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PDB: 42254 件
4RWF
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Crystal structure of the CLR:RAMP2 extracellular domain heterodimer with bound adrenomedullin
分子名称: 1,2-ETHANEDIOL, Adrenomedullin, Maltose transporter subunit, ...
著者Booe, J, Pioszak, A.
登録日2014-12-03
公開日2015-05-20
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structural Basis for Receptor Activity-Modifying Protein-Dependent Selective Peptide Recognition by a G Protein-Coupled Receptor.
Mol.Cell, 58, 2015
5JS3
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Thermolysin in complex with JC114.
分子名称: CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Krimmer, S.G, Cramer, J, Heine, A, Klebe, G.
登録日2016-05-07
公開日2016-12-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Rational Design of Thermodynamic and Kinetic Binding Profiles by Optimizing Surface Water Networks Coating Protein-Bound Ligands.
J. Med. Chem., 59, 2016
7K40
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Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Boceprevir at 1.35 A Resolution
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, boceprevir (bound form)
著者Kumaran, D, Andi, B, Kreitler, D.F, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S.
登録日2020-09-14
公開日2020-09-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
6GA8
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BACTERIORHODOPSIN, 330 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
4YJQ
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SYK kinase domain in complex with inhibitor GTC000224
分子名称: 3-[1H-indazol-4-yl(2-{[3-(4-methyl-1,3-oxazol-5-yl)phenyl]amino}pyrimidin-4-yl)amino]propan-1-ol, Tyrosine-protein kinase SYK
著者Somers, D.O, Neu, M, Stuckey, J.
登録日2015-03-03
公開日2015-09-30
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor.
Bioorg. Med. Chem. Lett., 21, 2011
4YJR
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BU of 4yjr by Molmil
SYK kinase domain in complex with inhibitor GTC000225
分子名称: 3-(1H-indazol-4-yl{2-[(1-methyl-1H-indazol-5-yl)amino]pyrimidin-4-yl}amino)propan-1-ol, Tyrosine-protein kinase SYK
著者Somers, D.O, Neu, M, Stuckey, J.
登録日2015-03-03
公開日2015-09-30
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor.
Bioorg. Med. Chem. Lett., 21, 2011
6GAH
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BACTERIORHODOPSIN, 680 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
5H5N
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BU of 5h5n by Molmil
The crystal structure of the NS1 (H17N10) RNA-binding domain
分子名称: Non-structural protein 1
著者Zhao, X, Qi, J, Xiao, H, Gao, G.F.
登録日2016-11-08
公開日2016-11-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The NS1 gene from bat-derived influenza-like virus H17N10 can be rescued in influenza A PR8 backbone
J.Gen.Virol., 97, 2016
5EGV
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BU of 5egv by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex the 3,4-diaryl-furan derivative 3-chloranyl-4-[4-(2-chloranyl-4-oxidanyl-phenyl)furan-3-yl]phenol
分子名称: 3-chloranyl-4-[4-(2-chloranyl-4-oxidanyl-phenyl)furan-3-yl]phenol, Estrogen receptor, NCOA2
著者Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-10-27
公開日2016-05-04
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.863 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
5H64
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Cryo-EM structure of mTORC1
分子名称: Regulatory-associated protein of mTOR, Serine/threonine-protein kinase mTOR, Target of rapamycin complex subunit LST8
著者Yang, H, Wang, J, Liu, M, Chen, X, Huang, M, Tan, D, Dong, M, Wong, C.C.L, Wang, J, Xu, Y, Wang, H.
登録日2016-11-10
公開日2017-01-25
最終更新日2019-11-06
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献4.4 angstrom Resolution Cryo-EM structure of human mTOR Complex 1
Protein Cell, 7, 2016
5EI1
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BU of 5ei1 by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the imidazopyridine derivative 2-(4-hydroxyphenyl)-3-iodanyl-imidazo[1,2-a]pyridin-6-ol
分子名称: 2-(4-hydroxyphenyl)-3-iodanyl-imidazo[1,2-a]pyridin-6-ol, Estrogen receptor, NCOA2
著者Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-10-29
公開日2016-05-04
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
5H63
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Structure of Transferase mutant-C23S,C199S
分子名称: MANGANESE (II) ION, Transferase, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
著者Park, J.B, Yoo, Y, Kim, J.
