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PDB: 42439 件

5H1U
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Complex structure of TRIM24 PHD-bromodomain and inhibitor 2
分子名称: 2-amino-1,3-benzothiazole-6-carboxamide, DIMETHYL SULFOXIDE, Transcription intermediary factor 1-alpha, ...
著者Liu, J.
登録日2016-10-11
公開日2017-02-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献The polar warhead of a TRIM24 bromodomain inhibitor rearranges a water-mediated interaction network
FEBS J., 284, 2017
2CL2
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Endo-1,3(4)-beta-glucanase from Phanerochaete chrysosporium, solved using native sulfur SAD, exhibiting intact heptasaccharide glycosylation
分子名称: PUTATIVE LAMINARINASE, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Vasur, J, Kawai, R, Igarashi, K, Sandgren, M, Samejima, M, Stahlberg, J.
登録日2006-04-25
公開日2006-10-25
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献X-ray crystallographic native sulfur SAD structure determination of laminarinase Lam16A from Phanerochaete chrysosporium.
Acta Crystallogr. D Biol. Crystallogr., 62, 2006
6GA6
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Bacteriorhodopsin, 10 ps state, real-space refined against 10% extrapolated map
分子名称: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
著者Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I.
登録日2018-04-11
公開日2019-04-24
最終更新日2019-07-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.
Nat Commun, 10, 2019
6GAG
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BACTERIORHODOPSIN, 630 FS STATE, REAL-SPACE REFINED AGAINST 15% EXTRAPOLATED STRUCTURE FACTORS
分子名称: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
著者Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I.
登録日2018-04-11
公開日2019-04-24
最終更新日2019-07-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.
Nat Commun, 10, 2019
4DF6
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BU of 4df6 by Molmil
Crystal Structure of the inhibitor NXL104 Covalent Adduct with TB B-lactamase
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, PHOSPHATE ION
著者Hazra, S, Blanchard, J.
登録日2012-01-23
公開日2012-07-18
最終更新日2015-06-03
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献NXL104 irreversibly inhibits the {beta}-lactamase from Mycobacterium tuberculosis.
Biochemistry, 51, 2012
7ZOZ
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BU of 7zoz by Molmil
Crystal structure of Siglec-15 in complex with Fab
分子名称: Anti-Siglec 15 Fab HC, Anti-Siglec 15 Fab LC, Sialic acid-binding Ig-like lectin 15
著者Lenza, M.P, Oyenarte, I, Jimenez-Barbero, J, Ereno-Orbea, J.
登録日2022-04-26
公開日2023-06-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.104 Å)
主引用文献Structural insights into Siglec-15 reveal glycosylation dependency for its interaction with T cells through integrin CD11b.
Nat Commun, 14, 2023
7ZOR
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Crystal structure of anti-Siglec-15 Fab
分子名称: Anti-siglec15 FAB HC, Anti-siglec15 FAB LC
著者Lenza, M.P, Oyenarte, I, Jimenez-Barbero, J, Ereno-Orbea, J.
登録日2022-04-26
公開日2023-06-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.933 Å)
主引用文献Structural insights into Siglec-15 reveal glycosylation dependency for its interaction with T cells through integrin CD11b.
Nat Commun, 14, 2023
1SL9
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Obelin from Obelia longissima
分子名称: C2-HYDROPEROXY-COELENTERAZINE, Obelin
著者Deng, L, Markova, S, Vysotski, E, Liu, Z.-J, Lee, J, Rose, J, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2004-03-05
公開日2005-07-19
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Obelin from Obelia longissima
To be Published
7T0P
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BU of 7t0p by Molmil
JAK2 JH2 IN COMPLEX WITH JAK315
分子名称: 4'-{[5-amino-3-(4-sulfamoylanilino)-1H-1,2,4-triazole-1-carbonyl]amino}-4-(benzyloxy)[1,1'-biphenyl]-3-carboxylic acid, GLYCEROL, Tyrosine-protein kinase JAK2
著者Ippolito, J.A, Liosi, M.-E, Krimmer, S.G, Schlessinger, J, Jorgensen, W.L.
