6MVA
 
 | | LDHA structure in complex with inhibitor 14 | | 分子名称: | (6R)-6-(3-aminophenyl)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(thiophen-3-yl)-5,6-dihydro-2H-pyran-2-one, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Eigenbrot, C.E, Ultsch, M, Wei, B. | | 登録日 | 2018-10-24 | | 公開日 | 2019-10-30 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Structure-based Optimization of Potent, Cell-Active
Hydroxylactam Inhibitors of Lactate Dehydrogenase
To Be Published
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3LO0
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8QEB
 | | S. cerevisia Niemann-Pick type C protein NCR1 in GDN at pH 7.5 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ERGOSTEROL, ... | | 著者 | Frain, K.M, Dedic, E, Nel, L, Olesen, E, Stokes, D, Panyella Pedersen, B. | | 登録日 | 2023-08-31 | | 公開日 | 2023-10-18 | | 最終更新日 | 2024-04-17 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Conformational changes in the Niemann-Pick type C1 protein NCR1 drive sterol translocation.
Proc.Natl.Acad.Sci.USA, 121, 2024
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6MVK
 | | HCV NS5B 1b N316 bound to Compound 18 | | 分子名称: | (4-{(4S)-3-[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]-2-oxo-1,3-oxazolidin-4-yl}-2-fluorophenyl)boronic acid, HCV Polymerase | | 著者 | Williams, S.P, Kahler, K, Price, D.J, Peat, A.J. | | 登録日 | 2018-10-26 | | 公開日 | 2019-09-04 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Design of N-Benzoxaborole Benzofuran GSK8175-Optimization of Human Pharmacokinetics Inspired by Metabolites of a Failed Clinical HCV Inhibitor.
J.Med.Chem., 62, 2019
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6MVU
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3LNC
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8QED
 | | S. cerevisia Niemann-Pick type C protein NCR1 in LMNG at pH 5.5 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ERGOSTEROL, NPC intracellular sterol transporter 1-related protein 1, ... | | 著者 | Frain, K.M, Nel, L, Dedic, E, Olesen, E, Stokes, D, Panyella Pedersen, B. | | 登録日 | 2023-08-31 | | 公開日 | 2023-10-18 | | 最終更新日 | 2024-04-17 | | 実験手法 | ELECTRON MICROSCOPY (3.27 Å) | | 主引用文献 | Conformational changes in the Niemann-Pick type C1 protein NCR1 drive sterol translocation.
Proc.Natl.Acad.Sci.USA, 121, 2024
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3LNM
 | | F233W mutant of the Kv2.1 paddle-Kv1.2 chimera channel | | 分子名称: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, F233W mutant of the Kv2.1 paddle-Kv1.2 chimera, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Tao, X, Lee, A, Limapichat, W, Dougherty, D.A, MacKinnon, R. | | 登録日 | 2010-02-02 | | 公開日 | 2010-04-14 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | A gating charge transfer center in voltage sensors.
Science, 328, 2010
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8QEC
 | | S. cerevisia Niemann-Pick type C protein NCR1 in GDN at pH 5.5 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, CHOLESTEROL HEMISUCCINATE, ... | | 著者 | Frain, K.M, Dedic, E, Nel, L, Olesen, E, Stokes, D, Panyella Pedersen, B. | | 登録日 | 2023-08-31 | | 公開日 | 2023-10-18 | | 最終更新日 | 2024-04-17 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Conformational changes in the Niemann-Pick type C1 protein NCR1 drive sterol translocation.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8QEE
 | | S. cerevisia Niemann-Pick type C protein NCR1 in Peptidisc at pH 7.5 | | 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, CHOLESTEROL HEMISUCCINATE, ... | | 著者 | Frain, K.M, Dedic, E, Nel, L, Olesen, E, Stokes, D, Panyella Pedersen, B. | | 登録日 | 2023-08-31 | | 公開日 | 2023-10-18 | | 最終更新日 | 2024-04-17 | | 実験手法 | ELECTRON MICROSCOPY (2.43 Å) | | 主引用文献 | Conformational changes in the Niemann-Pick type C1 protein NCR1 drive sterol translocation.
Proc.Natl.Acad.Sci.USA, 121, 2024
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3LS8
 | | Crystal structure of human PIK3C3 in complex with 3-[4-(4-Morpholinyl)thieno[3,2-d]pyrimidin-2-yl]-phenol | | 分子名称: | 3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol, CHLORIDE ION, GLYCEROL, ... | | 著者 | Tresaugues, L, Welin, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kotenyova, T, Kraulis, P, Moche, M, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Thorsell, A.G, Van den Berg, S, Wahlberg, E, Weigelt, J, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC) | | 登録日 | 2010-02-12 | | 公開日 | 2010-03-23 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Crystal structure of human PIK3C3 in complex with 3-[4-(4-Morpholinyl)thieno[3,2-d]pyrimidin-2-yl]-phenol
To be Published
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6N3N
 | | Identification of novel, potent and selective GCN2 inhibitors as first-in-class anti-tumor agents | | 分子名称: | N-{3-[(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl}-2,5-dichloro-3-(hydroxymethyl)benzene-1-sulfonamide, eIF-2-alpha kinase GCN2,eIF-2-alpha kinase GCN2 | | 著者 | Hoffman, I.D, Fujimoto, J, Kurasawa, O, Takagi, T, Klein, M.G, Kefala, G, Ding, S.C, Cary, D.R, Mizojiri, R. | | 登録日 | 2018-11-15 | | 公開日 | 2019-10-09 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (3.01 Å) | | 主引用文献 | Identification of Novel, Potent, and Orally Available GCN2 Inhibitors with Type I Half Binding Mode.
