4AJG
 
 | | Identification and structural characterization of PDE10 fragment inhibitors | | 分子名称: | CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, MAGNESIUM ION, ... | | 著者 | Johansson, P, Albert, J.S, Spadola, L, Akerud, T, Back, E, Hillertz, P, Horsefeld, R, Scott, C, Spear, N, Tian, G, Tigerstrom, A, Aharony, D, Geschwindner, S. | | 登録日 | 2012-02-16 | | 公開日 | 2013-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Identification and Structural Characterization of Pde10 Fragment Inhibitors
To be Published
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4AJD
 | | Identification and structural characterization of PDE10 fragment inhibitors | | 分子名称: | 2-ETHYL-4-METHYL-PHTHALAZIN-1-ONE, CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, ... | | 著者 | Johansson, P, Albert, J.S, Spadola, L, Akerud, T, Back, E, Hillertz, P, Horsefeld, R, Scott, C, Spear, N, Tian, G, Tigerstrom, A, Aharony, D, Geschwindner, S. | | 登録日 | 2012-02-16 | | 公開日 | 2013-03-06 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Identification and Structural Characterization of Pde10 Fragment Inhibitors
To be Published
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4AJF
 | | Identification and structural characterization of PDE10 fragment inhibitors | | 分子名称: | CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, MAGNESIUM ION, ... | | 著者 | Johansson, P, Albert, J.S, Spadola, L, Akerud, T, Back, E, Hillertz, P, Horsefeld, R, Scott, C, Spear, N, Tian, G, Tigerstrom, A, Aharony, D, Geschwindner, S. | | 登録日 | 2012-02-16 | | 公開日 | 2013-03-06 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Identification and Structural Characterization of Pde10 Fragment Inhibitors
To be Published
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4AJM
 | | Development of a plate-based optical biosensor methodology to identify PDE10 fragment inhibitors | | 分子名称: | 3-AMINO-6-FLUORO-2-[4-(2-METHYLPYRIDIN-4-YL)PHENYL]-N-(METHYLSULFONYL)QUINOLINE-4-CARBOXAMIDE, CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, ... | | 著者 | Geschwindner, S, Johansson, P, Spadola, L, Akerud, T, Back, E, Hillertz, P, Horsefeld, R, Scott, C, Spear, N, Tian, G, Tigerstrom, A, Aharony, D, Albert, J.S. | | 登録日 | 2012-02-16 | | 公開日 | 2013-03-06 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Development of a Plate-Based Optical Biosensor Methodology to Identify Pde10 Fragment Inhibitors
To be Published
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5A4K
 | | Crystal structure of the R139W variant of human NAD(P)H:quinone oxidoreductase | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H DEHYDROGENASE [QUINONE] 1 | | 著者 | Lienhart, W.D, Strandback, E, Gudipati, V, Uhl, M.K, Rantase, D.M, Zangger, K, Gruber, K, Macheroux, P. | | 登録日 | 2015-06-10 | | 公開日 | 2016-06-29 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.093 Å) | | 主引用文献 | Catalytic competence, structure and stability of the cancer-associated R139W variant of the human NAD(P)H:quinone oxidoreductase 1 (NQO1).
