8GPV
 
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8GPS
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4EBV
 | | Structure of Focal Adhesion Kinase catalytic domain in complex with novel allosteric inhibitor | | Descriptor: | 8-(4-ethylphenyl)-5-methyl-2,5-dihydropyrazolo[4,3-c][2,1]benzothiazine 4,4-dioxide, Focal adhesion kinase 1, ISOPROPYL ALCOHOL | | Authors: | Skene, R.J, Hosfield, D.J. | | Deposit date: | 2012-03-25 | | Release date: | 2012-08-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Discovery and characterization of novel allosteric FAK inhibitors.
Eur.J.Med.Chem., 61, 2013
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5YOJ
 | | Structure of A17 HIV-1 Protease in Complex with Inhibitor KNI-1657 | | Descriptor: | (4R)-N-[(2,6-dimethylphenyl)methyl]-3-[(2S,3S)-3-[[(2S)-2-[(7-methoxy-1-benzofuran-2-yl)carbonylamino]-2-[(3R)-oxolan-3 -yl]ethanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, A17 HIV-1 protease, GLYCEROL | | Authors: | Adachi, M, Hidaka, K, Kuroki, R, Kiso, Y. | | Deposit date: | 2017-10-29 | | Release date: | 2018-07-11 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Identification of Highly Potent Human Immunodeficiency Virus Type-1 Protease Inhibitors against Lopinavir and Darunavir Resistant Viruses from Allophenylnorstatine-Based Peptidomimetics with P2 Tetrahydrofuranylglycine.
J. Med. Chem., 61, 2018
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2YT0
 | | Solution structure of the chimera of the C-terminal tail peptide of APP and the C-terminal PID domain of Fe65L | | Descriptor: | Amyloid beta A4 protein and Amyloid beta A4 precursor protein-binding family B member 2 | | Authors: | Li, H, Koshiba, S, Tochio, N, Watanabe, S, Harada, T, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2007-04-05 | | Release date: | 2008-04-08 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Structure of the C-terminal phosphotyrosine interaction domain of Fe65L1 complexed with the cytoplasmic tail of amyloid precursor protein reveals a novel peptide binding mode
J.Biol.Chem., 283, 2008
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2YT1
 | | Solution structure of the chimera of the C-terminal tail peptide of APP and the C-terminal PID domain of Fe65L | | Descriptor: | Amyloid beta A4 protein and Amyloid beta A4 precursor protein-binding family B member 2 | | Authors: | Li, H, Koshiba, S, Watanabe, S, Harada, T, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2007-04-05 | | Release date: | 2008-04-08 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Structure of the C-terminal phosphotyrosine interaction domain of Fe65L1 complexed with the cytoplasmic tail of amyloid precursor protein reveals a novel peptide binding mode
J.Biol.Chem., 283, 2008
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1WGU
 | | Solution Structure of the C-terminal Phosphotyrosine Interaction Domain of APBB2 from Mouse | | Descriptor: | amyloid beta (A4) precursor protein-binding, family B, member 2 | | Authors: | Li, H, Hayashi, F, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2004-05-28 | | Release date: | 2004-11-28 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Structure of the C-terminal phosphotyrosine interaction domain of Fe65L1 complexed with the cytoplasmic tail of amyloid precursor protein reveals a novel peptide binding mode
J.Biol.Chem., 283, 2008
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2YSZ
 | | Solution structure of the chimera of the C-terminal PID domain of Fe65L and the C-terminal tail peptide of APP | | Descriptor: | Amyloid beta A4 precursor protein-binding family B member 2 and Amyloid beta A4 protein | | Authors: | Li, H, Koshiba, S, Watanabe, S, Harada, T, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2007-04-05 | | Release date: | 2008-04-08 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Structure of the C-terminal phosphotyrosine interaction domain of Fe65L1 complexed with the cytoplasmic tail of amyloid precursor protein reveals a novel peptide binding mode
J.Biol.Chem., 283, 2008
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2ZYE
 | | Structure of HIV-1 Protease in Complex with Potent Inhibitor KNI-272 Determined by Neutron Crystallography | | Descriptor: | (4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl-L-cysteinyl}amino)-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide, protease | | Authors: | Adachi, M, Ohhara, T, Tamada, T, Okazaki, N, Kuroki, R. | | Deposit date: | 2009-01-20 | | Release date: | 2009-03-24 | | Last modified: | 2024-05-29 | | Method: | NEUTRON DIFFRACTION (1.9 Å) | | Cite: | Structure of HIV-1 protease in complex with potent inhibitor KNI-272 determined by high-resolution X-ray and neutron crystallography.
Proc.Natl.Acad.Sci.USA, 2009
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3A2O
 | | Crystal Structure of HIV-1 Protease Complexed with KNI-1689 | | Descriptor: | (4R)-3-[(2S,3S)-3-{[(4-amino-2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-N-(2-methylprop -2-en-1-yl)-1,3-thiazolidine-4-carboxamide, GLYCEROL, PROTEASE | | Authors: | Adachi, M, Tamada, T, Hidaka, K, Kimura, T, Kiso, Y, Kuroki, R. | | Deposit date: | 2009-05-26 | | Release date: | 2010-03-02 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (0.88 Å) | | Cite: | Small-sized human immunodeficiency virus type-1 protease inhibitors containing allophenylnorstatine to explore the S2' pocket.