登録日2016-11-10
公開日2017-12-20
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Structural basis for arginine glycosylation of host substrates by bacterial effector proteins.
Nat Commun, 9, 2018
6GA7
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BU of 6ga7 by Molmil
BACTERIORHODOPSIN, 240FS 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
5H7S
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BU of 5h7s by Molmil
Structural basis of the flanking zinc-finger motifs crucial for the E3 ligase activity of the LNX1 RING domain
分子名称: E3 ubiquitin-protein ligase LNX, Ubiquitin-conjugating enzyme E2 N, Ubiquitin-like 1, ...
著者Nayak, D, Sivaraman, J.
登録日2016-11-21
公開日2017-11-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.49 Å)
主引用文献Structure of LNX1:Ubc13~Ubiquitin Complex Reveals the Role of Additional Motifs for the E3 Ligase Activity of LNX1.
J. Mol. Biol., 430, 2018
6GAI
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BU of 6gai by Molmil
BACTERIORHODOPSIN, 740 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
1BQM
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HIV-1 RT/HBY 097
分子名称: (S)-4-ISOPROPOXYCARBONYL-6-METHOXY-3-METHYLTHIOMETHYL-3,4-DIHYDROQUINOXALIN-2(1H)-THIONE, REVERSE TRANSCRIPTASE
著者Hsiou, Y, Das, K, Ding, J, Arnold, E.
登録日1998-08-17
公開日1999-01-06
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structures of Tyr188Leu mutant and wild-type HIV-1 reverse transcriptase complexed with the non-nucleoside inhibitor HBY 097: inhibitor flexibility is a useful design feature for reducing drug resistance.
J.Mol.Biol., 284, 1998
1BQN
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BU of 1bqn by Molmil
TYR 188 LEU HIV-1 RT/HBY 097
分子名称: (S)-4-ISOPROPOXYCARBONYL-6-METHOXY-3-METHYLTHIOMETHYL-3,4-DIHYDROQUINOXALIN-2(1H)-THIONE, REVERSE TRANSCRIPTASE
著者Hsiou, Y, Das, K, Ding, J, Arnold, E.
登録日1998-08-17
公開日1999-01-06
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structures of Tyr188Leu mutant and wild-type HIV-1 reverse transcriptase complexed with the non-nucleoside inhibitor HBY 097: inhibitor flexibility is a useful design feature for reducing drug resistance.
J.Mol.Biol., 284, 1998
7K6E
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SARS-CoV-2 Main Protease Co-Crystal Structure with Telaprevir Determined from Crystals Grown with 40 nL Acoustically Ejected Mpro Droplets at 1.63 A Resolution (Direct Vitrification)
分子名称: (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE
著者Kreitler, D.F, Andi, B, Kumaran, D, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S.
登録日2020-09-19
公開日2020-09-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
5M7X
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Translation initiation factor 4E in complex with (RP)-m2(7,2'O)GppSepG mRNA 5' cap analog (beta-Se-ARCA D1)
分子名称: Eukaryotic translation initiation factor 4E, GLYCEROL, [(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl [phosphonooxy(selanyl)phosphoryl] hydrogen phosphate
著者Warminski, M, Nowak, E, Kowalska, J, Jemielity, J, Nowotny, M.
