5O6Z
 
 | | 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal quinoline based inhibitor | | 分子名称: | (4-fluoranyl-3-oxidanyl-phenyl)-quinolin-2-yl-methanone, 17-beta-hydroxysteroid dehydrogenase 14, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | 著者 | Bertoletti, N, Braun, F, Heine, A, Klebe, G, Marchais-Oberwinkler, S. | | 登録日 | 2017-06-07 | | 公開日 | 2018-06-06 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | | 主引用文献 | Structure-based design and profiling of novel 17 beta-HSD14 inhibitors.
Eur J Med Chem, 155, 2018
|
|
5O6X
 | | 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal quinoline based inhibitor | | 分子名称: | (4-fluoranyl-3-oxidanyl-phenyl)-(6-methylquinolin-2-yl)methanone, 17-beta-hydroxysteroid dehydrogenase 14, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | 著者 | Bertoletti, N, Braun, F, Heine, A, Klebe, G, Marchais-Oberwinkler, S. | | 登録日 | 2017-06-07 | | 公開日 | 2018-06-06 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Structure-based design and profiling of novel 17 beta-HSD14 inhibitors.
Eur J Med Chem, 155, 2018
|
|
7L5T
 | | Crystal Structure of the Oxacillin-hydrolyzing Class D Extended-spectrum Beta-lactamase OXA-14 from Pseudomonas aeruginosa in Complex with Covalently Bound Clavulanic Acid | | 分子名称: | (2E)-3-[(4-hydroxy-2-oxobutyl)amino]prop-2-enal, Beta-lactamase, CHLORIDE ION, ... | | 著者 | Minasov, G, Shuvalova, L, Rosas-Lemus, M, Brunzelle, J.S, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Membrane Proteins of Infectious Diseases (MPID) | | 登録日 | 2020-12-22 | | 公開日 | 2021-12-29 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Crystal Structure of the Oxacillin-hydrolyzing Class D Extended-spectrum Beta-lactamase OXA-14 from Pseudomonas aeruginosa in Complex with Covalently Bound Clavulanic Acid
To Be Published
|
|
1XR5
 | | Crystal Structure of the RNA-dependent RNA Polymerase 3D from human rhinovirus serotype 14 | | 分子名称: | Genome polyprotein, SAMARIUM (III) ION | | 著者 | Love, R.A, Maegley, K.A, Yu, X, Ferre, R.A, Lingardo, L.K, Diehl, W, Parge, H.E, Dragovich, P.S, Fuhrman, S.A. | | 登録日 | 2004-10-13 | | 公開日 | 2004-10-26 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | The Crystal Structure of the RNA-Dependent RNA Polymerase from Human Rhinovirus: A Dual-Function Target for Common Cold Antiviral Therapy
Structure, 12, 2004
|
|
1YLT
 | | Atomic resolution structure of CTX-M-14 beta-lactamase | | 分子名称: | SULFATE ION, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose, beta-lactamase CTX-M-14 | | 著者 | Chen, Y, Delmas, J, Sirot, J, Shoichet, B, Bonnet, R. | | 登録日 | 2005-01-19 | | 公開日 | 2005-04-19 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Atomic Resolution Structures of CTX-M beta-Lactamases: Extended Spectrum Activities from Increased Mobility and Decreased Stability.
J.Mol.Biol., 348, 2005
|
|
4QUV
 | |
4RUT
 | | crystal structure of murine cyclooxygenase-2 with 13-methyl-arachidonic Acid | | 分子名称: | (5Z,8Z,11Z,13S,14Z)-13-methylicosa-5,8,11,14-tetraenoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Xu, S, Kudalkar, S.N, Banerjee, S, Makriyannis, A, Nikas, S.P, Marnett, L.J. | | 登録日 | 2014-11-21 | | 公開日 | 2015-02-11 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | | 主引用文献 | 13-methylarachidonic Acid is a positive allosteric modulator of endocannabinoid oxygenation by cyclooxygenase.
J.Biol.Chem., 290, 2015
|
|
3UX0
 | | Crystal structure of human 14-3-3 sigma in complex with TASK-3 peptide and stabilizer Fusicoccin H | | 分子名称: | (4R,5R,6R,6aS,9S,9aE,10aR)-5-hydroxy-9-(hydroxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-4-yl alpha-D-gulopyranoside, 14-3-3 protein sigma, CHLORIDE ION, ... | | 著者 | Thiel, P, Bartel, M, Anders, C, Higuchi, Y, Schumacher, B, Kato, N, Ottmann, C. | | 登録日 | 2011-12-03 | | 公開日 | 2013-01-02 | | 最終更新日 | 2013-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of k(+) channels at the cell surface.
Chem.Biol., 20, 2013
|
|
4U24
 | | Crystal structure of the E. coli ribosome bound to dalfopristin. | | 分子名称: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | 著者 | Noeske, J, Huang, J, Olivier, N.B, Giacobbe, R.A, Zambrowski, M, Cate, J.H.D. | | 登録日 | 2014-07-16 | | 公開日 | 2014-07-30 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Synergy of streptogramin antibiotics occurs independently of their effects on translation.