J.Med.Chem., 52, 2009
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3VJK
 | | Crystal structure of human depiptidyl peptidase IV (DPP-4) in complex with MP-513 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ... | | Authors: | Akahoshi, F, Kishida, H, Miyaguchi, I, Yoshida, T, Ishii, S. | | Deposit date: | 2011-10-24 | | Release date: | 2012-10-24 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Discovery and preclinical profile of teneligliptin (3-[(2S,4S)-4-[4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)piperazin-1-yl]pyrrolidin-2-ylcarbonyl]thiazolidine): A highly potent, selective, long-lasting and orally active dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes
Bioorg.Med.Chem., 20, 2012
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3VJL
 | | Crystal structure of human depiptidyl peptidase IV (DPP-4) in complex with a prolylthiazolidine inhibitor #2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ... | | Authors: | Akahoshi, F, Kishida, H, Miyaguchi, I, Yoshida, T, Ishii, S. | | Deposit date: | 2011-10-24 | | Release date: | 2012-10-24 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.393 Å) | | Cite: | Discovery and preclinical profile of teneligliptin (3-[(2S,4S)-4-[4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)piperazin-1-yl]pyrrolidin-2-ylcarbonyl]thiazolidine): A highly potent, selective, long-lasting and orally active dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes
Bioorg.Med.Chem., 20, 2012
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5H18
 | | Crystal structure of catalytic domain of UGGT (UDP-glucose-bound form) from Thermomyces dupontii | | Descriptor: | CALCIUM ION, GLYCEROL, UGGT, ... | | Authors: | Satoh, T, Zhu, T, Toshimori, T, Kamikubo, H, Uchihashi, T, Kato, K. | | Deposit date: | 2016-10-08 | | Release date: | 2017-09-27 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Visualisation of a flexible modular structure of the ER folding-sensor enzyme UGGT.
Sci Rep, 7, 2017
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7X73
 | | Structure of G9a in complex with RK-701 | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Histone-lysine N-methyltransferase EHMT2, ... | | Authors: | Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Shirouzu, M, Umehara, T. | | Deposit date: | 2022-03-09 | | Release date: | 2022-12-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | A specific G9a inhibitor unveils BGLT3 lncRNA as a universal mediator of chemically induced fetal globin gene expression.
Nat Commun, 14, 2023
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6AIT
 | | Crystal structure of E. coli BepA | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-barrel assembly-enhancing protease, ZINC ION | | Authors: | Umar, M.S.M, Tanaka, Y, Kamikubo, H, Tsukazaki, T. | | Deposit date: | 2018-08-24 | | Release date: | 2018-12-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.598 Å) | | Cite: | Structural Basis for the Function of the beta-Barrel Assembly-Enhancing Protease BepA.
J. Mol. Biol., 431, 2019
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5AYJ
 | | Hyperthermostable mutant of Bacillus sp. TB-90 Urate Oxidase - R298C | | Descriptor: | 9-METHYL URIC ACID, HEXAETHYLENE GLYCOL, SULFATE ION, ... | | Authors: | Hibi, T, Kume, A, Kawamura, A, Itoh, T, Nishiya, Y. | | Deposit date: | 2015-08-21 | | Release date: | 2016-01-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Hyperstabilization of Tetrameric Bacillus sp. TB-90 Urate Oxidase by Introducing Disulfide Bonds through Structural Plasticity
Biochemistry, 55, 2016
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7UIR
 | | Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and Tiam1 in complex with ATP | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-TRIPHOSPHATE, Calcium/calmodulin-dependent protein kinase type II subunit alpha, ... | | Authors: | Ozden, C, Stratton, M.M, Garman, S.C. | | Deposit date: | 2022-03-29 | | Release date: | 2022-04-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | CaMKII binds both substrates and activators at the active site.
Cell Rep, 40, 2022
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7UIQ
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7UIS
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7UJT
 | | Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluN2B(S1303D) in complex with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Calcium/calmodulin-dependent protein kinase type II subunit alpha, GLYCEROL, ... | | Authors: | Ozden, C, Stratton, M.M, Garman, S.C. | | Deposit date: | 2022-03-31 | | Release date: | 2022-04-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | CaMKII binds both substrates and activators at the active site.
Cell Rep, 40, 2022
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7UJR
 | | Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluN2B | | Descriptor: | 1,2-ETHANEDIOL, Calcium/calmodulin-dependent protein kinase type II subunit alpha, Glutamate receptor ionotropic, ... | | Authors: | Ozden, C, Santos, N.J, Stratton, M.M, Garman, S.C. | | Deposit date: | 2022-03-31 | | Release date: | 2022-04-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | CaMKII binds both substrates and activators at the active site.
Cell Rep, 40, 2022
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7UJS
 | | Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluN2B in complex with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Calcium/calmodulin-dependent protein kinase type II subunit alpha, Glutamate receptor ionotropic, ... | | Authors: | Ozden, C, Santos, N.J, Stratton, M.M, Garman, S.C. | | Deposit date: | 2022-03-31 | | Release date: | 2022-04-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | CaMKII binds both substrates and activators at the active site.
Cell Rep, 40, 2022
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7UJQ
 | | Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluN2B | | Descriptor: | Calcium/calmodulin-dependent protein kinase type II subunit alpha, GLYCEROL, Glutamate receptor ionotropic, ... | | Authors: | Ozden, C, Foster, J.C, Stratton, M.M, Garman, S.C. | | Deposit date: | 2022-03-31 | | Release date: | 2022-04-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | CaMKII binds both substrates and activators at the active site.
Cell Rep, 40, 2022
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7UJP
 | | Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluN2B | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Calcium/calmodulin-dependent protein kinase type II subunit alpha, ... | | Authors: | Ozden, C, Foster, J.C, Stratton, M.M, Garman, S.C. | | Deposit date: | 2022-03-31 | | Release date: | 2022-04-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | CaMKII binds both substrates and activators at the active site.
Cell Rep, 40, 2022
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5Y52
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