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4QNV
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Crystal structure of Cx-SAM bound CmoB from E. coli in P6122
分子名称: (2S)-4-[{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(carboxylatomethyl)sulfonio] -2-ammoniobutanoate, PHOSPHATE ION, tRNA (mo5U34)-methyltransferase
著者Kim, J, Toro, R, Bhosle, R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2014-06-18
公開日2014-09-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Determinants of the CmoB carboxymethyl transferase utilized for selective tRNA wobble modification.
Nucleic Acids Res., 43, 2015
4QNZ
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BU of 4qnz by Molmil
Crystal structure of rhomboid intramembrane protease GlpG F146I in complex with peptide derived inhibitor Ac-FATA-cmk
分子名称: ACE-PHE-ALA-THR-ALA-0QE, CHLORIDE ION, Rhomboid protease GlpG, ...
著者Zoll, S, Strisovsky, K.
登録日2014-06-19
公開日2014-09-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Substrate binding and specificity of rhomboid intramembrane protease revealed by substrate-peptide complex structures.
Embo J., 33, 2014
3ZV8
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Crystal structure of 3C protease of Enterovirus 68
分子名称: 3C PROTEASE
著者Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R.
登録日2011-07-24
公開日2012-08-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses.
J.Virol., 87, 2013
3ZVF
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3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 85
分子名称: 3C PROTEASE, N-[(benzyloxy)carbonyl]-O-tert-butyl-L-seryl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide
著者Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R.
登録日2011-07-24
公開日2012-08-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses.
J.Virol., 87, 2013
3ZXR
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Crystal structure of Mycobacterium Tuberculosis Glutamine Synthetase in complex with tri-substituted imidazole inhibitor (3-(2-tert-butyl- 5-(pyridin-4-yl)-1H-imidazol-4-yl)quinoline) and L-methionine-S- sulfoximine phosphate.
分子名称: 3-(2-TERT-BUTYL-5-(PYRIDIN-4-YL)-1H-IMIDAZOL-4-YL)QUINOLINE, CHLORIDE ION, GLUTAMINE SYNTHETASE 1, ...
著者Nilsson, M.T, Mowbray, S.L.
登録日2011-08-15
公開日2012-04-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Trisubstituted Imidazoles as Mycobacterium Tuberculosis Glutamine Synthetase Inhibitors.
J.Med.Chem., 55, 2012
4QDO
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BU of 4qdo by Molmil
Crystal structure of Ag85C co-crystallized with p-chloromercuribenzoic acid
分子名称: ACETATE ION, Diacylglycerol acyltransferase/mycolyltransferase Ag85C
著者Favrot, L, Lajiness, D.H, Ronning, D.R.
登録日2014-05-14
公開日2014-07-09
最終更新日2014-09-24
実験手法X-RAY DIFFRACTION (1.899 Å)
主引用文献Inactivation of the Mycobacterium tuberculosis Antigen 85 Complex by Covalent, Allosteric Inhibitors.
J.Biol.Chem., 289, 2014
4QDU
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Crystal structure of Antigen 85C co-crystallized with ebselen
分子名称: Diacylglycerol acyltransferase/mycolyltransferase Ag85C
著者Favrot, L, Lajiness, D.H, Ronning, D.R.
登録日2014-05-14
公開日2014-07-09
最終更新日2014-09-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Inactivation of the Mycobacterium tuberculosis Antigen 85 Complex by Covalent, Allosteric Inhibitors.
J.Biol.Chem., 289, 2014
4QE3
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Crystal structure of Antigen 85C-H260Q mutant
分子名称: ACETIC ACID, CHAPSO, Diacylglycerol acyltransferase/mycolyltransferase Ag85C
著者Favrot, L, Lajiness, D.H, Ronning, D.R.
登録日2014-05-15
公開日2014-07-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.351 Å)
主引用文献Inactivation of the Mycobacterium tuberculosis Antigen 85 Complex by Covalent, Allosteric Inhibitors.
J.Biol.Chem., 289, 2014
3ZVB
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3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 81
分子名称: 3C PROTEASE, ETHYL (4R)-4-{[N-(TERT-BUTOXYCARBONYL)-L-PHENYLALANYL]AMINO}-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENTANOATE
著者Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R.
登録日2011-07-24
公開日2012-08-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses.
J.Virol., 87, 2013
3ZVE
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3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 84
分子名称: 3C PROTEASE, O-tert-butyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-threonyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide
著者Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R.
登録日2011-07-24
公開日2012-08-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses.
J.Virol., 87, 2013
4RAG
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BU of 4rag by Molmil
CRYSTAL STRUCTURE of PPC2A-D38K
分子名称: MANGANESE (II) ION, Protein phosphatase 1A
著者Pan, C, Tang, J.Y, Xu, Y.F, Xiao, P, Liu, H.D, Wang, H.A, Wang, W.B, Meng, F.G, Yu, X, Sun, J.P.
登録日2014-09-10
公開日2015-08-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The catalytic role of the M2 metal ion in PP2C alpha
Sci Rep, 5, 2015
3PWV
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An immmunodominant CTL epitope from rinderpest virus presented by cattle MHC class I molecule N*01801 (BoLA-A11)
分子名称: 9-mer peptide from Hemagglutinin, Beta-2-microglobulin, MHC class I antigen
著者Li, X, Liu, J, Qi, J, Gao, F, Li, Q, Li, X, Zhang, N, Xia, C, Gao, G.F.
