydrolase 1, N-(furan-2-ylmethyl)adenosine 5'-(dihydrogen phosphate)
著者Padilla, A, Labesse, G, Kaminski, P.A.
登録日2013-05-27
公開日2014-02-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献N (6)-substituted AMPs inhibit mammalian deoxynucleotide N-hydrolase DNPH1.
Plos One, 8, 2013
4KXM
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BU of 4kxm by Molmil
Crystal structure of DNPH1 (RCL) WITH N6-ISOPENTENYL-AMP
分子名称: 2'-deoxynucleoside 5'-phosphate N-hydrolase 1, N6-ISOPENTENYL-ADENOSINE-5'-MONOPHOSPHATE
著者Padilla, A, Labesse, G, Kaminski, P.A.
登録日2013-05-27
公開日2014-02-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献N (6)-substituted AMPs inhibit mammalian deoxynucleotide N-hydrolase DNPH1.
Plos One, 8, 2013
1FKA
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BU of 1fka by Molmil
STRUCTURE OF FUNCTIONALLY ACTIVATED SMALL RIBOSOMAL SUBUNIT AT 3.3 A RESOLUTION
分子名称: 16S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ...
著者Schluenzen, F, Tocilj, A, Zarivach, R, Harms, J, Gluehmann, M, Janell, D, Bashan, A, Bartels, H, Agmon, I, Franceschi, F, Yonath, A.
登録日2000-08-09
公開日2000-09-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structure of functionally activated small ribosomal subunit at 3.3 angstroms resolution.
Cell(Cambridge,Mass.), 102, 2000
3QUE
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BU of 3que by Molmil
Human p38 MAP Kinase in Complex with Skepinone-L
分子名称: 2-[(2,4-difluorophenyl)amino]-7-{[(2R)-2,3-dihydroxypropyl]oxy}-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-one, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Gruetter, C, Mayer-Wrangowski, S, Richters, A, Rauh, D.
登録日2011-02-23
公開日2012-01-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Skepinone-L is a selective p38 mitogen-activated protein kinase inhibitor.
Nat.Chem.Biol., 8, 2012
1PMA
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BU of 1pma by Molmil
PROTEASOME FROM THERMOPLASMA ACIDOPHILUM
分子名称: PROTEASOME
著者Loewe, J, Stock, D, Jap, B, Zwickl, P, Baumeister, W, Huber, R.
登録日1994-12-19
公開日1996-06-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Crystal structure of the 20S proteasome from the archaeon T. acidophilum at 3.4 A resolution.
Science, 268, 1995
3O98
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BU of 3o98 by Molmil
Glutathionylspermidine synthetase/amidase C59A complex with ADP and Gsp
分子名称: ADENOSINE-5'-DIPHOSPHATE, Bifunctional glutathionylspermidine synthetase/amidase, GLUTATHIONYLSPERMIDINE, ...
著者Pai, C.H, Lin, C.H, Wang, A.H.-J.
登録日2010-08-04
公開日2011-03-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure and mechanism of Escherichia coli glutathionylspermidine amidase belonging to the family of cysteine; histidine-dependent amidohydrolases/peptidases
Protein Sci., 20, 2011
7L5D
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BU of 7l5d by Molmil
The crystal structure of SARS-CoV-2 Main Protease in complex with demethylated analog of masitinib
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Tan, K, Maltseva, N.I, Jedrzejczak, R.P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-12-21
公開日2020-12-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Masitinib is a broad coronavirus 3CL inhibitor that blocks replication of SARS-CoV-2.
Science, 373, 2021
2ETS
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BU of 2ets by Molmil
CRYSTAL STRUCTURE OF A BACTERIAL DOMAIN OF UNKNOWN FUNCTION FROM DUF1798 FAMILY (MW1337) FROM STAPHYLOCOCCUS AUREUS SUBSP. AUREUS AT 2.25 A RESOLUTION
分子名称: CHLORIDE ION, PHOSPHATE ION, hypothetical protein
著者Joint Center for Structural Genomics (JCSG)
登録日2005-10-27
公開日2005-11-08
最終更新日2023-01-25
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal structures of MW1337R and lin2004: representatives of a novel protein family that adopt a four-helical bundle fold.
