5ARB
 
 | | Cooperative bio-metallic selectivity in a tailored protease enables creation of a C-C cross-coupling Heckase | | 分子名称: | 5-methyl-2-(5-methylpyridin-2-yl)pyridine, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Sharma, M, Diaz-Rodriguez, A, Offen, W.A, Palm-Espling, M.E, Pordea, A, Wormald, M.R, Mcdonough, M, Davies, G.J, Davis, B.G. | | 登録日 | 2015-09-24 | | 公開日 | 2016-09-14 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | | 主引用文献 | Cooperative Bio-Metallic Selectivity in a Tailored Protease Enables Creation of a C-C Cross-Coupling Heckase
To be Published
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5B2W
 | | Crystal Structure of P450BM3 with N-perfluorododecanoyl-L-tryptophan | | 分子名称: | (2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosakis(fluoranyl)dodecanoylamino]propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Cong, Z, Shoji, O, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y. | | 登録日 | 2016-02-03 | | 公開日 | 2017-02-08 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Crystal Structure of P450BM3 with decoy molecules
to be published
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8P4J
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7AT5
 | | Structure of protein kinase ck2 catalytic subunit (csnk2a1 gene product) in complex with the bivalent inhibitor KN2 | | 分子名称: | 1,2-ETHANEDIOL, 2-(3,4-dichlorophenyl)ethanamine, Casein kinase II subunit alpha, ... | | 著者 | Lindenblatt, D, Applegate, V, Nickelsen, A, Klussmann, M, Neundorf, I, Goetz, C, Jose, J, Niefind, K. | | 登録日 | 2020-10-29 | | 公開日 | 2021-08-04 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Molecular Plasticity of Crystalline CK2 alpha ' Leads to KN2, a Bivalent Inhibitor of Protein Kinase CK2 with Extraordinary Selectivity.
J.Med.Chem., 65, 2022
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7ATV
 | | Structure of protein kinase ck2 catalytic subunit (csnk2a2 gene product) in complex with the bivalent inhibitor KN2 | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Casein kinase II subunit alpha', ... | | 著者 | Lindenblatt, D, Applegate, V, Nickelsen, A, Klussmann, M, Neundorf, I, Goetz, C, Jose, J, Niefind, K. | | 登録日 | 2020-10-31 | | 公開日 | 2021-08-04 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (0.98 Å) | | 主引用文献 | Molecular Plasticity of Crystalline CK2 alpha ' Leads to KN2, a Bivalent Inhibitor of Protein Kinase CK2 with Extraordinary Selectivity.
J.Med.Chem., 65, 2022
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7AT9
 | | Structure of protein kinase ck2 catalytic subunit (csnk2a2 gene product) in complex with the ATP-competitive inhibitor MB002 and the alphaD-pocket ligand 3,4-dichlorophenethylamine | | 分子名称: | 1,2-ETHANEDIOL, 2-(3,4-dichlorophenyl)ethanamine, 3-(4,5,6,7-tetrabromo-1H-benzotriazol-1-yl)propan-1-ol, ... | | 著者 | Lindenblatt, D, Applegate, V, Nickelsen, A, Klussmann, M, Neundorf, I, Goetz, C, Jose, J, Niefind, K. | | 登録日 | 2020-10-29 | | 公開日 | 2021-08-04 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 主引用文献 | Molecular Plasticity of Crystalline CK2 alpha ' Leads to KN2, a Bivalent Inhibitor of Protein Kinase CK2 with Extraordinary Selectivity.
J.Med.Chem., 65, 2022
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5B5J
 | | Hen egg white lysozyme with boron tracedrug UTX-97 | | 分子名称: | 2-cyano-3-((6-(((2-((2-cyanoethyl)(borocaptate-10B)sulfonio)acetyl)carbamoyl)oxy)hexyl)amino)quinoxaline 1,4-dioxide, Lysozyme C, SODIUM ION | | 著者 | Morimoto, Y. | | 登録日 | 2016-05-11 | | 公開日 | 2017-06-28 | | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | | 主引用文献 | Structural Insight Into Protein Binding of Boron Tracedrug UTX-97 Revealed by the Co-Crystal Structure With Lysozyme at 1.26 angstrom Resolution.
J Pharm Sci, 105, 2016
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8OUL
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8OUM
 | | Arf GTPase from the asgard Gerdarchaea : GerdArfR1 bound to GTP | | 分子名称: | GTP-binding protein, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION | | 著者 | Menetrey, J, Jackson, C, Dacks, J.B, Elias, M, Vargova, R. | | 登録日 | 2023-04-24 | | 公開日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | | 主引用文献 | Arf Family GTPases are present in Asgard archaea
To Be Published
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5BOQ
 | | Human insulin with intra-chain chemical crosslink between modified B24 and B29 | | 分子名称: | Insulin, SULFATE ION | | 著者 | Brzozowski, A.M, Turkenburg, J.P, Jiracek, J, Zakova, L. | | 登録日 | 2015-05-27 | | 公開日 | 2016-02-03 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Rational steering of insulin binding specificity by intra-chain chemical crosslinking.
Sci Rep, 6, 2016
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8OUQ
 | | Clr-11 from Rattus norvegicus | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C-type lectin domain family 2 member D11 | | 著者 | Skalova, T, Blaha, J, Kalouskova, B, Skorepa, O, Vanek, O, Dohnalek, J. | | 登録日 | 2023-04-24 | | 公開日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Clr-11 from Rattus norvegicus
To Be Published
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7AP7
 | | Structure of the W64R amyloidogenic variant of human lysozyme | | 分子名称: | Lysozyme C, SULFATE ION | | 著者 | Vettore, N, Herman, R, Kerff, F, Charlier, P, Sauvage, E, Brans, A, Morray, J, Dobson, C, Kumita, J, Dumoulin, M. | | 登録日 | 2020-10-16 | | 公開日 | 2021-08-25 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | | 主引用文献 | Characterisation of the structural, dynamic and aggregation properties of the W64R amyloidogenic variant of human lysozyme.
