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PDB: 34568 件
4LZ0
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A236G Epi-isozizaene synthase: Complex with Mg, inorganic pyrophosphate and benzyl triethyl ammonium cation
分子名称: Epi-isozizaene synthase, MAGNESIUM ION, N-benzyl-N,N-diethylethanaminium, ...
著者Li, R, Chou, W, Himmelberger, J.A, Litwin, K, Harris, G, Cane, D.E, Christianson, D.W.
登録日2013-07-31
公開日2013-12-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.754 Å)
主引用文献Reprogramming the Chemodiversity of Terpenoid Cyclization by Remolding the Active Site Contour of epi-Isozizaene Synthase.
Biochemistry, 53, 2014
7T46
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Structure of SARS-CoV-2 3CL protease in complex with inhibitor 8c
分子名称: (1R,2S)-1-hydroxy-2-{[N-({[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-1-hydroxy-2-{[N-({[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase
著者Lovell, S, Liu, L, Battaile, K.P, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O.
登録日2021-12-09
公開日2021-12-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease.
J.Med.Chem., 65, 2022
7T48
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Structure of SARS-CoV-2 3CL protease in complex with inhibitor 9c
分子名称: (1R,2S)-2-{[N-({[(2r,4R)-7-acetyl-7-azaspiro[3.5]non-5-en-2-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[7-(phenylacetyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, 3C-like proteinase, ...
著者Lovell, S, Liu, L, Battaile, K.P, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O.
登録日2021-12-09
公開日2021-12-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease.
J.Med.Chem., 65, 2022
6IZ5
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Crystal Structure Analysis of a Eukaryotic Membrane Protein
分子名称: Trimeric intracellular cation channel type B-B
著者Li, D, Su, M, Hendrickson, W.A, Chen, Y.H.
登録日2018-12-18
公開日2019-05-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.701 Å)
主引用文献Structural basis for activity of TRIC counter-ion channels in calcium release.
Proc.Natl.Acad.Sci.USA, 116, 2019
1SK5
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The ultra-high resolution structure of d(CTTTTAAAAG)2: modulation of bending by T-A steps and its role in DNA recognition
分子名称: 5'-D(*CP*TP*TP*TP*TP*AP*AP*AP*AP*G)-3', CALCIUM ION
著者Han, G.W, Langs, D, Kopka, M.L, Dickerson, R.E.
登録日2004-03-04
公開日2005-06-21
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (0.89 Å)
主引用文献The ultra-high resolution structure of d(CTTTTAAAAG)2: modulation of bending by T-A steps and its role in DNA recognition
To be Published
3QV8
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Crystal structure of Leishmania mexicana pyruvate kinase(LmPYK)in complex with benzothiazole-2,5-disulfonic acid.
分子名称: 1,3-benzothiazole-2,5-disulfonic acid, PHOSPHATE ION, Pyruvate kinase
著者Morgan, H.P, Auld, D.S, McNae, I.W, Nowicki, M.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D.
登録日2011-02-25
公開日2011-06-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献The trypanocidal drug suramin and other trypan blue mimetics are inhibitors of pyruvate kinases and bind to the adenosine site.
J.Biol.Chem., 286, 2011
3HRZ
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Cobra Venom Factor (CVF) in complex with human factor B
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cobra venom factor, ...
著者Janssen, B.J.C, Gomes, L, Koning, R.I, Svergun, D.I, Koster, A.J, Fritzinger, D.C, Vogel, C.-W, Gros, P.
登録日2009-06-10
公開日2009-07-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Insights into complement convertase formation based on the structure of the factor B-cobra venom factor complex
Embo J., 28, 2009
7T41
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Structure of MERS 3CL protease in complex with inhibitor 14c
分子名称: (1R,2S)-2-{[N-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid, 3C-like proteinase
著者Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O.
登録日2021-12-09
公開日2021-12-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease.
J.Med.Chem., 65, 2022
7T44
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Structure of SARS-CoV-2 3CL protease in complex with inhibitor 4c
分子名称: (1R,2S)-2-[(N-{[(2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-1-hydroxy-2-{[N-({[2-(methanesulfonyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ...
著者Liu, L, Lovell, S, Battaile, K.P, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O.
登録日2021-12-09
公開日2021-12-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease.
J.Med.Chem., 65, 2022
7T43
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Structure of SARS-CoV-2 3CL protease in complex with inhibitor 3c
分子名称: (1R,2S)-1-hydroxy-2-[(N-{[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-1-hydroxy-2-[(N-{[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ...
