5VEB
 
 | | Crystal structure of a Fab binding to extracellular domain 5 of Cadherin-6 | | 分子名称: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, Cadherin-6, anti-CDH6 Fab heavy chain, ... | | 著者 | Zhu, X, Bialucha, C.U, London, A, Clark, K, Hu, T. | | 登録日 | 2017-04-04 | | 公開日 | 2017-06-07 | | 最終更新日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | | 主引用文献 | Discovery and Optimization of HKT288, a Cadherin-6-Targeting ADC for the Treatment of Ovarian and Renal Cancers.
Cancer Discov, 7, 2017
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7K04
 | | Structure of TFIIH/Rad4-Rad23-Rad33/DNA in DNA opening | | 分子名称: | CALCIUM ION, DNA repair helicase RAD25, DNA repair helicase RAD3, ... | | 著者 | van Eeuwen, T, Min, J.H, Murakami, K. | | 登録日 | 2020-09-03 | | 公開日 | 2021-07-28 | | 実験手法 | ELECTRON MICROSCOPY (9.25 Å) | | 主引用文献 | Cryo-EM structure of TFIIH/Rad4-Rad23-Rad33 in damaged DNA opening in nucleotide excision repair.
Nat Commun, 12, 2021
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7K01
 | | Structure of TFIIH in TFIIH/Rad4-Rad23-Rad33 DNA opening complex | | 分子名称: | DNA repair helicase RAD25, DNA repair helicase RAD3, General transcription and DNA repair factor IIH subunit SSL1, ... | | 著者 | van Eeuwen, T, Min, J.H, Murakami, K. | | 登録日 | 2020-09-02 | | 公開日 | 2021-07-28 | | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | | 主引用文献 | Cryo-EM structure of TFIIH/Rad4-Rad23-Rad33 in damaged DNA opening in nucleotide excision repair.
Nat Commun, 12, 2021
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6UIN
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6UG1
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7YV1
 | | Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor LUNA18 and KA30L Fab | | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, KA30L Fab H-chain, ... | | 著者 | Irie, M, Fukami, T.A, Matsuo, A, Saka, K, Nishimura, M, Saito, H, Torizawa, T, Tanada, M, Ohta, A. | | 登録日 | 2022-08-18 | | 公開日 | 2023-07-26 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.454 Å) | | 主引用文献 | 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 | | 分子名称: | AP8784, GUANOSINE-5'-DIPHOSPHATE, IODIDE ION, ... | | 著者 | Irie, M, Fukami, T.A, Tanada, M, Ohta, A, Torizawa, T. | | 登録日 | 2022-08-18 | | 公開日 | 2023-07-26 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.878 Å) | | 主引用文献 | 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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8DOX
 | | Crystal structure of SARS-CoV-2 main protease in complex with an inhibitor TKB-245 | | 分子名称: | (1R,2S,5S)-N-{(1S,2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | | 著者 | Bulut, H, Hayashi, H, Tsuji, K, Kuwata, N, Das, D, Tamamura, H, Mitsuya, H. | | 登録日 | 2022-07-14 | | 公開日 | 2022-09-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | Identification of SARS-CoV-2 M pro inhibitors containing P1' 4-fluorobenzothiazole moiety highly active against SARS-CoV-2.
Nat Commun, 14, 2023
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8DPR
 | | Crystal structure of SARS-CoV-2 main protease in complex with inhibitor TKB-248 | | 分子名称: | 2,2,2-trifluoro-N-{(2S)-1-[(1R,2S,5S)-2-({(2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamothioyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl}acetamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ... | | 著者 | Bulut, H, Hayashi, H, Tsuji, K, Kuwata, N, Das, D, Tamamura, H, Mitsuya, H. | | 登録日 | 2022-07-16 | | 公開日 | 2022-08-24 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Identification of SARS-CoV-2 M pro inhibitors containing P1' 4-fluorobenzothiazole moiety highly active against SARS-CoV-2.
Nat Commun, 14, 2023
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1IX3
 | | Crystal Structure of Rat Heme Oxygenase-1 in complex with Heme bound to Cyanide | | 分子名称: | CYANIDE ION, HEME OXYGENASE-1, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Sugishima, M, Sakamoto, H, Omata, Y, Hayashi, S, Noguchi, M, Fukuyama, K. | | 登録日 | 2002-06-10 | | 公開日 | 2003-09-02 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal Structures of Ferrous and CO-, CN(-)-, and NO-Bound Forms of Rat Heme Oxygenase-1 (HO-1) in Complex with Heme: Structural Implications for Discrimination between CO and O(2) in HO-1.
Biochemistry, 42, 2003
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1ISR
 | | Crystal Structure of Metabotropic Glutamate Receptor Subtype 1 Complexed with Glutamate and Gadolinium Ion | | 分子名称: | GADOLINIUM ATOM, GLUTAMIC ACID, Metabotropic Glutamate Receptor subtype 1 | | 著者 | Tsuchiya, D, Kunishima, N, Kamiya, N, Jingami, H, Morikawa, K. | | 登録日 | 2001-12-21 | | 公開日 | 2002-03-13 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (4 Å) | | 主引用文献 | Structural views of the ligand-binding cores of a metabotropic glutamate receptor complexed with an antagonist and both glutamate and Gd3+.
