4D1S
 
 | | Pyrrole-3-carboxamides as potent and selective JAK2 inhibitors | | 分子名称: | 2-(5-chloro-2-methylphenyl)-1-methyl-5-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1H-pyrrole-3-carboxamide, TYROSINE-PROTEIN KINASE JAK2 | | 著者 | Bertrand, J, Canevari, G, Fasolini, M, Brasca, M.G, Nesi, M, Avanzi, N, Ballinari, D, Bandiera, T, Bindi, S, Carenzi, D, Casero, D, Ceriani, L, Ciomei, M, Cirla, A, Colombo, M, Cribioli, S, Cristiani, C, Della Vedova, F, Fachin, G, Felder, E.R, Galvani, A, Isacchi, A, Mirizzi, D, Motto, I, Panzeri, A, Pesenti, E, Vianello, P, Gnocchi, P, Donati, D. | | 登録日 | 2014-05-05 | | 公開日 | 2014-07-23 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | Pyrrole-3-Carboxamides as Potent and Selective Jak2 Inhibitors.
Bioorg.Med.Chem., 22, 2014
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4D0X
 | | Pyrrole-3-carboxamides as potent and selective JAK2 inhibitors | | 分子名称: | 5-(2-aminopyrimidin-4-yl)-2-[2-chloro-5-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide, GLYCEROL, TYROSINE-PROTEIN KINASE JAK2 | | 著者 | Canevari, G, Fasolini, M, Bertrand, J, Brasca, M.G, Nesi, M, Avanzi, N, Ballinari, D, Bandiera, T, Bindi, S, Carenzi, D, Casero, D, Ceriani, L, Ciomei, M, Cirla, A, Colombo, M, Cribioli, S, Cristiani, C, Della Vedova, F, Fachin, G, Felder, E.R, Galvani, A, Isacchi, A, Mirizzi, D, Motto, I, Panzeri, A, Pesenti, E, Vianello, P, Gnocchi, P, Donati, D. | | 登録日 | 2014-04-30 | | 公開日 | 2014-07-23 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Pyrrole-3-Carboxamides as Potent and Selective Jak2 Inhibitors.
Bioorg.Med.Chem., 22, 2014
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5IIP
 | | Staphylococcus aureus OpuCA | | 分子名称: | Glycine betaine/carnitine/choline ABC transporter%2C ATP-binding protein%2C putative | | 著者 | Tosi, T, Campeotto, I, Freemont, P.S, Grundling, A. | | 登録日 | 2016-03-01 | | 公開日 | 2016-08-24 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | The second messenger c-di-AMP inhibits the osmolyte uptake system OpuC in Staphylococcus aureus.
Sci.Signal., 9, 2016
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5AEP
 | | Novel pyrrole carboxamide inhibitors of JAK2 as potential treatment of myeloproliferative disorders | | 分子名称: | 1-(5-chloro-2-methylphenyl)-4-(pyrrolo[2,1-f][1,2,4]triazin-4-yl)-1H-pyrrole-2-carboxamide, TYROSINE-PROTEIN KINASE JAK2 | | 著者 | Canevari, G, Bertrand, J, Brasca, M.G, Nesi, M, Amboldi, N, Avanzi, N, Bindi, S, Casero, D, Ciomei, M, Colombo, N, Cribioli, S, Fachin, G, Felder, E.R, Galvani, A, Isacchi, A, Motto, I, Panzeri, A, Gnocchi, P, Donati, D. | | 登録日 | 2015-01-08 | | 公開日 | 2015-04-29 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Novel Pyrrole Carboxamide Inhibitors of Jak2 as Potential Treatment of Myeloproliferative Disorders.
Bioorg.Med.Chem., 23, 2015
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6FT8
 | | Crystal structure of CLK1 in complex with inhibitor 8g | | 分子名称: | 1,2-ETHANEDIOL, 3-(3-hydroxyphenyl)-1~{H}-pyrrolo[3,4-g]indol-8-one, CHLORIDE ION, ... | | 著者 | Chaikuad, A, Walter, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Kunick, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2018-02-20 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Molecular structures of cdc2-like kinases in complex with a new inhibitor chemotype.