著者Liu, L, Lovell, S, Battaile, K.P, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O.
登録日2021-12-09
公開日2021-12-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease.
J.Med.Chem., 65, 2022
6J0L
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BU of 6j0l by Molmil
Crystal structure of intracellular B30.2 domain of BTN3A3 mutant in complex with sulfate ion
分子名称: Butyrophilin subfamily 3 member A3, SULFATE ION
著者Yang, Y.Y, Liu, W.D, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H.
登録日2018-12-24
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation.
Immunity, 50, 2019
4D3X
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BU of 4d3x by Molmil
The structure of mature legumain from chinese hamster.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, LEGUMAIN
著者Li, W, Heinz, D.W, Krausze, J.
登録日2014-10-24
公開日2016-01-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.848 Å)
主引用文献A Detailed Look Into Chinese Hamster Legumain Active Site Structure and Exploration of its Function
To be Published
621P
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BU of 621p by Molmil
THREE-DIMENSIONAL STRUCTURES OF H-RAS P21 MUTANTS: MOLECULAR BASIS FOR THEIR INABILITY TO FUNCTION AS SIGNAL SWITCH MOLECULES
分子名称: H-RAS P21 PROTEIN, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
著者Krengel, U, Scherer, A, Kabsch, W, Wittinghofer, A, Pai, E.F.
登録日1991-06-06
公開日1994-01-31
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Three-dimensional structures of H-ras p21 mutants: molecular basis for their inability to function as signal switch molecules.
Cell(Cambridge,Mass.), 62, 1990
7T9K
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Cryo-EM structure of SARS-CoV-2 Omicron spike protein in complex with human ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ...
著者Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Tuttle, K.S, Subramaniam, S.
登録日2021-12-19
公開日2021-12-29
最終更新日2022-05-18
実験手法ELECTRON MICROSCOPY (2.45 Å)
主引用文献SARS-CoV-2 Omicron variant: Antibody evasion and cryo-EM structure of spike protein-ACE2 complex.
Science, 375, 2022
1OT3
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Crystal structure of Drosophila deoxyribonucleotide kinase complexed with the substrate deoxythymidine
分子名称: Deoxyribonucleoside Kinase, SULFATE ION, THYMIDINE
著者Mikkelsen, N.E, Johansson, K, Karlsson, A, Knecht, W, Andersen, G, Piskur, J, Munch-Petersen, B, Eklund, H.
登録日2003-03-21
公開日2003-05-27
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Basis for Feedback Inhibition of the Deoxyribonucleoside Salvage Pathway: Studies of the Drosophila Deoxyribonucleoside Kinase.
Biochemistry, 42, 2003
6J2A
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The structure of HLA-A*3003/NP44
分子名称: Beta-2-microglobulin, HLA-A*3003, NP44
著者Zhu, S.Y, Liu, K.F, Chai, Y, Ding, C.M, Lv, J.X, Gao, F.G, Lou, Y.L, Liu, W.J.
登録日2018-12-31
公開日2019-09-25
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Divergent Peptide Presentations of HLA-A*30 Alleles Revealed by Structures With Pathogen Peptides.
Front Immunol, 10, 2019
1EYE
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BU of 1eye by Molmil
1.7 ANGSTROM RESOLUTION CRYSTAL STRUCTURE OF 6-HYDROXYMETHYL-7,8-DIHYDROPTEROATE SYNTHASE (DHPS) FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH 6-HYDROXYMETHYLPTERIN MONOPHOSPHATE
分子名称: DIHYDROPTEROATE SYNTHASE I, MAGNESIUM ION, PTERIN-6-YL-METHYL-MONOPHOSPHATE
著者Baca, A.M, Sirawaraporn, R, Turley, S, Sirawaraporn, W, Hol, W.G.J.
登録日2000-05-05
公開日2000-10-11
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of Mycobacterium tuberculosis 7,8-dihydropteroate synthase in complex with pterin monophosphate: new insight into the enzymatic mechanism and sulfa-drug action.
J.Mol.Biol., 302, 2000
6IZ6
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BU of 6iz6 by Molmil
Crystal Structure Analysis of TRIC counter-ion channels in calcium release
分子名称: CALCIUM ION, Trimeric intracellular cation channel type B-B
著者Liu, X.L, Wang, X.H, Su, M, Hendrickson, W.A, Chen, Y.H.