登録日2010-12-09
公開日2011-08-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.696 Å)
主引用文献Two distinct conformations of a rinderpest virus epitope presented by bovine major histocompatibility complex class I N*01801: a host strategy to present featured peptides
J.Virol., 85, 2011
3K1G
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Crystal structure of Dipeptide Epimerase from Enterococcus faecalis V583 complexed with Mg and dipeptide L-Ser-L-Tyr
分子名称: Dipeptide Epimerase, GLYCEROL, MAGNESIUM ION, ...
著者Fedorov, A.A, Fedorov, E.V, Imker, H.J, Sakai, A, Gerlt, J.A, Almo, S.C.
登録日2009-09-27
公開日2010-08-18
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
3UFR
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BU of 3ufr by Molmil
Structure of rat nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(((E)-5-(3-fluorophenyl)pent-4-en-1-yl)oxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-{[(3E)-4-(3-fluorophenyl)but-3-en-1-yl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2011-11-01
公開日2012-07-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.097 Å)
主引用文献Selective monocationic inhibitors of neuronal nitric oxide synthase. Binding mode insights from molecular dynamics simulations.
J.Am.Chem.Soc., 134, 2012
3UFT
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Structure of rat nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(4-(3-chloro-5-fluorophenoxy)butoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-({(3R,4R)-4-[4-(3-chloro-5-fluorophenoxy)butoxy]pyrrolidin-3-yl}methyl)-4-methylpyridin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2011-11-01
公開日2012-07-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.078 Å)
主引用文献Selective monocationic inhibitors of neuronal nitric oxide synthase. Binding mode insights from molecular dynamics simulations.
J.Am.Chem.Soc., 134, 2012
3UNH
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BU of 3unh by Molmil
Mouse 20S immunoproteasome
分子名称: CHLORIDE ION, IODIDE ION, POTASSIUM ION, ...
著者Huber, E, Basler, M, Schwab, R, Heinemeyer, W, Kirk, C, Groettrup, M, Groll, M.
登録日2011-11-15
公開日2012-02-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Immuno- and constitutive proteasome crystal structures reveal differences in substrate and inhibitor specificity.
Cell(Cambridge,Mass.), 148, 2012
3AW0
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Structure of SARS 3CL protease with peptidic aldehyde inhibitor
分子名称: 3C-Like Proteinase, peptide ACE-SER-ALA-VAL-LEU-HIS-H
著者Akaji, K, Konno, H, Mitsui, H, Teruya, K, Hattori, Y, Ozaki, T, Kusunoki, M, Sanjho, A.
登録日2011-03-09
公開日2011-12-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-Based Design, Synthesis, and Evaluation of Peptide-Mimetic SARS 3CL Protease Inhibitors.
J.Med.Chem., 54, 2011
4R1C
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Crystal Structure of 3D7 strain Plasmodium falciparum AMA1
分子名称: Apical membrane antigen 1, AMA1
著者Lim, S.S, Norton, R.S, McGowan, S.
登録日2014-08-04
公開日2015-01-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure and Dynamics of Apical Membrane Antigen 1 from Plasmodium falciparum FVO.
Biochemistry, 53, 2014
3UFW
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Structure of rat nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-((5-(6-aminopyridin-2-yl)pentyl)oxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-{[5-(6-aminopyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2011-11-01
公開日2012-07-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Selective monocationic inhibitors of neuronal nitric oxide synthase. Binding mode insights from molecular dynamics simulations.
J.Am.Chem.Soc., 134, 2012
3UT5
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Tubulin-Colchicine-Ustiloxin: Stathmin-like domain complex
分子名称: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Ranaivoson, F.M, Gigant, B, Knossow, M.
登録日2011-11-25
公開日2012-08-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Structural plasticity of tubulin assembly probed by vinca-domain ligands.
Acta Crystallogr.,Sect.D, 68, 2012
3Q3K
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Factor Xa in complex with a phenylenediamine derivative
分子名称: Activated factor Xa heavy chain, CALCIUM ION, Factor X light chain, ...
著者Suzuki, M, Imai, E.
登録日2010-12-22
公開日2011-12-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design, synthesis and SAR of novel ethylenediamine and phenylenediamine derivatives as factor Xa inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3ZVC
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3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 82
分子名称: 3C PROTEASE, ETHYL (5S,8S,11R)-8-BENZYL-5-(3-TERT-BUTOXY-3-OXOPROPYL)-3,6,9-TRIOXO-11-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}-1-PHENYL-2-OXA-4,7,10-TRIAZATETRADECAN-14-OATE
著者Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R.
登録日2011-07-24
公開日2012-08-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses.
J.Virol., 87, 2013
3AW1
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Structure of SARS 3CL protease auto-proteolysis resistant mutant in the absent of inhibitor
分子名称: 3C-Like Proteinase
著者Akaji, K, Konno, H, Mitsui, H, Teruya, K, Hattori, Y, Ozaki, T, Kusunoki, M, Sanjho, A.
登録日2011-03-09
公開日2011-12-14
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Based Design, Synthesis, and Evaluation of Peptide-Mimetic SARS 3CL Protease Inhibitors.
J.Med.Chem., 54, 2011
3KM8
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Crystal structuore of adenosine deaminase from mus musculus complexed with 9-deazainosine
分子名称: 9-DEAZAINOSINE, Adenosine deaminase, ZINC ION
著者Fan, X, Gao, Y.
登録日2009-11-10
公開日2010-10-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Catalytic Mechanism of Adenosine Deaminase from Mouse: An Experimental and Theoretical Study
To be Published
3ZVA
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3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 75
分子名称: 3C PROTEASE, ETHYL (4R)-4-({N-[(BENZYLOXY)CARBONYL]-L-PHENYLALANYL}AMINO)-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENTANOATE
著者Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R.
登録日2011-07-24
公開日2012-08-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses.
J.Virol., 87, 2013

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