PLoS ONE, 13, 2018
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6FT9
 | | Crystal structure of CLK1 in complex with inhibitor 16 | | 分子名称: | 2-bromanyl-3-phenyl-1~{H}-pyrrolo[3,4-g]indol-8-one, BROMIDE ION, Dual specificity protein kinase CLK1, ... | | 著者 | Chaikuad, A, Walter, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Kunick, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2018-02-20 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Molecular structures of cdc2-like kinases in complex with a new inhibitor chemotype.
PLoS ONE, 13, 2018
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6FT7
 | | Crystal structure of CLK3 in complex with compound 8a | | 分子名称: | 1,2-ETHANEDIOL, 3-phenyl-1~{H}-pyrrolo[3,4-g]indol-8-one, Dual specificity protein kinase CLK3, ... | | 著者 | Chaikuad, A, Walter, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Kunick, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2018-02-20 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Molecular structures of cdc2-like kinases in complex with a new inhibitor chemotype.
PLoS ONE, 13, 2018
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8CIF
 | | Bovine naive ultralong antibody AbD08 collected at 293K | | 分子名称: | Heavy chain, Light chain | | 著者 | Clarke, J.D, Mikolajek, H, Stuart, D.I, Owens, R.J. | | 登録日 | 2023-02-09 | | 公開日 | 2023-05-24 | | 最終更新日 | 2023-07-19 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Protein-to-structure pipeline for ambient-temperature in situ crystallography at VMXi.
Iucrj, 10, 2023
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6TKB
 | | ChiLob 7/4 H2 HC-C224S F(ab')2 | | 分子名称: | Chilob 7/4 H2 heavy chain C224S, Chilob 7/4 H2 kappa chain | | 著者 | Orr, C.M, Fisher, H, Tews, I. | | 登録日 | 2019-11-28 | | 公開日 | 2021-06-09 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Hinge disulfides in human IgG2 CD40 antibodies modulate receptor signaling by regulation of conformation and flexibility.
Sci Immunol, 7, 2022
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6TKD
 | | ChiLob 7/4 H2 HC-C228S F(ab')2 | | 分子名称: | Chilob 7/4 H2 heavy chain C228S, Chilob 7/4 H2 kappa chain | | 著者 | Orr, C.M, Fisher, H, Tews, I. | | 登録日 | 2019-11-28 | | 公開日 | 2021-06-09 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Hinge disulfides in human IgG2 CD40 antibodies modulate receptor signaling by regulation of conformation and flexibility.
Sci Immunol, 7, 2022
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6TKE
 | | ChiLob 7/4 H2 HC-C224S Kappa LC-C214S F(ab')2 | | 分子名称: | ChiLob 7/4 H2 heavy chain C224S, ChiLob 7/4 H2 kappa chain C214S | | 著者 | Orr, C.M, Fisher, H, Tews, I. | | 登録日 | 2019-11-28 | | 公開日 | 2021-06-09 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Hinge disulfides in human IgG2 CD40 antibodies modulate receptor signaling by regulation of conformation and flexibility.
Sci Immunol, 7, 2022
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6TKF
 | | ChiLob 7/4 H2 HC-C225S KappaLC-C214S F(ab')2 | | 分子名称: | ChiLob 7/4 H2 Heavy chain C225S, ChiLob 7/4 H2 Kappa light chain C214S | | 著者 | Orr, C.M, Fisher, H, Tews, I. | | 登録日 | 2019-11-28 | | 公開日 | 2021-06-09 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | | 主引用文献 | Hinge disulfides in human IgG2 CD40 antibodies modulate receptor signaling by regulation of conformation and flexibility.
Sci Immunol, 7, 2022
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6TKC
 | | ChiLob 7/4 H2 HC-C225S F(ab')2 | | 分子名称: | Chilob 7/4 H2 heavy chain C225S, Chilob 7/4 H2 kappa chain | | 著者 | Orr, C.M, Fisher, H, Tews, I. | | 登録日 | 2019-11-28 | | 公開日 | 2021-06-09 | | 最終更新日 | 2022-12-21 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Hinge disulfides in human IgG2 CD40 antibodies modulate receptor signaling by regulation of conformation and flexibility.
Sci Immunol, 7, 2022
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7ZCK
 | | Room temperature crystal structure of PhnD from Synechococcus MITS9220 in complex with phosphate | | 分子名称: | CHLORIDE ION, PHOSPHATE ION, Phosphonate ABC type transporter/ substrate binding component | | 著者 | Mikolajek, H, Shah, B.S, Paulsen, I.T, Sandy, J, Sanchez-Weatherby, J. | | 登録日 | 2022-03-28 | | 公開日 | 2022-05-04 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Protein-to-structure pipeline for ambient-temperature in situ crystallography at VMXi.
