7Z3W
 
 | | Crystal structure of the AAL160 Fab | | 分子名称: | 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, AAL160 Fab heavy-chain, AAL160 Fab light-chain | | 著者 | Rondeau, J.M, Lehmann, S. | | 登録日 | 2022-03-02 | | 公開日 | 2023-02-08 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | "Redirecting an anti-IL-1 beta antibody to bind a new, unrelated and computationally predicted epitope on hIL-17A".
Commun Biol, 6, 2023
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8VZE
 | | Crystal Structure of 2-Hydroxyacyl-CoA lyase/synthase TbHACS from Thermoflexaceae bacterium in the Complex with THDP, 2-Hydroxyisobutyryl-CoA and ADP | | 分子名称: | 1,2-ETHANEDIOL, 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(hydroxymethyl)-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium, ADENOSINE-5'-DIPHOSPHATE, ... | | 著者 | Kim, Y, Maltseva, M, Endres, M, Lee, S, Yoshikuni, Y, Gonzalez, R, Michalska, K, Joachimiak, A. | | 登録日 | 2024-02-11 | | 公開日 | 2024-10-02 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Revealing reaction intermediates in one-carbon elongation by thiamine diphosphate/CoA-dependent enzyme family.
Commun Chem, 7, 2024
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7LQ1
 | | HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 28 | | 分子名称: | CHLORIDE ION, N-(5-(6-(2-((2S,6R)-2,6-dimethylmorpholino)pyridin-4-yl)-1-oxoisoindolin-4-yl)-2-methoxypyridin-3-yl)methanesulfonamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | | 著者 | Lesburg, C.A, Augustin, M. | | 登録日 | 2021-02-12 | | 公開日 | 2022-02-16 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.96 Å) | | 主引用文献 | Discovery of a new series of PI3K-delta inhibitors from Virtual Screening.
Bioorg.Med.Chem.Lett., 42, 2021
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4DGD
 | | TRIMCyp cyclophilin domain from Macaca mulatta: H70C mutant | | 分子名称: | GLYCEROL, TRIMCyp | | 著者 | Caines, M.E.C, Bichel, K, Price, A.J, McEwan, W.A, James, L.C. | | 登録日 | 2012-01-25 | | 公開日 | 2012-02-08 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Diverse HIV viruses are targeted by a conformationally dynamic antiviral.
Nat.Struct.Mol.Biol., 19, 2012
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5ITD
 | | Crystal structure of PI3K alpha with PI3K delta inhibitor | | 分子名称: | 5-{4-[3-(4-acetylpiperazine-1-carbonyl)phenyl]quinazolin-6-yl}-2-methoxypyridine-3-carbonitrile, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | 著者 | Knapp, M.S, Elling, R.A. | | 登録日 | 2016-03-16 | | 公開日 | 2016-09-07 | | 最終更新日 | 2025-04-09 | | 実験手法 | X-RAY DIFFRACTION (3.02 Å) | | 主引用文献 | Discovery and Pharmacological Characterization of Novel Quinazoline-Based PI3K Delta-Selective Inhibitors.
Acs Med.Chem.Lett., 7, 2016
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6VLM
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7M7V
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6CY1
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5VWV
 | | Bak core latch dimer in complex with Bim-BH3 - Cubic | | 分子名称: | 1,2-ETHANEDIOL, Bcl-2 homologous antagonist/killer, Bcl-2-like protein 11, ... | | 著者 | Brouwer, J.M, Colman, P.M, Czabotar, P.E. | | 登録日 | 2017-05-23 | | 公開日 | 2017-11-15 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.897 Å) | | 主引用文献 | Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design.
Mol. Cell, 68, 2017
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6VRB
 | | Cryo-EM structure of AcrVIA1-Cas13(crRNA) complex | | 分子名称: | AcrVIA1, CRISPR-associated endoribonuclease Cas13a, RNA (52-MER) | | 著者 | Jia, N, Meeske, A.J, Marraffini, L.A, Patel, D.J. | | 登録日 | 2020-02-07 | | 公開日 | 2020-06-10 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | A phage-encoded anti-CRISPR enables complete evasion of type VI-A CRISPR-Cas immunity.