登録日2021-11-30
公開日2022-06-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Insights on JAK2 Modulation by Potent, Selective, and Cell-Permeable Pseudokinase-Domain Ligands.
J.Med.Chem., 65, 2022
2QAK
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BU of 2qak by Molmil
HIV-1 PR mutant in complex with nelfinavir
分子名称: 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE, PROTEASE RETROPEPSIN
著者Rezacova, P, Kozisek, M, Saskova, K, Brynda, J, Konvalinka, J.
登録日2007-06-16
公開日2008-07-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Evolutionary pathway of HIV resistance analyzed on molecular level: Enzymatic activities, 3-D structures and thermodynamics of HIV proteases resistant to nelfinavir
To be Published
4DIO
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BU of 4dio by Molmil
The crystal structure of transhydrogenase from Sinorhizobium meliloti
分子名称: NAD(P) transhydrogenase subunit alpha part 1
著者Zhang, Z, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC)
登録日2012-01-31
公開日2012-03-21
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The crystal structure of transhydrogenase from Sinorhizobium meliloti
To be Published
2A21
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BU of 2a21 by Molmil
Aquifex aeolicus KDO8PS in complex with PEP, PO4, and Zn2+
分子名称: 2-dehydro-3-deoxyphosphooctonate aldolase, PHOSPHATE ION, PHOSPHOENOLPYRUVATE, ...
著者Kona, F, Xu, X, Lu, J, Martin, P, Gatti, D.L.
登録日2005-06-21
公開日2006-06-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Electronic structure of the metal center in the Cd(2+), Zn(2+), and Cu(2+) substituted forms of KDO8P synthase: implications for catalysis.
Biochemistry, 48, 2009
6G9U
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BU of 6g9u by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide
分子名称: 4-[2-[3-(cyclooctylamino)-2,5,6-tris(fluoranyl)-4-sulfamoyl-phenyl]sulfanylethyl]benzoic acid, Carbonic anhydrase 9, ZINC ION
著者Leitans, J, Tars, K.
登録日2018-04-11
公開日2018-07-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Novel fluorinated carbonic anhydrase IX inhibitors reduce hypoxia-induced acidification and clonogenic survival of cancer cells.
Oncotarget, 9, 2018
6GA1
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BU of 6ga1 by Molmil
Bacteriorhodopsin, dark state, cell 1
分子名称: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
著者Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Barends, T.R.M, Schlichting, I.
登録日2018-04-11
公開日2019-04-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.
Nat Commun, 10, 2019
6GAB
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BU of 6gab by Molmil
BACTERIORHODOPSIN, 460 FS STATE, REAL-SPACE REFINED AGAINST 15% EXTRAPOLATED STRUCTURE FACTORS
分子名称: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
著者Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I.
登録日2018-04-11
公開日2019-04-24
最終更新日2019-07-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.
Nat Commun, 10, 2019
4DU5
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BU of 4du5 by Molmil
Crystal structure of PfkB protein from Polaromonas sp. JS666
分子名称: CHLORIDE ION, PfkB
著者Agarwal, R, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hellerich, B, Kar, A, Lafleur, J, Siedel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC)
登録日2012-02-21
公開日2012-03-21
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of PfkB protein from Polaromonas sp. JS666
To be Published
4DHD
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BU of 4dhd by Molmil
Crystal structure of isoprenoid synthase A3MSH1 (TARGET EFI-501992) from Pyrobaculum calidifontis
分子名称: ACETATE ION, CHLORIDE ION, PHOSPHATE ION, ...
著者Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Poulter, C.D, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2012-01-27
公開日2012-02-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Prediction of function for the polyprenyl transferase subgroup in the isoprenoid synthase superfamily.
Proc.Natl.Acad.Sci.USA, 110, 2013
4XNR
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BU of 4xnr by Molmil
Vibrio Vulnificus Adenine Riboswitch Aptamer Domain, Synthesized by Position-selective Labeling of RNA (PLOR), in Complex with Adenine
分子名称: ADENINE, MAGNESIUM ION, Vibrio Vulnificus Adenine Riboswitch
著者Zhang, J, Liu, Y, Wang, Y.-X, Ferre-D'Amare, A.R.