Biophys.Chem., 271, 2021
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8OUN
 | | Arf GTPase from the asgard Gerdarchaea : GerdArfR1 bound to GDP | | 分子名称: | GTP-binding protein, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | | 著者 | Menetrey, J, Jackson, C, Dacks, J.B, Elias, M, Vargova, R. | | 登録日 | 2023-04-24 | | 公開日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.653 Å) | | 主引用文献 | Arf Family GTPases are present in Asgard archaea
To Be Published
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8OUK
 | | Arf GTPase from the asgard Hodarchaea : HodArfR1 bound to GTP | | 分子名称: | Arf GTPase, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION | | 著者 | Menetrey, J, Jackson, C, Dacks, J, Elias, M, Vargova, R. | | 登録日 | 2023-04-23 | | 公開日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Arf Family GTPases are present in Asgard archaea
To Be Published
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5BQB
 | | Crystal structure of Norrin, a Wnt signalling activator, Crystal Form III | | 分子名称: | CHLORIDE ION, CITRIC ACID, Norrin | | 著者 | Chang, T.-H, Hsieh, F.-L, Harlos, K, Jones, E.Y. | | 登録日 | 2015-05-28 | | 公開日 | 2015-07-01 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure and functional properties of Norrin mimic Wnt for signalling with Frizzled4, Lrp5/6, and proteoglycan.
Elife, 4, 2015
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8OSO
 | | GTPase HRAS in complex with Zn-cyclen under 500 MPa pressure | | 分子名称: | 1,4,7,10-tetraazacyclododecane, GTPase HRas, MAGNESIUM ION, ... | | 著者 | Colloc'h, N, Prange, T, Girard, E, Kalbitzer, H.R. | | 登録日 | 2023-04-19 | | 公開日 | 2024-05-08 | | 最終更新日 | 2024-07-03 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | High Pressure Promotes Binding of the Allosteric Inhibitor Zn 2+ -Cyclen in Crystals of Activated H-Ras.
Chemistry, 30, 2024
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8OSM
 | | GTPASE HRAS IN COMPLEX WITH ZN-CYCLEN AT 200 MPA PRESSURE | | 分子名称: | GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | 著者 | Colloc'h, N, Girard, E, Prange, T, Kalbitzer, H.R. | | 登録日 | 2023-04-19 | | 公開日 | 2024-05-08 | | 最終更新日 | 2024-07-03 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | High Pressure Promotes Binding of the Allosteric Inhibitor Zn 2+ -Cyclen in Crystals of Activated H-Ras.
Chemistry, 30, 2024
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8OSN
 | | GTPASE HRAS IN COMPLEX WITH ZN-CYCLEN AT AMBIENT PRESSURE | | 分子名称: | GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | 著者 | Colloc'h, N, Prange, T, Girard, E, Kalbitzer, H.R. | | 登録日 | 2023-04-19 | | 公開日 | 2024-05-08 | | 最終更新日 | 2024-07-03 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | High Pressure Promotes Binding of the Allosteric Inhibitor Zn 2+ -Cyclen in Crystals of Activated H-Ras.
Chemistry, 30, 2024
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5B85
 | | X-ray structure of ferric F138Y sperm whale myoglobin | | 分子名称: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Yuan, H. | | 登録日 | 2016-06-12 | | 公開日 | 2016-08-10 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Distinct roles of a tyrosine-associated hydrogen-bond network in fine-tuning the structure and function of heme proteins: two cases designed for myoglobin
Mol Biosyst, 12, 2016
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7B2T
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5BUE
 | | ERK2 complexed with N-benzylpyridone tetrahydroazaindazole | | 分子名称: | 1-benzyl-4-[3-(pyridin-4-yl)-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]pyridin-2(1H)-one, Mitogen-activated protein kinase 1, NICKEL (II) ION | | 著者 | Bellamacina, C.R, Shu, W, Bussiere, D.E, Bagdanoff, J.T. | | 登録日 | 2015-06-03 | | 公開日 | 2015-07-15 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Ligand efficient tetrahydro-pyrazolopyridines as inhibitors of ERK2 kinase.
Bioorg.Med.Chem.Lett., 25, 2015
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7AUV
 | | The structure of ERK2 in complex with dual inhibitor ASTX029 | | 分子名称: | (2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(3-fluoranyl-5-methoxy-phenyl)-2-oxidanyl-ethyl]propanamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... | | 著者 | O'Reilly, M. | | 登録日 | 2020-11-03 | | 公開日 | 2021-10-06 | | 最終更新日 | 2021-10-13 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | ASTX029, a Novel Dual-mechanism ERK Inhibitor, Modulates Both the Phosphorylation and Catalytic Activity of ERK.
Mol.Cancer Ther., 20, 2021
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8P7G
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5BPN
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8P5L
 | | Kinase domain of mutant human ULK1 in complex with compound MRT67307 | | 分子名称: | MAGNESIUM ION, N-{3-[(5-cyclopropyl-2-{[3-(morpholin-4-ylmethyl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide, Serine/threonine-protein kinase ULK1 | | 著者 | Battista, T, Semrau, M.S, Heroux, A, Lolli, G, Storici, P. | | 登録日 | 2023-05-24 | | 公開日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (1.836 Å) | | 主引用文献 | Crystal structures of ULK1 in complex with KCGS compounds
To Be Published
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