Antimicrob.Agents Chemother., 58, 2014
|
|
3V3R
 | | Crystal Structure of GES-11 | | 分子名称: | Extended spectrum class A beta-lactamase GES-11, IODIDE ION, SODIUM ION | | 著者 | Delbruck, H, Hoffmann, K.M.V, Bebrone, C. | | 登録日 | 2011-12-14 | | 公開日 | 2012-09-26 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.898 Å) | | 主引用文献 | Kinetic and crystallographic studies of extended-spectrum GES-11, GES-12, and GES-14 beta-lactamases.
Antimicrob.Agents Chemother., 56, 2012
|
|
3G1Q
 | | Crystal structure of sterol 14-alpha demethylase (CYP51) from Trypanosoma brucei in ligand free state | | 分子名称: | PROTOPORPHYRIN IX CONTAINING FE, Sterol 14-alpha-demethylase | | 著者 | Lepesheva, G.I, Hargrove, T.Y, Harp, J, Wawrzak, Z, Waterman, M.R, Park, H. | | 登録日 | 2009-01-30 | | 公開日 | 2009-10-06 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Crystal structures of Trypanosoma brucei sterol 14alpha-demethylase and implications for selective treatment of human infections.
J.Biol.Chem., 285, 2010
|
|
4U26
 | | Crystal structure of the E. coli ribosome bound to dalfopristin and quinupristin. | | 分子名称: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | 著者 | Noeske, J, Huang, J, Olivier, N.B, Giacobbe, R.A, Zambrowski, M, Cate, J.H.D. | | 登録日 | 2014-07-16 | | 公開日 | 2014-07-30 | | 最終更新日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Synergy of streptogramin antibiotics occurs independently of their effects on translation.
Antimicrob.Agents Chemother., 58, 2014
|
|
3TNU
 | | Heterocomplex of coil 2B domains of human intermediate filament proteins, keratin 5 (KRT5) and keratin 14 (KRT14) | | 分子名称: | Keratin, type I cytoskeletal 14, type II cytoskeletal 5 | | 著者 | Lee, C.H, Kim, M.S, Leahy, D.J, Coulombe, P.A. | | 登録日 | 2011-09-02 | | 公開日 | 2012-06-20 | | 最終更新日 | 2012-08-01 | | 実験手法 | X-RAY DIFFRACTION (3.005 Å) | | 主引用文献 | Structural basis for heteromeric assembly and perinuclear organization of keratin filaments.
Nat.Struct.Mol.Biol., 19, 2012
|
|
1KNG
 | | Crystal structure of CcmG reducing oxidoreductase at 1.14 A | | 分子名称: | THIOL:DISULFIDE INTERCHANGE PROTEIN CYCY | | 著者 | Edeling, M.A, Guddat, L.W, Fabianek, R.A, Thony-Meyer, L, Martin, J.L. | | 登録日 | 2001-12-18 | | 公開日 | 2002-07-17 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | | 主引用文献 | Structure of CcmG/DsbE at 1.14 A resolution: high-fidelity reducing activity in an indiscriminately oxidizing environment
Structure, 10, 2002
|
|
5TKS
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR ((15S)-18-CHLORO- 15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2- PROPENOYL)AMINO)-17,19-DIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE | | 分子名称: | ((15S)-18-CHLORO- 15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2- PROPENOYL)AMINO)-17,19-DIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE, 1,2-ETHANEDIOL, Coagulation factor XI, ... | | 著者 | Sheriff, S. | | 登録日 | 2016-10-07 | | 公開日 | 2017-03-01 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Structure-Based Design of Macrocyclic Factor XIa Inhibitors: Discovery of the Macrocyclic Amide Linker.
J. Med. Chem., 60, 2017
|
|
3HM1
 | | Crystal structure of human Estrogen Receptor Alpha Ligand-Binding Domain in complex with a Glucocorticoid Receptor Interacting Protein 1 Nr Box II Peptide and estrone ((8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one) | | 分子名称: | (9beta,13alpha)-3-hydroxyestra-1,3,5(10)-trien-17-one, Estrogen receptor, Nuclear receptor coactivator 2 | | 著者 | Rajan, S.S, Kim, Y, Vanek, K, Liwanag, M, Joachimiak, A, Greene, G.L. | | 登録日 | 2009-05-28 | | 公開日 | 2010-06-02 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | Crystal structure of human Estrogen Receptor Alpha Ligand-Binding Domain in complex with a Glucocorticoid Receptor Interacting Protein 1 Nr Box II Peptide and estrone ((8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15, 16-octahydro-6H-cyclopenta[a]phenanthren-17-one)
To be Published
|
|
6II4
 | | Crystal structure of H7 hemagglutinin from A/Anhui/1/2013 in complex with a human neutralizing antibody L4A-14 | | 分子名称: | Heavy chain of L4A-14 Fab, Hemagglutinin, Light chain of L4A-14 Fab | | 著者 | Jiang, H.H, Shi, Y, Qi, J, Gao, G.F. | | 登録日 | 2018-10-03 | | 公開日 | 2018-10-24 | | 最終更新日 | 2019-02-06 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Structure-function analysis of neutralizing antibodies to H7N9 influenza from naturally infected humans.
