3WJ2
 
 | | Crystal structure of ESTFA (FE-lacking apo form) | | Descriptor: | Carboxylesterase | | Authors: | Ohara, K, Unno, H, Oshima, Y, Furukawa, K, Fujino, N, Hirooka, K, Hemmi, H, Takahashi, S, Nishino, T, Kusunoki, M, Nakayama, T. | | Deposit date: | 2013-10-03 | | Release date: | 2014-07-30 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Structural insights into the low pH adaptation of a unique carboxylesterase from Ferroplasma: altering the pH optima of two carboxylesterases.
J.Biol.Chem., 289, 2014
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3WJ1
 | | Crystal structure of SSHESTI | | Descriptor: | Carboxylesterase, octyl beta-D-glucopyranoside | | Authors: | Ohara, K, Unno, H, Oshima, Y, Furukawa, K, Fujino, N, Hirooka, K, Hemmi, H, Takahashi, S, Nishino, T, Kusunoki, M, Nakayama, T. | | Deposit date: | 2013-10-03 | | Release date: | 2014-07-30 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural insights into the low pH adaptation of a unique carboxylesterase from Ferroplasma: altering the pH optima of two carboxylesterases.
J.Biol.Chem., 289, 2014
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4P9N
 | | Crystal structure of sshesti PE mutant | | Descriptor: | Carboxylesterase | | Authors: | Unno, H. | | Deposit date: | 2014-04-04 | | Release date: | 2014-07-30 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Insights into the Low pH Adaptation of a Unique Carboxylesterase from Ferroplasma: ALTERING THE pH OPTIMA OF TWO CARBOXYLESTERASES.
J.Biol.Chem., 289, 2014
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7YV1
 | | Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor LUNA18 and KA30L Fab | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, KA30L Fab H-chain, ... | | Authors: | Irie, M, Fukami, T.A, Matsuo, A, Saka, K, Nishimura, M, Saito, H, Torizawa, T, Tanada, M, Ohta, A. | | Deposit date: | 2022-08-18 | | Release date: | 2023-07-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.454 Å) | | Cite: | Validation of a New Methodology to Create Oral Drugs beyond the Rule of 5 for Intracellular Tough Targets.
J.Am.Chem.Soc., 145, 2023
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7YUZ
 | | Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor AP8784 | | Descriptor: | AP8784, GUANOSINE-5'-DIPHOSPHATE, IODIDE ION, ... | | Authors: | Irie, M, Fukami, T.A, Tanada, M, Ohta, A, Torizawa, T. | | Deposit date: | 2022-08-18 | | Release date: | 2023-07-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.878 Å) | | Cite: | Validation of a New Methodology to Create Oral Drugs beyond the Rule of 5 for Intracellular Tough Targets.
J.Am.Chem.Soc., 145, 2023
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7DC7
 | | Crystal structure of D12 Fab-ATP complex | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, D12 Fab heavy chain, D12 Fab light chain | | Authors: | Kawauchi, H, Fukami, T.A, Tatsumi, K, Torizawa, T, Mimoto, F. | | Deposit date: | 2020-10-23 | | Release date: | 2021-01-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Exploitation of Elevated Extracellular ATP to Specifically Direct Antibody to Tumor Microenvironment.
Cell Rep, 33, 2020
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7DC8
 | | Crystal structure of Switch Ab Fab and hIL6R in complex with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Interleukin-6 receptor subunit alpha, SULFATE ION, ... | | Authors: | Kadono, S, Fukami, T.A, Kawauchi, H, Torizawa, T, Mimoto, F. | | Deposit date: | 2020-10-23 | | Release date: | 2021-01-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.757 Å) | | Cite: | Exploitation of Elevated Extracellular ATP to Specifically Direct Antibody to Tumor Microenvironment.
Cell Rep, 33, 2020
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8JJS
 | | Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor AP10343 | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAA-ILE-SAR-SAR-7T2-SAR-IAE-LEU-MEA-MLE-7TK, ... | | Authors: | Irie, M, Fukami, T.A, Tanada, M, Ohta, A, Torizawa, T. | | Deposit date: | 2023-05-31 | | Release date: | 2023-07-26 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.534 Å) | | Cite: | Development of Orally Bioavailable Peptides Targeting an Intracellular Protein: From a Hit to a Clinical KRAS Inhibitor.
J.Am.Chem.Soc., 145, 2023
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3WIG
 | | Human MEK1 kinase in complex with CH5126766 and MgAMP-PNP | | Descriptor: | CHLORIDE ION, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | | Authors: | Lukacs, C.M, Janson, C, Schuck, V. | | Deposit date: | 2013-09-12 | | Release date: | 2014-06-04 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Disruption of CRAF-Mediated MEK Activation Is Required for Effective MEK Inhibition in KRAS Mutant Tumors
Cancer Cell, 25, 2014
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3W0T
 | | Human Glyoxalase I with an N-hydroxypyridone derivative inhibitor | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Lactoylglutathione lyase, N-[3-(1-hydroxy-6-oxo-4-phenyl-1,6-dihydropyridin-2-yl)phenyl]methanesulfonamide, ... | | Authors: | Fukami, T.A, Irie, M, Matsuura, T. | | Deposit date: | 2012-11-02 | | Release date: | 2013-11-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.351 Å) | | Cite: | N-Hydroxypyridone-based glyoxalase I inhibitors mimicking binding interactions of the substrate
To be Published
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3VW9
 | | Human Glyoxalase I with an N-hydroxypyridone inhibitor | | Descriptor: | 1-hydroxy-6-[1-(3-methoxypropyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-phenylpyridin-2(1H)-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Lactoylglutathione lyase, ... | | Authors: | Fukami, T.A, Irie, M, Matsuura, T. | | Deposit date: | 2012-08-10 | | Release date: | 2012-12-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Design and evaluation of azaindole-substituted N-hydroxypyridones as glyoxalase I inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
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3W0U
 | | human Glyoxalase I with an N-hydroxypyridone inhibitor | | Descriptor: | Lactoylglutathione lyase, N-[3-(1-Hydroxy-6-oxo-4-phenyl-1,6-dihydro-pyridin-2-yl)-5-methanesulfonylamino-phenyl]-methanesulfonamide, ZINC ION | | Authors: | Fukami, T.A, Irie, M, Matsuura, T. | | Deposit date: | 2012-11-02 | | Release date: | 2013-11-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | N-Hydroxypyridone-based glyoxalase I inhibitors mimicking binding interactions of the substrate
to be published
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