Iucrj, 10, 2023
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6FX5
 | | MITF dimerization mutant | | 分子名称: | Microphthalmia-associated transcription factor, SULFATE ION | | 著者 | Pogenberg, V, Milewski, M, Wilmanns, M. | | 登録日 | 2018-03-08 | | 公開日 | 2019-03-20 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Mechanism of conditional partner selectivity in MITF/TFE family transcription factors with a conserved coiled coil stammer motif.
Nucleic Acids Res., 48, 2020
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8RRQ
 | | Crystal structure of human SYK in complex with compound 24 | | 分子名称: | GLYCEROL, N-[(1S,2R)-2-azanylcyclohexyl]-5-[2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl]-2-methyl-pyrazole-3-carboxamide, Tyrosine-protein kinase SYK | | 著者 | Canevari, G. | | 登録日 | 2024-01-23 | | 公開日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Discovery and optimization of 4-pyrazolyl-2-aminopyrimidine derivatives as potent spleen tyrosine kinase (SYK) inhibitors.
Eur.J.Med.Chem., 270, 2024
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8RRZ
 | | Crystal structure of SYK kinase in complex with compound 1 | | 分子名称: | GLYCEROL, N-[(2S)-1-(azetidin-1-yl)propan-2-yl]-3-{2-[(3,5-dimethoxyphenyl)amino]pyrimidin-4-yl}-1-methyl-1H-pyrazole-5-carboxamide, Tyrosine-protein kinase SYK | | 著者 | Canevari, G. | | 登録日 | 2024-01-24 | | 公開日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Discovery and optimization of 4-pyrazolyl-2-aminopyrimidine derivatives as potent spleen tyrosine kinase (SYK) inhibitors.
Eur.J.Med.Chem., 270, 2024
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3G08
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8FLN
 | | Crystal structure of BTK C481S kinase domain in complex with pirtobrutinib | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, SULFATE ION, ... | | 著者 | Cedervall, E.P, Morales, T.H, Allerston, C.K. | | 登録日 | 2022-12-21 | | 公開日 | 2023-03-01 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.334 Å) | | 主引用文献 | Preclinical characterization of pirtobrutinib, a highly selective, noncovalent (reversible) BTK inhibitor.
Blood, 142, 2023
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8FLL
 | | Crystal structure of BTK kinase domain in complex with pirtobrutinib | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, SULFATE ION, ... | | 著者 | Cedervall, E.P, Morales, T.H, Allerston, C.K. | | 登録日 | 2022-12-21 | | 公開日 | 2023-03-01 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.498 Å) | | 主引用文献 | Preclinical characterization of pirtobrutinib, a highly selective, noncovalent (reversible) BTK inhibitor.
Blood, 142, 2023
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6RVO
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6SEL
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6RZP
 | | Multicrystal structure of Proteinase K at room temperature using a multilayer monochromator. | | 分子名称: | CALCIUM ION, CHLORIDE ION, GLYCEROL, ... | | 著者 | Sandy, J, Sandy, E, Sanchez-Weatherby, J, Mikolajek, H. | | 登録日 | 2019-06-13 | | 公開日 | 2019-07-17 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Protein-to-structure pipeline for ambient-temperature crystallography at VMXi
Iucrj, 2023
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6SVA
 | | Multicrystal structure of equine Haemoglobin at room temperature using a multilayer monochromator. | | 分子名称: | Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Sandy, J, Sanchez-Weatherby, J, Mikolajek, H, Lewis, G, Angus, R. | | 登録日 | 2019-09-18 | | 公開日 | 2019-11-20 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Protein-to-structure pipeline for ambient-temperature crystallography at VMXi
Iucrj, 2023
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8A9D
 | | Multicrystal room temperature structure of Lysozyme collected using a double multilayer monochromator. | | 分子名称: | Lysozyme, SODIUM ION | | 著者 | Sandy, J, Cheruvara, H, Mikolajek, H, Sanchez-Weatherby, J. | | 登録日 | 2022-06-28 | | 公開日 | 2022-07-20 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Protein-to-structure pipeline for ambient-temperature in situ crystallography at VMXi.
Iucrj, 10, 2023
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