4E5V
 
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4XXX
 | | Structure of PE-PPE domains of ESX-1 secreted protein EspB, C2221 | | 分子名称: | CHLORIDE ION, ESX-1 secretion-associated protein EspB, GLYCEROL | | 著者 | Piton, J, Pojer, F, Korotkov, K.V. | | 登録日 | 2015-01-30 | | 公開日 | 2015-02-18 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structure of EspB, a secreted substrate of the ESX-1 secretion system of Mycobacterium tuberculosis.
J.Struct.Biol., 191, 2015
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3TSR
 | | X-ray structure of mouse ribonuclease inhibitor complexed with mouse ribonuclease 1 | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Ribonuclease inhibitor, ... | | 著者 | Chang, A, Lomax, J.E, Bingman, C.A, Raines, R.T, Phillips Jr, G.N. | | 登録日 | 2011-09-13 | | 公開日 | 2012-09-19 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.1999 Å) | | 主引用文献 | Functional evolution of ribonuclease inhibitor: insights from birds and reptiles.
J.Mol.Biol., 426, 2014
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3TTP
 | | Structure of multiresistant HIV-1 protease in complex with darunavir | | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | | 著者 | Saskova, K.G, Brynda, J, Kozisek, M, Konvalinka, J, Rezacova, P. | | 登録日 | 2011-09-15 | | 公開日 | 2012-09-26 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | | 主引用文献 | Thermodynamic and structural analysis of HIV protease resistance to darunavir - analysis of heavily mutated patient-derived HIV-1 proteases.
Febs J., 281, 2014
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6SBT
 | | Structure of GluK1 ligand-binding domain (S1S2) in complex with N-(7-(1H-imidazol-1-yl)-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl benzamide at 2.3 A resolution | | 分子名称: | CHLORIDE ION, GLYCEROL, Glutamate receptor ionotropic, ... | | 著者 | Moellerud, S, Frydenvang, K, Kastrup, J.S. | | 登録日 | 2019-07-22 | | 公開日 | 2019-10-30 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | N-(7-(1H-Imidazol-1-yl)-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl)benzamide, a New Kainate Receptor Selective Antagonist and Analgesic: Synthesis, X-ray Crystallography, Structure-Affinity Relationships, and in Vitro and in Vivo Pharmacology.
Acs Chem Neurosci, 10, 2019
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4Q6W
 | | Crystal Structure of Periplasmic Binding Protein type 1 from Bordetella pertussis Tohama I complexed with 3-Hydroxy Benzoic Acid | | 分子名称: | 1,2-ETHANEDIOL, 3-HYDROXYBENZOIC ACID, GLYCEROL, ... | | 著者 | Kim, Y, Joachimiak, G, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2014-04-23 | | 公開日 | 2014-07-02 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Crystal Structure of Periplasmic Binding Protein type 1 from Bordetella pertussis Tohama I complexed with 3-Hydroxy Benzoic Acid
To be Published, 2014
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3DS1
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3DNO
 | | Molecular structure for the HIV-1 gp120 trimer in the CD4-bound state | | 分子名称: | HIV-1 envelope glycoprotein gp120 | | 著者 | Borgnia, M.J, Liu, J, Bartesaghi, A, Sapiro, G, Subramaniam, S. | | 登録日 | 2008-07-02 | | 公開日 | 2008-08-19 | | 最終更新日 | 2024-10-30 | | 実験手法 | ELECTRON MICROSCOPY (20 Å) | | 主引用文献 | Molecular architecture of native HIV-1 gp120 trimers.
Nature, 455, 2008
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4YQM
 | | Glutathione S-transferase Omega 1 bound to covalent inhibitor C1-27 | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide, Glutathione S-transferase omega-1 | | 著者 | Stuckey, J.A. | | 登録日 | 2015-03-13 | | 公開日 | 2016-10-12 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | | 主引用文献 | Mechanistic evaluation and transcriptional signature of a glutathione S-transferase omega 1 inhibitor.