登録日2018-12-18
公開日2019-05-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.293 Å)
主引用文献Structural basis for activity of TRIC counter-ion channels in calcium release.
Proc.Natl.Acad.Sci.USA, 116, 2019
6IZF
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BU of 6izf by Molmil
Structural basis for activity of TRIC counter-ion channels in calcium release
分子名称: (2R)-1-(dodecanoyloxy)-3-hydroxypropan-2-yl (5E,8E,11E)-tetradeca-5,8,11-trienoate, CALCIUM ION, CHLORIDE ION, ...
著者Wang, X.H, Zeng, Y, Su, M, Hendrickson, W.A, Chen, Y.H.
登録日2018-12-19
公開日2019-05-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for activity of TRIC counter-ion channels in calcium release.
Proc.Natl.Acad.Sci.USA, 116, 2019
6J1W
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BU of 6j1w by Molmil
The structure of HLA-A*3001/RT313
分子名称: ALA-ILE-PHE-GLN-SER-SER-MET-THR-LYS, Beta-2-microglobulin, HLA-A*3001
著者Zhu, S.Y, Liu, K.F, Chai, Y, Ding, C.M, Lv, J.X, Gao, G.F, Lou, Y.L, Liu, W.J.
登録日2018-12-29
公開日2019-09-25
実験手法X-RAY DIFFRACTION (1.501 Å)
主引用文献Divergent Peptide Presentations of HLA-A*30 Alleles Revealed by Structures With Pathogen Peptides.
Front Immunol, 10, 2019
1B9V
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NOVEL AROMATIC INHIBITORS OF INFLUENZA VIRUS NEURAMINIDASE MAKE SELECTIVE INTERACTIONS WITH CONSERVED RESIDUES AND WATER MOLECULES IN TEH ACTIVE SITE
分子名称: 1-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-2-ONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Finley, J.B, Atigadda, V.R, Duarte, F, Zahao, J.J, Brouillette, W.J, Air, G.M, Luo, M.
登録日1999-02-15
公開日1999-02-27
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Novel aromatic inhibitors of influenza virus neuraminidase make selective interactions with conserved residues and water molecules in the active site.
J.Mol.Biol., 293, 1999
7TE0
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Structure of the SARS-CoV-2 main protease in complex with inhibitor PF-07321332
分子名称: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
著者Yang, K.S, Liu, W.R.
登録日2022-01-03
公開日2022-01-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Evolutionary and Structural Insights about Potential SARS-CoV-2 Evasion of Nirmatrelvir.
J.Med.Chem., 65, 2022
8S0U
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Structure of the LytM domain of PrgK from E. faecalis
分子名称: PrgK
著者Sun, W.-S, Berntsson, R.P.-A.
登録日2024-02-14
公開日2024-02-28
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Breaking barriers: pCF10 type 4 secretion system relies on a self-regulating muramidase to modulate the cell wall.
Mbio, 2024
1BDX
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BU of 1bdx by Molmil
E. COLI DNA HELICASE RUVA WITH BOUND DNA HOLLIDAY JUNCTION, ALPHA CARBONS AND PHOSPHATE ATOMS ONLY
分子名称: DNA (5'-D(P*GP*CP*AP*TP*GP*CP*AP*TP*AP*TP*GP*CP*AP*TP*GP*C)-3'), HOLLIDAY JUNCTION DNA HELICASE RUVA
著者Hargreaves, D, Rice, D.W, Sedelnikova, S.E, Artymiuk, P.J, Lloyd, R.G, Rafferty, J.B.
登録日1998-05-11
公開日1999-11-24
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (6 Å)
主引用文献Crystal structure of E.coli RuvA with bound DNA Holliday junction at 6 A resolution.
Nat.Struct.Biol., 5, 1998
3INQ
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Crystal structure of BCL-XL in complex with W1191542
分子名称: 1,2-ETHANEDIOL, 4-[4-(biphenyl-3-ylmethyl)piperazin-1-yl]-N-{[4-({(1R)-3-(dimethylamino)-1-[(phenylsulfanyl)methyl]propyl}amino)-3-nitrophenyl]sulfonyl}benzamide, Bcl-2-like protein 1, ...
著者Fairlie, W.D, Smith, B.J, Colman, P.M, Czabotar, P.E, Lee, E.F.
登録日2009-08-12
公開日2009-09-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Conformational changes in Bcl-2 pro-survival proteins determine their capacity to bind ligands
J. Biol. Chem., 284, 2009

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