Nat Microbiol, 4, 2019
|
|
3P99
 | | Sterol 14alpha-demethylase (CYP51) from Trypanosoma brucei in complex with delta7-14alpha-methylene-cyclopropyl-dihydrolanosterol | | 分子名称: | (3alpha,9beta,10alpha,13alpha)-30-cyclopropylidenelanost-7-en-3-ol, PROTOPORPHYRIN IX CONTAINING FE, Sterol 14-alpha-demethylase | | 著者 | Lepesheva, G.I, Hargrove, T.Y, Waterman, M.R, Wawrzak, Z. | | 登録日 | 2010-10-16 | | 公開日 | 2011-11-30 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structural complex of sterol 14alpha-demethylase (CYP51) with 14alpha-methylenecyclopropyl-delta7-24, 25-dihydrolanosterol
J.Lipid Res., 53, 2012
|
|
3DV5
 | | Crystal structure of human beta-secretase in complex with NVP-BAV544 | | 分子名称: | (3S,14R,16S)-16-[(1R)-1-hydroxy-2-{[3-(1-methylethyl)benzyl]amino}ethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5- dione, Beta-secretase 1 | | 著者 | Rondeau, J.-M. | | 登録日 | 2008-07-18 | | 公開日 | 2009-02-24 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Macrocyclic peptidomimetic beta-secretase (BACE-1) inhibitors with activity in vivo.
Bioorg.Med.Chem.Lett., 19, 2009
|
|
4H6O
 | | Sterol 14-alpha demethylase (CYP51)from Trypanosoma cruzi in complex with the inhibitor NEU321 (1-(3-(4-chloro-3,5-dimethylphenoxy)benzyl)-1H-imidazole | | 分子名称: | 1-[3-(4-chloro-3,5-dimethylphenoxy)benzyl]-1H-imidazole, PROTOPORPHYRIN IX CONTAINING FE, Sterol 14-alpha demethylase | | 著者 | Wawrzak, Z, Hargrove, T.Y, Pollastri, M.P, Lepesheva, G.I. | | 登録日 | 2012-09-19 | | 公開日 | 2013-03-20 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Antitrypanosomal Lead Discovery: Identification of a Ligand-Efficient Inhibitor of Trypanosoma cruzi CYP51 and Parasite Growth.
J.Med.Chem., 56, 2013
|
|
8A62
 | | Small molecule stabilizer (compound 2) for FOXO1 and 14-3-3 | | 分子名称: | (3~{S})-1-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]carbonyl-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-3-carboxamide, 14-3-3 protein sigma, Forkhead box protein O1, ... | | 著者 | Kenanova, D.N, Visser, E.J, Virta, J, Sijbesma, E, Centorrino, F, Zhong, M, Vickery, H, Neitz, J, Brunsveld, L, Ottmann, C, Arkin, M.R. | | 登録日 | 2022-06-16 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers.
Acs Cent.Sci., 9, 2023
|
|
8A65
 | | Small molecule stabilizer (compound 3) for FOXO1 and 14-3-3 | | 分子名称: | (3~{S})-1-[2-azanyl-3,5-bis(chloranyl)phenyl]carbonyl-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-3-carboxamide, 14-3-3 protein sigma, Forkhead box protein O1, ... | | 著者 | Kenanova, D.N, Visser, E.J, Virta, J, Sijbesma, E, Centorrino, F, Zhong, M, Vickery, H, Neitz, J, Brunsveld, L, Ottmann, C, Arkin, M.R. | | 登録日 | 2022-06-16 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers.
Acs Cent.Sci., 9, 2023
|
|
8A6F
 | | Small molecule stabilizer (compound 8) for C-RAF and 14-3-3 | | 分子名称: | 1-[4-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-oxidanyl-piperidin-1-yl]-3-[2-(dimethylamino)ethyldisulfanyl]propan-1-one, 14-3-3 protein sigma, CHLORIDE ION, ... | | 著者 | Kenanova, D.N, Visser, E.J, Virta, J, Sijbesma, E, Centorrino, F, Zhong, M, Vickery, H, Neitz, J, Brunsveld, L, Ottmann, C, Arkin, M.R. | | 登録日 | 2022-06-17 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers.
Acs Cent.Sci., 9, 2023
|
|
5MV2
 | | Crystal structure of the E protein of the Japanese encephalitis live attenuated vaccine virus | | 分子名称: | E protein | | 著者 | Liu, X, Zhao, X, Na, R, Li, L, Warkentin, E, Witt, J, Lu, X, Wei, Y, Peng, G, Li, Y, Wang, J. | | 登録日 | 2017-01-14 | | 公開日 | 2018-05-23 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | The structure differences of Japanese encephalitis virus SA14 and SA14-14-2 E proteins elucidate the virulence attenuation mechanism.
Protein Cell, 10, 2019
|
|
6ZVC
 | |