Nat Commun, 7, 2016
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3DS2
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8CN3
 | | hDLG1-PDZ2 in complex with a TAX1 peptide from HTLV-1 | | 分子名称: | Disks large homolog 1, GLU-THR-GLU-VAL | | 著者 | Maseko, S, Sogues, A, Volkov, A, Remaut, H, Twizere, J.C. | | 登録日 | 2023-02-21 | | 公開日 | 2023-08-02 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | | 主引用文献 | Identification of small molecule antivirals against HTLV-1 by targeting the hDLG1-Tax-1 protein-protein interaction.
Antiviral Res., 217, 2023
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7LW1
 | | Human phosphofructokinase-1 liver type bound to activator NA-11 | | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, 6-O-phosphono-beta-D-fructofuranose, ADENOSINE-5'-DIPHOSPHATE, ... | | 著者 | Lynch, E.M, Kollman, J.M, Webb, B. | | 登録日 | 2021-02-27 | | 公開日 | 2022-01-26 | | 最終更新日 | 2024-05-29 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Selective activation of PFKL suppresses the phagocytic oxidative burst.
Cell, 184, 2021
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6GPB
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3DTJ
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5CQ6
 | | Crystal structure of the bromodomain of bromodomain adjacent to zinc finger domain protein 2B (BAZ2B) in complex with 2,6-Pyridinedicarboxylic acid (SGC - Diamond I04-1 fragment screening) | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B, PYRIDINE-2,6-DICARBOXYLIC ACID | | 著者 | Bradley, A, Pearce, N, Krojer, T, Ng, J, Talon, R, Vollmar, M, Jose, B, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2015-07-21 | | 公開日 | 2015-09-09 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Crystal structure of the second bromodomain of bromodomain adjancent to zinc finger domain protein 2B (BAZ2B) in complex with 2,6-Pyridinedicarboxylic acid (SGC - Diamond I04-1 fragment screening)
To be published
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5FTQ
 | | Crystal structure of the ALK kinase domain in complex with Cmpd 17 | | 分子名称: | ALK TYROSINE KINASE RECEPTOR, GLYCEROL, N-[5-(3,5-DIFLUOROBENZYL)-1H-INDAZOL-3-YL]-2-[(4-HYDROXYCYCLOHEXYL)AMINO]-4-(4-METHYLPIPERAZIN-1-YL) BENZAMIDE | | 著者 | Bossi, R, Canevari, G, Fasolini, M, Menichincheri, M, Ardini, E, Magnaghi, P, Avanzi, N, Banfi, P, Buffa, L, Ceriani, L, Colombo, M, Corti, L, Donati, D, Felder, E, Fiorelli, C, Fiorentini, F, Galvani, A, Isacchi, A, Lombardi Borgia, A, Marchionni, C, Nesi, M, Orrenius, C, Panzeri, A, Perrone, E, Pesenti, E, Rusconi, L, Saccardo, M.B, Vanotti, E, Orsini, P. | | 登録日 | 2016-01-14 | | 公開日 | 2016-04-06 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Discovery of Entrectinib: A New 3-Aminoindazole as a Potent Anaplastic Lymphoma Kinase (Alk), C-Ros Oncogene 1 Kinase (Ros1), and Pan-Tropomyosin Receptor Kinases (Pan-Trks) Inhibitor.
J.Med.Chem., 59, 2016
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7LSK
 | | Structure of HIV-1 Reverse Transcriptase in complex with DNA, L-dTTP, and CA(2+) ion | | 分子名称: | 1-{2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-L-erythro-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione, AMMONIUM ION, CALCIUM ION, ... | | 著者 | Hoang, A, Ruiz, F.X, Arnold, E. | | 登録日 | 2021-02-18 | | 公開日 | 2022-02-23 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structural basis of HIV inhibition by L-nucleosides: Opportunities for drug development and repurposing.
