6P6M
 
 | | HCV NS3/4A protease domain of genotype 1a C159 in complex with glecaprevir | | 分子名称: | (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclop ropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta[18,19][1,10,17, 3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide, CHLORIDE ION, ... | | 著者 | Timm, J, Schiffer, C.A. | | 登録日 | 2019-06-04 | | 公開日 | 2020-06-10 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.201 Å) | | 主引用文献 | HCV NS3/4A protease domain of genotype 1a in complex with glecaprevir
To Be Published
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6DNA
 | | Crystal structure of T110A mutant human Glutamate oxaloacetate transaminase 1 (GOT1) | | 分子名称: | Aspartate aminotransferase, cytoplasmic, PYRIDOXAL-5'-PHOSPHATE, ... | | 著者 | Assar, Z, Holt, M.C, Stein, A.J, Lairson, L, Lyssiotis, C.A. | | 登録日 | 2018-06-06 | | 公開日 | 2018-11-14 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Biochemical Characterization and Structure-Based Mutational Analysis Provide Insight into the Binding and Mechanism of Action of Novel Aspartate Aminotransferase Inhibitors.
Biochemistry, 57, 2018
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7LGI
 | | The haddock model of GDP KRas in complex with promazine using chemical shift perturbations and intermolecular NOEs | | 分子名称: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Wang, X, Gorfe, A.A, Putkey, J.A. | | 登録日 | 2021-01-20 | | 公開日 | 2021-07-21 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Antipsychotic phenothiazine drugs bind to KRAS in vitro.
J.Biomol.Nmr, 75, 2021
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6G4C
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5T7E
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5TOQ
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6T8P
 | | HKATII IN COMPLEX WITH LIGAND (2R)-N-benzyl-1-[6-methyl-5-(oxan-4-yl)-7-oxo-6H,7H-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide | | 分子名称: | 1,2-ETHANEDIOL, 3,5-bis(fluoranyl)-~{N}-[5-[(2~{R})-2-(3-fluorophenyl)-3-methyl-butyl]-1,3,4-thiadiazol-2-yl]benzenesulfonamide, IODIDE ION, ... | | 著者 | Blaesse, M, Venalainen, J. | | 登録日 | 2019-10-24 | | 公開日 | 2020-03-04 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Discovery of sulfonamides and 9-oxo-2,8-diazaspiro[5,5]undecane-2-carboxamides as human kynurenine aminotransferase 2 (KAT2) inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
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5TON
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5TOR
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6DNB
 | | Crystal structure of T110A:S256A mutant human Glutamate oxaloacetate transaminase 1 (GOT1) | | 分子名称: | Aspartate aminotransferase, cytoplasmic, GLYCEROL, ... | | 著者 | Assar, Z, Holt, M.C, Stein, A.J, Lairson, L, Lyssiotis, C.A. | | 登録日 | 2018-06-06 | | 公開日 | 2018-11-14 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Biochemical Characterization and Structure-Based Mutational Analysis Provide Insight into the Binding and Mechanism of Action of Novel Aspartate Aminotransferase Inhibitors.
Biochemistry, 57, 2018
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3O64
 | | Crystal structure of catalytic domain of TACE with 2-(2-Aminothiazol-4-yl)pyrrolidine-Based Tartrate Diamides | | 分子名称: | (2R,3R)-2,3-dihydroxy-4-{(2R)-2-[2-(methylamino)-5-(methylsulfonyl)-1,3-thiazol-4-yl]pyrrolidin-1-yl}-4-oxo-N-{(1R)-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}butanamide, CALCIUM ION, ISOPROPYL ALCOHOL, ... | | 著者 | Orth, P. | | 登録日 | 2010-07-28 | | 公開日 | 2011-04-20 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | 2-(2-Aminothiazol-4-yl)pyrrolidine-based tartrate diamides as potent, selective and orally bioavailable TACE inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
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5TOT
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6H65
 | | Crystal structure of the branched-chain-amino-acid aminotransferase from Haliangium ochraceum | | 分子名称: | Branched-chain-amino-acid aminotransferase, PYRIDOXAL-5'-PHOSPHATE | | 著者 | Boyko, K.M, Timofeev, V.I, Bezsudnova, E.Y, Nikolaeva, A.Y, Rakitina, T.V, Popov, V.O. | | 登録日 | 2018-07-26 | | 公開日 | 2018-10-10 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Crystal structure of the branched-chain-amino-acid aminotransferase from Haliangium ochraceum
To Be Published
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8DS5
 | | X-ray structure of the MK5890 Fab - CD27 antibody-antigen complex | | 分子名称: | CADMIUM ION, CD27 antigen, MK-5890 Fab heavy chain, ... | | 著者 | Fischmann, T.O. | | 登録日 | 2022-07-21 | | 公開日 | 2022-09-28 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.926 Å) | | 主引用文献 | Preclinical characterization and clinical translation of pharmacodynamic markers for MK-5890: a human CD27 activating antibody for cancer immunotherapy.