Proteins, 71, 2008
3EO0
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BU of 3eo0 by Molmil
Structure of the Transforming Growth Factor-Beta Neutralizing Antibody GC-1008
分子名称: GC-1008 Fab Heavy Chain, GC-1008 Fab Light Chain, GLYCEROL
著者Gruetter, C, Gruetter, M.G.
登録日2008-09-26
公開日2008-12-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献A cytokine-neutralizing antibody as a structural mimetic of 2 receptor interactions
Proc.Natl.Acad.Sci.Usa, 105, 2008
2F46
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BU of 2f46 by Molmil
Crystal structure of a putative phosphatase (nma1982) from neisseria meningitidis z2491 at 1.41 A resolution
分子名称: CHLORIDE ION, UNKNOWN LIGAND, hypothetical protein
著者Joint Center for Structural Genomics (JCSG)
登録日2005-11-22
公開日2006-02-07
最終更新日2023-01-25
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Crystal structure of NMA1982 from Neisseria meningitidis at 1.5 A resolution provides a structural scaffold for nonclassical, eukaryotic-like phosphatases.
Proteins, 69, 2007
7GAT
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BU of 7gat by Molmil
SOLUTION NMR STRUCTURE OF THE L22V MUTANT DNA BINDING DOMAIN OF AREA COMPLEXED TO A 13 BP DNA CONTAINING A TGATA SITE, 34 STRUCTURES
分子名称: DNA (5'-D(*CP*AP*GP*TP*GP*AP*TP*AP*GP*AP*GP*AP*C)-3'), DNA (5'-D(*GP*TP*CP*TP*CP*TP*AP*TP*CP*AP*CP*TP*G)-3'), NITROGEN REGULATORY PROTEIN AREA, ...
著者Clore, G.M, Starich, M, Wikstrom, M, Gronenborn, A.M.
登録日1997-11-07
公開日1998-01-28
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献The solution structure of the Leu22-->Val mutant AREA DNA binding domain complexed with a TGATAG core element defines a role for hydrophobic packing in the determination of specificity.
J.Mol.Biol., 277, 1998
2F8G
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BU of 2f8g by Molmil
HIV-1 protease mutant I50V complexed with inhibitor TMC114
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETIC ACID, CHLORIDE ION, ...
著者Kovalevsky, A.Y, Weber, I.T.
登録日2005-12-02
公開日2006-03-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Effectiveness of Nonpeptide Clinical Inhibitor TMC-114 on HIV-1 Protease with Highly Drug Resistant Mutations D30N, I50V, and L90M.
J.Med.Chem., 49, 2006
2F80
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HIV-1 Protease mutant D30N complexed with inhibitor TMC114
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, POL POLYPROTEIN, ...
著者Kovalevsky, A.Y, Weber, I.T.
登録日2005-12-01
公開日2006-03-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Effectiveness of Nonpeptide Clinical Inhibitor TMC-114 on HIV-1 Protease with Highly Drug Resistant Mutations D30N, I50V, and L90M.
J.Med.Chem., 49, 2006
3H0N
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Crystal structure of a duf1470 family protein (jann_2411) from jannaschia sp. ccs1 at 1.45 A resolution
分子名称: ACETATE ION, GLYCEROL, NICKEL (II) ION, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2009-04-09
公開日2009-04-21
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献The structure of Jann_2411 (DUF1470) from Jannaschia sp. at 1.45  resolution reveals a new fold (the ABATE domain) and suggests its possible role as a transcription regulator.
Acta Crystallogr.,Sect.F, 66, 2010

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