Science, 369, 2020
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8VZD
 | | Crystal Structure of 2-Hydroxyacyl-CoA lyase/synthase TbHACS from Thermoflexaceae bacterium in the Complex with THDP, Formyl-CoA and ADP | | 分子名称: | 1,2-ETHANEDIOL, 2-Hydroxyacyl-CoA Lyase/Synthase TbHACS, ADENOSINE-5'-DIPHOSPHATE, ... | | 著者 | Kim, Y, Maltseva, M, Endres, M, Lee, S, Yoshikuni, Y, Gonzalez, R, Michalska, K, Joachimiak, A. | | 登録日 | 2024-02-11 | | 公開日 | 2024-10-02 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Revealing reaction intermediates in one-carbon elongation by thiamine diphosphate/CoA-dependent enzyme family.
Commun Chem, 7, 2024
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5I24
 | | Crystal Structure of Agd31B, alpha-transglucosylase in Glycoside Hydrolase Family 31, in complex with Cyclophellitol Aziridine probe CF021 | | 分子名称: | (1R,2S,3S,4R,5S,6R)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | 著者 | Wu, L, Davies, G.J. | | 登録日 | 2016-02-08 | | 公開日 | 2016-05-04 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Detection of Active Mammalian GH31 alpha-Glucosidases in Health and Disease Using In-Class, Broad-Spectrum Activity-Based Probes.
Acs Cent.Sci., 2, 2016
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9CJ0
 | | The High-Resolution Structure of a Variable Lymphocyte Receptor from Petromyzon marinus Capable of Binding to the Brain Extracellular Matrix | | 分子名称: | 3-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]PROPANE-1-SULFONIC ACID, SULFATE ION, Variable Lymphocyte Receptor | | 著者 | Appelt, E.A, Thoden, J.B, Shusta, E.V, Holden, H.M. | | 登録日 | 2024-07-05 | | 公開日 | 2024-07-31 | | 最終更新日 | 2025-03-19 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | The High-Resolution Structure of a Variable Lymphocyte Receptor From Petromyzon marinus Capable of Binding to the Brain Extracellular Matrix.
Proteins, 93, 2025
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2BIL
 | | The human protein kinase Pim1 in complex with its consensus peptide Pimtide | | 分子名称: | 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, CONSENSUS PIM1 PEPTIDE PIMTIDE, PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1 | | 著者 | Knapp, S, Debreczeni, J, Bullock, A, von Delft, F, Sundstrom, M, Arrowsmith, C, Edwards, A, Guo, K. | | 登録日 | 2005-01-22 | | 公開日 | 2005-02-07 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | The Human Protein Kinase Pim1 in Complex with its Consensus Peptide Pimtide
To be Published
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6VJB
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5I2N
 | | Structure of the human GluN1/GluN2A LBD in complex with N-ethyl-7-{[2-fluoro-3-(trifluoromethyl)phenyl]methyl}-2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (compound 29) | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, GLUTAMIC ACID, ... | | 著者 | Wallweber, H.J.A, Lupardus, P.J. | | 登録日 | 2016-02-09 | | 公開日 | 2016-03-16 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Discovery of GluN2A-Selective NMDA Receptor Positive Allosteric Modulators (PAMs): Tuning Deactivation Kinetics via Structure-Based Design.
J.Med.Chem., 59, 2016
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2C5V
 | | Differential Binding Of Inhibitors To Active And Inactive Cdk2 Provides Insights For Drug Design | | 分子名称: | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE, ALA-ALA-ABA-ARG-SER-LEU-ILE-PFF-NH2, CELL DIVISION PROTEIN KINASE 2, ... | | 著者 | Kontopidis, G, McInnes, C, Pandalaneni, S.R, McNae, I, Gibson, D, Mezna, M, Thomas, M, Wood, G, Wang, S, Walkinshaw, M.D, Fischer, P.M. | | 登録日 | 2005-11-02 | | 公開日 | 2006-03-01 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Differential Binding of Inhibitors to Active and Inactive Cdk2 Provides Insights for Drug Design.
Chem.Biol., 13, 2006
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2C5N
 | | Differential Binding Of Inhibitors To Active And Inactive Cdk2 Provides Insights For Drug Design | | 分子名称: | CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-N',N'-DIMETHYL-BENZENE-1,4-DIAMINE | | 著者 | Kontopidis, G, McInnes, C, Pandalaneni, S.R, McNae, I, Gibson, D, Mezna, M, Thomas, M, Wood, G, Wang, S, Walkinshaw, M.D, Fischer, P.M. | | 登録日 | 2005-10-30 | | 公開日 | 2006-03-01 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Differential Binding of Inhibitors to Active and Inactive Cdk2 Provides Insights for Drug Design.