FEBS J., 284, 2017
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8BLR
 | | G13D mutant of KRAS4b (2-169) bound to GDP with the switch-I in fully open conformation | | 分子名称: | GTPase KRas, N-terminally processed, GUANOSINE-5'-DIPHOSPHATE | | 著者 | Moche, M, Jungholm, O, Strandback, E, Ampah-Korsah, H, Nyman, T, Orwar, O. | | 登録日 | 2022-11-10 | | 公開日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | The 1.4 A crystal structure of K-Ras4A mutant G13D in open conformation
To Be Published
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7PFL
 | | The SARS-CoV2 major protease (Mpro) apo structure to 1.8 A resolution | | 分子名称: | Replicase polyprotein 1ab, SODIUM ION | | 著者 | Moche, M, Moodie, L, Strandback, E, Nyman, T, Akaberi, D, Lennerstrand, J. | | 登録日 | 2021-08-11 | | 公開日 | 2022-08-24 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | The SARS-CoV2 major protease (Mpro) in complex with a non-covalent inhibitory ligand at 2 A resolution
To Be Published
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7PFM
 | | A SARS-CoV2 major protease non-covalent ligand structure determined to 2.0 A resolution | | 分子名称: | N-[(1R)-2-(tert-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-N-(4-tert-butylphenyl)-1H-imidazole-5-carboxamide, Replicase polyprotein 1ab | | 著者 | Moche, M, Moodie, L, Strandback, E, Nyman, T, Sandstrom, A, Akaberi, D, Lennerstrand, J. | | 登録日 | 2021-08-11 | | 公開日 | 2022-08-24 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The SARS-CoV2 major protease (Mpro) in complex with a non-covalent inhibitory ligand at 2 A resolution
To Be Published
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8CPR
 | | G13D mutant of KRAS4b (2-169) bound to GDP with the switch-I in fully open conformation crystallized in sodium potassium phosphate buffer | | 分子名称: | GTPase KRas, N-terminally processed, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Moche, M, Jungholm, O, Strandback, E, Ampah-Korsah, H, Nyman, T, Orwar, O. | | 登録日 | 2023-03-03 | | 公開日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | A G13D open-state-selective anti-KRAS antibody shows in vivo anti-cancer activity
To Be Published
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6FY4
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6ESN
 | | Ligand complex of RORg LBD | | 分子名称: | (2~{R})-2-acetamido-~{N}-[4-(5-cyano-3-fluoranyl-2-methoxy-phenyl)thiophen-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide, LYS-HIS-LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN-ASP-SER, Nuclear receptor ROR-gamma, ... | | 著者 | Xue, Y, Aagaard, A, Narjes, F. | | 登録日 | 2017-10-23 | | 公開日 | 2018-08-22 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Potent and Orally Bioavailable Inverse Agonists of ROR gamma t Resulting from Structure-Based Design.
J. Med. Chem., 61, 2018
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7OFK
 | | Ligand complex of RORg LBD | | 分子名称: | (1~{R})-2-ethanoyl-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-5-methylsulfonyl-1,3-dihydroisoindole-1-carboxamide, DIMETHYL SULFOXIDE, Nuclear receptor ROR-gamma, ... | | 著者 | Xue, Y, Aagaard, A, Narjes, F. | | 登録日 | 2021-05-05 | | 公開日 | 2022-03-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | | 主引用文献 | AZD0284, a Potent, Selective, and Orally Bioavailable Inverse Agonist of Retinoic Acid Receptor-Related Orphan Receptor C2.
J.Med.Chem., 64, 2021
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7OFI
 | | Ligand complex of RORg LBD | | 分子名称: | (2~{R})-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-~{N}'-methyl-butanediamide, DIMETHYL SULFOXIDE, Nuclear receptor ROR-gamma, ... | | 著者 | Xue, Y, Aagaard, A, Narjes, F. | | 登録日 | 2021-05-05 | | 公開日 | 2022-03-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.953 Å) | | 主引用文献 | AZD0284, a Potent, Selective, and Orally Bioavailable Inverse Agonist of Retinoic Acid Receptor-Related Orphan Receptor C2.
J.Med.Chem., 64, 2021
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6FGQ
 | | Ligand complex of RORg LBD | | 分子名称: | Nuclear receptor ROR-gamma, methyl 4-[[3-[5-[2-(4-ethylsulfonylphenyl)ethanoylamino]thiophen-3-yl]pyridin-2-yl]oxymethyl]benzoate | | 著者 | Xue, Y, Aagaard, A, Narjes, F. | | 登録日 | 2018-01-11 | | 公開日 | 2018-08-22 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | | 主引用文献 | Potent and Orally Bioavailable Inverse Agonists of ROR gamma t Resulting from Structure-Based Design.
J. Med. Chem., 61, 2018
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5NI7
 | | Ligand complex of RORg LBD | | 分子名称: | DIMETHYL SULFOXIDE, Nuclear receptor ROR-gamma, SODIUM ION, ... | | 著者 | Xue, Y, Aagaard, A, Narjes, F. | | 登録日 | 2017-03-23 | | 公開日 | 2018-08-22 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Potent and Orally Bioavailable Inverse Agonists of ROR gamma t Resulting from Structure-Based Design.