Drug Discov Today, 27, 2022
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3TYT
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2UY4
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5CQ8
 | | Crystal structure of the bromodomain of bromodomain adjacent to zinc finger domain protein 2B (BAZ2B) in complex with 4'-Hydroxyacetophenone (SGC - Diamond I04-1 fragment screening) | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B, P-HYDROXYACETOPHENONE | | 著者 | Bradley, A, Pearce, N, Krojer, T, Ng, J, Talon, R, Vollmar, M, Jose, B, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2015-07-21 | | 公開日 | 2015-09-09 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.651 Å) | | 主引用文献 | Crystal structure of the second bromodomain of bromodomain adjancent to zinc finger domain protein 2B (BAZ2B) in complex with 4'-Hydroxyacetophenone (SGC - Diamond I04-1 fragment screening)
To be published
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5CSO
 | | Structure of the complex of type 1 ribosome inactivating protein from Momordica balsamina with a nucleoside, cytidine at 1.78 A resolution | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, GLYCEROL, ... | | 著者 | Yamin, S, Pandey, S, Kaur, P, Sharma, S, Singh, T.P. | | 登録日 | 2015-07-23 | | 公開日 | 2015-08-12 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Binding and structural studies of the complexes of type 1 ribosome inactivating protein fromMomordica balsaminawith cytosine, cytidine, and cytidine diphosphate.
Biochem Biophys Rep, 4, 2015
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5TKB
 | | CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 4D IN COMPLEX WITH A TETRAFLUORANLINE COMPOUND | | 分子名称: | ETHANOL, MAGNESIUM ION, N-[(2R)-2,3-dihydroxy-2-methylpropyl]-8-(methylamino)-6-[(2,3,5,6-tetrafluorophenyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide, ... | | 著者 | Sack, J.S. | | 登録日 | 2016-10-06 | | 公開日 | 2016-12-28 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | | 主引用文献 | Identification of imidazo[1,2-b]pyridazine TYK2 pseudokinase ligands as potent and selective allosteric inhibitors of TYK2 signalling.
Medchemcomm, 8, 2017
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7B39
 | | Allene-Based Design of a Noncalcemic Vitamin D Receptor Agonist | | 分子名称: | (1R,3S,Z)-5-(2-((3aS,7aS,E)-1-(6-hydroxy-6-methylhept-1-en-1-ylidene)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol, ACETATE ION, Nuclear receptor coactivator 1, ... | | 著者 | Rochel, N. | | 登録日 | 2020-11-29 | | 公開日 | 2021-09-01 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | | 主引用文献 | Design, Synthesis, Evaluation and Structure of Allenic 1 alpha ,25-Dihydroxyvitamin D 3 Analogs with Locked Mobility at C-17.
Chemistry, 27, 2021
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6T6R
 | | Human endoplasmic reticulum aminopeptidase 1 (ERAP1) in complex with (4aR,5S,6R,8S,8aR)-5-(2-(Furan-3-yl)ethyl)-8-hydroxy-5,6,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid | | 分子名称: | (4~{a}~{R},5~{S},6~{R},8~{S},8~{a}~{R})-5-[2-(furan-3-yl)ethyl]-5,6,8~{a}-trimethyl-8-oxidanyl-3,4,4~{a},6,7,8-hexahydronaphthalene-1-carboxylic acid, 1,2-ETHANEDIOL, D-MALATE, ... | | 著者 | Rowland, P. | | 登録日 | 2019-10-18 | | 公開日 | 2020-03-18 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | Targeting the Regulatory Site of ER Aminopeptidase 1 Leads to the Discovery of a Natural Product Modulator of Antigen Presentation.
J.Med.Chem., 63, 2020
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4YHQ
 | | Crystal structure of multidrug resistant clinical isolate PR20 with GRL-5010A | | 分子名称: | (3R,3aS,6aS)-4,4-difluorohexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, GLYCEROL, ... | | 著者 | Agniswamy, J, Weber, I.T. | | 登録日 | 2015-02-27 | | 公開日 | 2015-06-10 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Substituted Bis-THF Protease Inhibitors with Improved Potency against Highly Resistant Mature HIV-1 Protease PR20.
J.Med.Chem., 58, 2015
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