J Immunother Cancer, 10, 2022
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6PU7
 | | Human IDO1 in complex with compound 17 (N-{2-[(4-{N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5-trien-7-yl]-N'-hydroxycarbamimidoyl}-1,2,5-oxadiazol-3-yl)sulfanyl]ethyl}acetamide) | | 分子名称: | Indoleamine 2,3-dioxygenase 1, N-{2-[(4-{N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5-trien-7-yl]-N'-hydroxycarbamimidoyl}-1,2,5-oxadiazol-3-yl)sulfanyl]ethyl}acetamide, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Lesburg, C.A. | | 登録日 | 2019-07-17 | | 公開日 | 2019-12-04 | | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | | 主引用文献 | Discovery of Amino-cyclobutarene-derived Indoleamine-2,3-dioxygenase 1 (IDO1) Inhibitors for Cancer Immunotherapy.
Acs Med.Chem.Lett., 10, 2019
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6UE0
 | | Crystal structure of dihydrodipicolinate synthase from Klebsiella pneumoniae bound to pyruvate | | 分子名称: | 4-hydroxy-tetrahydrodipicolinate synthase, CHLORIDE ION, SULFATE ION | | 著者 | Impey, R.E, Lee, M, Hawkins, D.A, Sutton, J.M, Panjikar, S, Perugini, M.A, Soares da Costa, T.P. | | 登録日 | 2019-09-20 | | 公開日 | 2020-02-05 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.892 Å) | | 主引用文献 | Mis-annotations of a promising antibiotic target in high-priority gram-negative pathogens.
Febs Lett., 594, 2020
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6H5B
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6WNU
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6WNI
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5MY4
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5MYK
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5MYO
 | | Structure of Pyroglutamate-Abeta-specific Fab c#6 in complex with human Abeta-pE3-12-PEGb | | 分子名称: | Amyloid beta A4 protein, Fab c#6 heavy chain, Fab c#6 light chain, ... | | 著者 | Parthier, C, Piechotta, A, Stubbs, M.T. | | 登録日 | 2017-01-27 | | 公開日 | 2017-06-28 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Structural and functional analyses of pyroglutamate-amyloid-beta-specific antibodies as a basis for Alzheimer immunotherapy.
J. Biol. Chem., 292, 2017
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4JEX
 | | Y21K mutant of N-acetylornithine aminotransferase complexed with L-canaline | | 分子名称: | (2S)-2-azanyl-4-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]oxy-butanoic acid, 1,2-ETHANEDIOL, ACETATE ION, ... | | 著者 | Bisht, S, Bharath, S.R, Murthy, M.R.N. | | 登録日 | 2013-02-27 | | 公開日 | 2014-03-26 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | Conformational transitions, ligand specificity and catalysis in N-acetylornithine aminotransferase: Implications on drug designing and rational enzyme engineering in omega aminotransferases
To be Published
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4JEZ
 | | N79R mutant of N-acetylornithine aminotransferase complexed with L-canaline | | 分子名称: | (2S)-2-azanyl-4-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]oxy-butanoic acid, 1,2-ETHANEDIOL, ACETATE ION, ... | | 著者 | Bisht, S, Bharath, S.R, Murthy, M.R.N. | | 登録日 | 2013-02-27 | | 公開日 | 2014-03-26 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Conformational transitions, ligand specificity and catalysis in N-acetylornithine aminotransferase: Implications on drug designing and rational enzyme engineering in omega aminotransferases
To be Published
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6XR0
 | | Crystal Structure of Human Melanotransferrin in complex with SC57.32 Fab | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BICARBONATE ION, ... | | 著者 | Hayashi, K, Longenecker, K.L, Vivona, S. | | 登録日 | 2020-07-10 | | 公開日 | 2021-01-20 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.064 Å) | | 主引用文献 | Complex of human Melanotransferrin and SC57.32 Fab fragment reveals novel interdomain arrangement with ferric N-lobe and open C-lobe.
Sci Rep, 11, 2021
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