J. Med. Chem., 61, 2018
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5NIB
 | | Ligand complex of RORg LBD | | 分子名称: | DIMETHYL SULFOXIDE, Nuclear receptor ROR-gamma, SODIUM ION, ... | | 著者 | Xue, Y, Aagaard, A, Narjes, F. | | 登録日 | 2017-03-23 | | 公開日 | 2018-08-22 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Potent and Orally Bioavailable Inverse Agonists of ROR gamma t Resulting from Structure-Based Design.
J. Med. Chem., 61, 2018
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5NI5
 | | Ligand complex of RORg LBD | | 分子名称: | Nuclear receptor ROR-gamma, SODIUM ION, tethered SRC2-2 peptide, ... | | 著者 | Xue, Y, Aagaard, A, Narjes, F. | | 登録日 | 2017-03-23 | | 公開日 | 2018-08-22 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Potent and Orally Bioavailable Inverse Agonists of ROR gamma t Resulting from Structure-Based Design.
J. Med. Chem., 61, 2018
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5NI8
 | | Ligand complex of RORg LBD | | 分子名称: | 2-(4-ethylsulfonylphenyl)-~{N}-[4-(2-phenylmethoxypyridin-3-yl)thiophen-2-yl]ethanamide, Nuclear receptor ROR-gamma, SODIUM ION, ... | | 著者 | Xue, Y, Aagaard, A, Narjes, F. | | 登録日 | 2017-03-23 | | 公開日 | 2018-08-22 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Potent and Orally Bioavailable Inverse Agonists of ROR gamma t Resulting from Structure-Based Design.
J. Med. Chem., 61, 2018
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8QFZ
 | | TSLP-Bicycle complex | | 分子名称: | 1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one, CYS-HIS-TRP-LEU-GLU-ASN-CYS-TRP-ARG-GLY-PHE-CYS, Thymic stromal lymphopoietin | | 著者 | Petersen, J. | | 登録日 | 2023-09-05 | | 公開日 | 2024-02-07 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Discovery and Characterization of a Bicyclic Peptide (Bicycle) Binder to Thymic Stromal Lymphopoietin.
J.Med.Chem., 67, 2024
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6EJ2
 | | BACE1 compound 28 | | 分子名称: | Beta-secretase 1, compound 28 | | 著者 | Johansson, P. | | 登録日 | 2017-09-20 | | 公開日 | 2018-04-18 | | 最終更新日 | 2018-05-09 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | Toward beta-Secretase-1 Inhibitors with Improved Isoform Selectivity.
J. Med. Chem., 61, 2018
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6EJ3
 | | BACE1 compound 23 | | 分子名称: | (1r,4r)-4-methoxy-6'-(5-methyl-3-pyridinyl)-3'H-dispiro[cyclohexane-1,2'-indene-1',4''-[1,3]oxazol]-2''-amine, Beta-secretase 1 | | 著者 | Johansson, P. | | 登録日 | 2017-09-20 | | 公開日 | 2018-04-18 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Toward beta-Secretase-1 Inhibitors with Improved Isoform Selectivity.
J. Med. Chem., 61, 2018
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6ZK7
 | | Crystal Structure of human PYROXD1/FAD complex | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, Pyridine nucleotide-disulfide oxidoreductase domain-containing protein 1 | | 著者 | Meinhart, A, Asanovic, I, Martinez, J, Clausen, T. | | 登録日 | 2020-06-30 | | 公開日 | 2021-05-12 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | The oxidoreductase PYROXD1 uses NAD(P) + as an antioxidant to sustain tRNA ligase activity in pre-tRNA splicing and unfolded protein response.
Mol.Cell, 81, 2021
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5MP4
 | | The structure of Pst2p from Saccharomyces cerevisiae | | 分子名称: | PHOSPHATE ION, Protoplast secreted protein 2 | | 著者 | Hromic, A, Gruber, K. | | 登録日 | 2016-12-15 | | 公開日 | 2017-05-24 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | | 主引用文献 | Structure, biochemical and kinetic properties of recombinant Pst2p from Saccharomyces cerevisiae, a FMN-dependent NAD(P)H:quinone oxidoreductase.
Biochim. Biophys. Acta, 1865, 2017
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