登録日2015-01-16
公開日2015-05-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Synthesis and applications of RNAs with position-selective labelling and mosaic composition.
Nature, 522, 2015
1SL8
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BU of 1sl8 by Molmil
Calcium-loaded apo-aequorin from Aequorea victoria
分子名称: Aequorin 1, CALCIUM ION
著者Deng, L, Markova, S.V, Vysotski, E.S, Liu, Z.J, Lee, J, Rose, J, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2004-03-05
公開日2004-12-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献All three Ca2+-binding loops of photoproteins bind calcium ions: The crystal structures of calcium-loaded apo-aequorin and apo-obelin.
Protein Sci., 14, 2005
4DRY
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BU of 4dry by Molmil
The crystal structure of 3-oxoacyl-[acyl-carrier-protein] reductase from Rhizobium meliloti
分子名称: 3-oxoacyl-[acyl-carrier-protein] reductase, SULFATE ION
著者Zhang, Z, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, LaFleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC)
登録日2012-02-17
公開日2012-02-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The crystal structure of 3-oxoacyl-[acyl-carrier-protein] reductase from Rhizobium meliloti
To be Published
7TEO
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BU of 7teo by Molmil
Cryo-EM structure of the 20S Alpha 3 Deletion proteasome core particle in complex with FUB1
分子名称: Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-4, ...
著者Walsh Jr, R.M, Rawson, S, Schnell, H.M, Hanna, J.
登録日2022-01-05
公開日2022-08-10
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献Yeast PI31 inhibits the proteasome by a direct multisite mechanism.
Nat.Struct.Mol.Biol., 29, 2022
7TEJ
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BU of 7tej by Molmil
Cryo-EM structure of the 20S Alpha 3 Deletion proteasome core particle
分子名称: Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-4, ...
著者Walsh Jr, R.M, Rawson, S, Schnell, H.M, Hanna, J.
登録日2022-01-05
公開日2022-08-10
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (2.74 Å)
主引用文献Yeast PI31 inhibits the proteasome by a direct multisite mechanism.
Nat.Struct.Mol.Biol., 29, 2022
4B1D
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BU of 4b1d by Molmil
New Aminoimidazoles as BACE-1 Inhibitors: From Rational Design to Ab- lowering in Brain
分子名称: (2S)-2-(4-methoxy-3,5-dimethylphenyl)-5-methyl-2-(3-pyrimidin-5-ylphenyl)-2H-imidazol-4-amine, ACETATE ION, BETA-SECRETASE 1
著者Rahm, F, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, von Berg, S, von Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Gravenfors, Y.
登録日2012-07-10
公開日2012-10-10
最終更新日2018-02-14
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献New aminoimidazoles as beta-secretase (BACE-1) inhibitors showing amyloid-beta (A beta ) lowering in brain.
J. Med. Chem., 55, 2012
7PV7
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BU of 7pv7 by Molmil
Crystal structure of dimeric Porphyromonas gingivalis PorX, a type 9 secretion system response regulator.
分子名称: BERYLLIUM TRIFLUORIDE ION, FORMIC ACID, GLYCEROL, ...
著者Schmitz, C.A, Madej, M, Potempa, J, Sola, M.
登録日2021-10-01
公開日2022-12-14
最終更新日2022-12-28
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Response regulator PorX coordinates oligonucleotide signalling and gene expression to control the secretion of virulence factors.
Nucleic Acids Res., 50, 2022
7PVA
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1.9 Angstrom crystal structure of dimeric PorX, co-crystallized in the presence of zinc
分子名称: BERYLLIUM TRIFLUORIDE ION, CHLORIDE ION, FORMIC ACID, ...
著者Schmitz, C.A, Madej, M, Potempa, J, Sola, M.
登録日2021-10-01
公開日2022-12-14
最終更新日2022-12-28
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Response regulator PorX coordinates oligonucleotide signalling and gene expression to control the secretion of virulence factors.
Nucleic Acids Res., 50, 2022

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件を2024-08-07に公開中

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