Acs Med.Chem.Lett., 10, 2019
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3LWW
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3LTD
 | | X-ray structure of a non-biological ATP binding protein determined at 2.8 A by multi-wavelength anomalous dispersion | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ATP BINDING PROTEIN-DX, CHLORIDE ION, ... | | 著者 | Simmons, C.R, Magee, C.L, Allen, J.P, Chaput, J.C. | | 登録日 | 2010-02-15 | | 公開日 | 2010-09-22 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Three-dimensional structures reveal multiple ADP/ATP binding modes for a synthetic class of artificial proteins.
Biochemistry, 49, 2010
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3LXK
 | | Structural and Thermodynamic Characterization of the TYK2 and JAK3 Kinase Domains in Complex with CP-690550 and CMP-6 | | 分子名称: | 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile, Tyrosine-protein kinase JAK3 | | 著者 | Chrencik, J.E, Patny, A, Leung, I.K, Korniski, B, Emmons, T.L, Benson, T.E. | | 登録日 | 2010-02-25 | | 公開日 | 2010-06-02 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural and thermodynamic characterization of the TYK2 and JAK3 kinase domains in complex with CP-690550 and CMP-6.
J.Mol.Biol., 400, 2010
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5LGK
 | | Crystal structure of the human IgE-Fc bound to its B cell receptor derCD23 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Ig epsilon chain C region, Low affinity immunoglobulin epsilon Fc receptor, ... | | 著者 | Dhaliwal, B, Pang, M.O.Y, Sutton, B.J. | | 登録日 | 2016-07-07 | | 公開日 | 2017-04-05 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | IgE binds asymmetrically to its B cell receptor CD23.
Sci Rep, 7, 2017
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6N71
 | | Crystal Structure of ATPase delta1-79 Spa47 R191E | | 分子名称: | Probable ATP synthase SpaL/MxiB | | 著者 | Morales, Y, Olsen, K.J, Johnson, S.J, Demler, H.J, Dickenson, N.E. | | 登録日 | 2018-11-27 | | 公開日 | 2019-06-19 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Interfacial amino acids support Spa47 oligomerization and shigella type three secretion system activation.
Proteins, 87, 2019
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3LP8
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6N8Q
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5LKK
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6N94
 | | Methylmalonyl-CoA decarboxylase in complex with 2-nitronate-propionyl-amino(dethia)-CoA | | 分子名称: | DI(HYDROXYETHYL)ETHER, IMIDAZOLE, Methylmalonyl-CoA decarboxylase, ... | | 著者 | Stunkard, L.M, Dixon, A.D, Huth, T.J, Lohman, J.R. | | 登録日 | 2018-11-30 | | 公開日 | 2019-04-10 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Sulfonate/Nitro Bearing Methylmalonyl-Thioester Isosteres Applied to Methylmalonyl-CoA Decarboxylase Structure-Function Studies.
J. Am. Chem. Soc., 141, 2019
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3LXH
 | | Crystal Structure of Cytochrome P450 CYP101D1 | | 分子名称: | 1,4-DIETHYLENE DIOXIDE, Cytochrome P450, PHOSPHATE ION, ... | | 著者 | Yang, W, Bell, S.G, Wang, H, Bartlam, M, Wong, L.L, Rao, Z. | | 登録日 | 2010-02-25 | | 公開日 | 2010-06-23 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Molecular characterization of a class I P450 electron transfer system from Novosphingobium aromaticivorans DSM12444
J.Biol.Chem., 285, 2010
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6N9K
 | | Beta-lactamase from Escherichia coli str. Sakai | | 分子名称: | 1,2-ETHANEDIOL, Beta-lactamase, GLYCEROL, ... | | 著者 | Osipiuk, J, Wu, R, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2018-12-03 | | 公開日 | 2018-12-12 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Beta-lactamase from Escherichia coli str. Sakai
to be published
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5LWW
 | | Crystal structure of a laccase-like multicopper oxidase McoG from Aspergillus niger bound to zinc | | 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, ACETATE ION, ... | | 著者 | Ferraroni, M, Briganti, F, Tamayo-Ramos, J.A, van Berkel, W.J.H, Westphal, A.H. | | 登録日 | 2016-09-19 | | 公開日 | 2017-05-03 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Structure and function of Aspergillus niger laccase McoG
Biocatalysis, 2017
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3LTC
 | | X-ray structure of a non-biological ATP binding protein determined in the presence of 10 mM ATP at 2.0 A by multi-wavelength anomalous dispersion | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, ATP BINDING PROTEIN-DX, CHLORIDE ION, ... | | 著者 | Simmons, C.R, Magee, C.L, Allen, J.P, Chaput, J.C. | | 登録日 | 2010-02-15 | | 公開日 | 2010-09-22 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Three-dimensional structures reveal multiple ADP/ATP binding modes for a synthetic class of artificial proteins.
Biochemistry, 49, 2010
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