登録日2016-10-28
公開日2017-11-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Translation initiation factor 4E in complex with (RP)-m2(7,2'O)GppSepG mRNA 5' cap analog (beta-Se-ARCA D1)
To Be Published
5GM8
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Methylation at position 32 of tRNA catalyzed by TrmJ alters oxidative stress response in Pseudomonas aeruiginosa
分子名称: SINEFUNGIN, tRNA (cytidine/uridine-2'-O-)-methyltransferase TrmJ
著者Jaroensuk, J, Atichartpongkul, S, Chionh, Y.H, Wong, Y.H, Liew, C.W, McBee, M.E, Thongdee, N, Prestwich, E.G, DeMott, M.S, Mongkolsuk, S, Dedon, P.C, Lescar, J, Fuangthong, M.
登録日2016-07-13
公開日2016-10-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Methylation at position 32 of tRNA catalyzed by TrmJ alters oxidative stress response in Pseudomonas aeruginosa.
Nucleic Acids Res., 44, 2016
5HE2
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BU of 5he2 by Molmil
Bovine GRK2 in complex with Gbetagamma subunits and CCG224406
分子名称: (4~{S})-4-[3-[(2,6-dimethoxyphenyl)methylcarbamoyl]-4-fluoranyl-phenyl]-~{N}-(1~{H}-indazol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1~{H}-pyrimidine-5-carboxamide, Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Cato, M.C, Waninger-Saroni, J, Tesmer, J.J.G.
登録日2016-01-05
公開日2016-05-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Structure-Based Design, Synthesis, and Biological Evaluation of Highly Selective and Potent G Protein-Coupled Receptor Kinase 2 Inhibitors.
J.Med.Chem., 59, 2016
5GMC
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BU of 5gmc by Molmil
Methylation at position 32 of tRNA catalyzed by TrmJ alters oxidative stress response in Pseudomonas aeruiginosa
分子名称: tRNA (cytidine/uridine-2'-O-)-methyltransferase TrmJ
著者Jaroensuk, J, Atichartpongkul, S, Chionh, Y.H, Wong, Y.H, Liew, C.W, McBee, M.E, Thongdee, N, Prestwich, E.G, DeMott, M.S, Mongkolsuk, S, Dedon, P.C, Lescar, J, Fuangthong, M.
登録日2016-07-13
公開日2016-10-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Methylation at position 32 of tRNA catalyzed by TrmJ alters oxidative stress response in Pseudomonas aeruginosa.
Nucleic Acids Res., 44, 2016
5M7W
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BU of 5m7w by Molmil
Translation initiation factor 4E in complex with (SP)-m2(7,2'O)GppSpG mRNA 5' cap analog (beta-S-ARCA D2)
分子名称: Eukaryotic translation initiation factor 4E, GLYCEROL, [(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl [phosphonooxy(sulfanyl)phosphoryl] hydrogen phosphate
著者Warminski, M, Nowak, E, Kowalska, J, Jemielity, J, Nowotny, M.
登録日2016-10-28
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Translation initiation factor 4E in complex with (SP)-m2(7,2'O)GppSpG mRNA 5' cap analog (beta-S-ARCA D2)
To Be Published
5HWJ
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BU of 5hwj by Molmil
Crystal structure of keto-deoxy-D-galactarate dehydratase
分子名称: FORMIC ACID, GLYCEROL, Probable 5-dehydro-4-deoxyglucarate dehydratase
著者Taberman, H, Parkkinen, T, Hakulinen, N, Rouvinen, J.
登録日2016-01-29
公開日2016-03-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.648 Å)
主引用文献Structure and function of a decarboxylating Agrobacterium tumefaciens keto-deoxy-d-galactarate dehydratase.
Biochemistry, 53, 2014
5HXI
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2-Methyl-3-hydroxypyridine-5-carboxylic acid oxygenase, 5HN bound
分子名称: 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase, 5-hydroxypyridine-3-carboxylic acid, BETA-MERCAPTOETHANOL, ...
著者Kobayashi, J, Mikami, B.
登録日2016-01-30
公開日2016-10-12
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Role of the Tyr270 residue in 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase from Mesorhizobium loti
J. Biosci. Bioeng., 123, 2017

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