Chem.Biol., 13, 2006
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6VJJ
 | | Crystal Structure of wild-type KRAS4b (GMPPNP-bound) in complex with RAS-binding domain (RBD) of RAF1/CRAF | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | 著者 | Tran, T.H, Dharmaiah, S, Simanshu, D.K. | | 登録日 | 2020-01-16 | | 公開日 | 2020-11-25 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | KRAS interaction with RAF1 RAS-binding domain and cysteine-rich domain provides insights into RAS-mediated RAF activation.
Nat Commun, 12, 2021
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5I86
 | | Crystal structure of the bromodomain of human CREBBP bound to the benzodiazepinone G02778174 | | 分子名称: | (4R)-N-benzyl-4-methyl-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-6-carboxamide, 1,2-ETHANEDIOL, CREB-binding protein, ... | | 著者 | Jayaram, H, Poy, F, Setser, J.W, Bellon, S.F. | | 登録日 | 2016-02-18 | | 公開日 | 2016-04-20 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 主引用文献 | Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637).
Acs Med.Chem.Lett., 7, 2016
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2XEC
 | | Nocardia farcinica maleate cis-trans isomerase bound to TRIS | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, PUTATIVE MALEATE ISOMERASE | | 著者 | Fisch, F, Martinez-Fleites, C, Baudendistel, N, Hauer, B, Turkenburg, J.P, Hart, S, Bruce, N.C, Grogan, G. | | 登録日 | 2010-05-13 | | 公開日 | 2010-08-18 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | A Covalent Succinylcysteine-Like Intermediate in the Enzyme-Catalyzed Transformation of Maleate to Fumarate by Maleate Isomerase.
J.Am.Chem.Soc., 132, 2010
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2XUS
 | | Crystal Structure of the BRMS1 N-terminal region | | 分子名称: | BREAST CANCER METASTASIS-SUPPRESSOR 1, CHLORIDE ION, SULFATE ION | | 著者 | Spinola-Amilibia, M, Rivera, J, Ortiz-Lombardia, M, Romero, A, Neira, J.L, Bravo, J. | | 登録日 | 2010-10-20 | | 公開日 | 2011-07-27 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.912 Å) | | 主引用文献 | The Structure of Brms1 Nuclear Export Signal and Snx6 Interacting Region Reveals a Hexamer Formed by Antiparallel Coiled Coils.
J.Mol.Biol., 411, 2011
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2XFG
 | | Reassembly and co-crystallization of a family 9 processive endoglucanase from separately expressed GH9 and CBM3c modules | | 分子名称: | CALCIUM ION, CHLORIDE ION, ENDOGLUCANASE 1 | | 著者 | Petkun, S, Lamed, R, Jindou, S, Burstein, T, Yaniv, O, Shoham, Y, Shimon, J.W.L, Bayer, E.A, Frolow, F. | | 登録日 | 2010-05-24 | | 公開日 | 2011-06-22 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.679 Å) | | 主引用文献 | Reassembly and Co-Crystallization of a Family 9 Processive Endoglucanase from its Component Parts: Structural and Functional Significance of Intermodular Linker
Peerj, 3, 2015
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2XK7
 | | Structure of Nek2 bound to aminopyrazine compound 23 | | 分子名称: | (3R,4R)-1-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-3-ethylpiperidine-4-carboxylic acid, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK2 | | 著者 | Mas-Droux, C, Bayliss, R. | | 登録日 | 2010-07-07 | | 公開日 | 2010-10-27 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.992 Å) | | 主引用文献 | Aminopyrazine Inhibitors Binding to an Unusual Inactive Conformation of the Mitotic Kinase Nek2: Sar and Structural Characterization.
J.Med.Chem., 53, 2010
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3SRA
 | | Structure of Pseudomonas aerugionsa PvdQ covalently acylated with myristic acid from PVDIq | | 分子名称: | 1,2-ETHANEDIOL, Acyl-homoserine lactone acylase PvdQ subunit alpha, Acyl-homoserine lactone acylase PvdQ subunit beta, ... | | 著者 | Gulick, A.M, Drake, E.J. | | 登録日 | 2011-07-07 | | 公開日 | 2011-09-21 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural Characterization and High-Throughput Screening of Inhibitors of PvdQ, an NTN Hydrolase Involved in Pyoverdine Synthesis.
Acs Chem.Biol., 6, 2011
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