Proc.Natl.Acad.Sci.USA, 99, 2002
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1ISS
 | | Crystal Structure of Metabotropic Glutamate Receptor Subtype 1 Complexed with an antagonist | | 分子名称: | (S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE, Metabotropic Glutamate Receptor subtype 1 | | 著者 | Tsuchiya, D, Kunishima, N, Kamiya, N, Jingami, H, Morikawa, K. | | 登録日 | 2001-12-21 | | 公開日 | 2002-03-13 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Structural views of the ligand-binding cores of a metabotropic glutamate receptor complexed with an antagonist and both glutamate and Gd3+.
Proc.Natl.Acad.Sci.USA, 99, 2002
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1IDZ
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1IDY
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1RFP
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1KXX
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1KXY
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1KXW
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3ORN
 | | Mitogen-activated protein kinase kinase 1 (MEK1) in complex with CH4987655 and MgAMP-PNP | | 分子名称: | 3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-5-[(3-oxo-1,2-oxazinan-2-yl)methyl]benzamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | | 著者 | Lukacs, C.M, Janson, C, Schuck, V, Belunis, C. | | 登録日 | 2010-09-07 | | 公開日 | 2011-03-02 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Design and synthesis of novel allosteric MEK inhibitor CH4987655 as an orally available anticancer agent.
Bioorg.Med.Chem.Lett., 21, 2011
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3OS3
 | | Mitogen-activated protein kinase kinase 1 (MEK1) in complex with CH4858061 and MgATP | | 分子名称: | 2-[(4-ethynyl-2-fluorophenyl)amino]-3,4-difluoro-N-(2-hydroxyethoxy)-5-{[(2-hydroxyethoxy)imino]methyl}benzamide, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ... | | 著者 | Lukacs, C.M, Janson, C, Schuck, V, Belunis, C. | | 登録日 | 2010-09-08 | | 公開日 | 2011-07-27 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Design and synthesis of novel allosteric MEK inhibitor CH4987655 as an orally available anticancer agent.
Bioorg.Med.Chem.Lett., 21, 2011
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2ZNP
 | | Human PPAR delta ligand binding domain in complex with a synthetic agonist TIPP204 | | 分子名称: | (2S)-2-{4-butoxy-3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid, Peroxisome proliferator-activated receptor delta, heptyl beta-D-glucopyranoside | | 著者 | Oyama, T, Hirakawa, Y, Nagasawa, N, Miyachi, H, Morikawa, K. | | 登録日 | 2008-04-30 | | 公開日 | 2009-05-05 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Adaptability and selectivity of human peroxisome proliferator-activated receptor (PPAR) pan agonists revealed from crystal structures
Acta Crystallogr.,Sect.D, 65, 2009
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2ZNO
 | | Human PPAR gamma ligand binding domain in complex with a synthetic agonist TIPP703 | | 分子名称: | (2S)-2-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}benzyl)butanoic acid, Peroxisome proliferator-activated receptor gamma | | 著者 | Oyama, T, Waku, T, Kasuga, J, Miyachi, H, Morikawa, K. | | 登録日 | 2008-04-30 | | 公開日 | 2009-05-05 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Adaptability and selectivity of human peroxisome proliferator-activated receptor (PPAR) pan agonists revealed from crystal structures
Acta Crystallogr.,Sect.D, 65, 2009
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2ZNQ
 | | Human PPAR delta ligand binding domain in complex with a synthetic agonist TIPP401 | | 分子名称: | (2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-4-methoxybenzyl}butanoic acid, Peroxisome proliferator-activated receptor delta, heptyl beta-D-glucopyranoside | | 著者 | Oyama, T, Hirakawa, Y, Nagasawa, N, Miyachi, H, Morikawa, K. | | 登録日 | 2008-04-30 | | 公開日 | 2009-05-05 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Adaptability and selectivity of human peroxisome proliferator-activated receptor (PPAR) pan agonists revealed from crystal structures
Acta Crystallogr.,Sect.D, 65, 2009
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2ZNN
 | | Human PPAR alpha ligand binding domain in complex with a synthetic agonist TIPP703 | | 分子名称: | (2S)-2-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}benzyl)butanoic acid, Peroxisome proliferator-activated receptor alpha | | 著者 | Oyama, T, Toyota, K, Kasuga, J, Miyachi, H, Morikawa, K. | | 登録日 | 2008-04-30 | | 公開日 | 2009-05-05 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Adaptability and selectivity of human peroxisome proliferator-activated receptor (PPAR) pan agonists revealed from crystal structures
Acta Crystallogr.,Sect.D, 65, 2009
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1J12
 | | Beta-Amylase from Bacillus cereus var. mycoides in Complex with alpha-EBG | | 分子名称: | 2-[(2S)-oxiran-2-yl]ethyl alpha-D-glucopyranoside, Beta-amylase, CALCIUM ION | | 著者 | Oyama, T, Miyake, H, Kusunoki, M, Nitta, Y. | | 登録日 | 2002-11-25 | | 公開日 | 2003-06-17 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystal Structures of beta-Amylase from Bacillus cereus var. mycoides in Complexes with Substrate Analogs and Affinity-Labeling Reagents
J.BIOCHEM.(TOKYO), 133, 2003
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