8SLB
 
 | | X-ray structure of CorA N-terminal domain in complex with conformation-specific synthetic antibody C12 | | 分子名称: | CHLORIDE ION, Cobalt/magnesium transport protein CorA, sAB C12 Heavy Chain, ... | | 著者 | Dominik, P.K, Erramilli, S.K, Reddy, B.G, Kossiakoff, A.A. | | 登録日 | 2023-04-21 | | 公開日 | 2023-06-07 | | 最終更新日 | 2023-07-26 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Conformation-specific Synthetic Antibodies Discriminate Multiple Functional States of the Ion Channel CorA.
J.Mol.Biol., 435, 2023
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6JJ7
 | | Crystal structure of OsHXK6-Glc complex | | 分子名称: | Rice hexokinase 6, beta-D-glucopyranose | | 著者 | He, C, Wei, P, Chen, J, Wang, H, Wan, Y, Zhou, J, Zhu, Y, Huang, W, Yin, L. | | 登録日 | 2019-02-25 | | 公開日 | 2019-07-03 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Crystal structure of OsHXK6-Glc complex
To Be Published
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6C7T
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8SRZ
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8AO4
 | | Specific covalent inhibitor (5) of ERK2 | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Mitogen-activated protein kinase 1, ... | | 著者 | Cleasby, A. | | 登録日 | 2022-08-08 | | 公開日 | 2022-09-28 | | 最終更新日 | 2022-10-05 | | 実験手法 | X-RAY DIFFRACTION (1.825 Å) | | 主引用文献 | X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor.
J.Med.Chem., 65, 2022
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6YIF
 | | Structure of Chromosomal Passenger Complex (CPC) bound to phosphorylated Histone 3 peptide at 1.8 A. | | 分子名称: | Baculoviral IAP repeat-containing protein 5, Borealin, Inner centromere protein, ... | | 著者 | Serena, M, Elliott, P.R, Barr, F.A. | | 登録日 | 2020-04-01 | | 公開日 | 2020-05-13 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Molecular basis of MKLP2-dependent Aurora B transport from chromatin to the anaphase central spindle.
J.Cell Biol., 219, 2020
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6Q26
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6F0J
 | | GLIC mutant E26A | | 分子名称: | ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | | 著者 | Hu, H.D, Delarue, M. | | 登録日 | 2017-11-20 | | 公開日 | 2018-01-10 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | | 主引用文献 | Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel.
PLoS Biol., 15, 2017
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6C83
 | | Structure of Aurora A (122-403) bound to inhibitory Monobody Mb2 and AMPPCP | | 分子名称: | Aurora kinase A, Mb2 Monobody, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | | 著者 | Hoemberger, M, Kutter, S, Zorba, A, Nguyen, V, Shohei, A, Shohei, K, Kern, D. | | 登録日 | 2018-01-24 | | 公開日 | 2019-02-27 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Allosteric modulation of a human protein kinase with monobodies.
Proc.Natl.Acad.Sci.USA, 116, 2019
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8SNG
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6YQP
 | | Crystal structure of the first bromodomain of human BRD4 in complex with the dual inhibitor TW22 | | 分子名称: | (~{E})-3-[4-[[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6 ),4,7,10,12-pentaen-9-yl]ethanoylamino]methyl]phenyl]-~{N}-oxidanyl-prop-2-enamide, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | | 著者 | Joerger, A.C, Balourdas, D.I, Weiser, T, Chatterjee, D, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2020-04-17 | | 公開日 | 2020-05-27 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Characterization of a dual BET/HDAC inhibitor for treatment of pancreatic ductal adenocarcinoma.
Int.J.Cancer, 147, 2020
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7KLD
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6F13
 | | GLIC mutant E75A | | 分子名称: | ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | | 著者 | Hu, H.D, Delarue, M. | | 登録日 | 2017-11-21 | | 公開日 | 2018-01-10 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel.
PLoS Biol., 15, 2017
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6FD5
 | | Crystal Structure of Human APRT-Tyr105Phe variant in complex with Adenine, PRPP and Mg2+, 14 days post crystallization (with AMP and PPi products partially generated) | | 分子名称: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, ADENOSINE MONOPHOSPHATE, Adenine phosphoribosyltransferase, ... | | 著者 | Nioche, P, Huyet, J, Ozeir, M. | | 登録日 | 2017-12-21 | | 公開日 | 2018-08-15 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Structural Insights into the Forward and Reverse Enzymatic Reactions in Human Adenine Phosphoribosyltransferase.
Cell Chem Biol, 25, 2018
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8AO3
 | | Specific covalent inhibitor of ERK2 | | 分子名称: | 2-chloranyl-~{N}-(1~{H}-indazol-5-ylmethyl)ethanamide, Mitogen-activated protein kinase 1, SULFATE ION | | 著者 | Cleasby, A. | | 登録日 | 2022-08-08 | | 公開日 | 2022-09-28 | | 最終更新日 | 2022-10-05 | | 実験手法 | X-RAY DIFFRACTION (1.778 Å) | | 主引用文献 | X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor.
J.Med.Chem., 65, 2022
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8AOJ
 | | Specific covalent inhibitor of ERK2 | | 分子名称: | 1,2-ETHANEDIOL, 1-[(2~{S})-2-(5-methyl-3-pyridin-4-yl-1~{H}-pyrazol-4-yl)pyrrolidin-1-yl]propan-1-one, DIMETHYL SULFOXIDE, ... | | 著者 | Cleasby, A. | | 登録日 | 2022-08-08 | | 公開日 | 2022-09-28 | | 最終更新日 | 2022-10-05 | | 実験手法 | X-RAY DIFFRACTION (1.12 Å) | | 主引用文献 | X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor.
J.Med.Chem., 65, 2022
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7Q6U
 | | Crystal structure of the bromodomain of ATAD2 with phenol HTS hit (cpd 6) | | 分子名称: | (1R,9S)-13-(3,5-dimethoxy-4-oxidanyl-phenyl)carbonyl-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one, ATPase family AAA domain-containing protein 2, SULFATE ION | | 著者 | Patel, S.J, Winter-Holt, J.J. | | 登録日 | 2021-11-09 | | 公開日 | 2022-01-19 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Discovery of a Potent and Selective ATAD2 Bromodomain Inhibitor with Antiproliferative Activity in Breast Cancer Models.
J.Med.Chem., 65, 2022
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6Q6V
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8AO9
 | | Specific covalent inhibitor(10) of ERK2 | | 分子名称: | 1,2-ETHANEDIOL, 1-(6,7-dihydro-4~{H}-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-one, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Cleasby, A. | | 登録日 | 2022-08-08 | | 公開日 | 2022-09-28 | | 最終更新日 | 2022-10-05 | | 実験手法 | X-RAY DIFFRACTION (1.624 Å) | | 主引用文献 | X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor.
J.Med.Chem., 65, 2022
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6BJU
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7Q6T
 | | Crystal structure of the bromodomain of ATAD2 with AZ13824374 | | 分子名称: | (1R,9S,12R)-13-[[8-[[1-(2-fluoranyl-2-methyl-propyl)piperidin-4-yl]amino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]carbonyl]-12-propan-2-yl-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one, ATPase family AAA domain-containing protein 2, SULFATE ION | | 著者 | Patel, S.J, Winter-Holt, J.J. | | 登録日 | 2021-11-09 | | 公開日 | 2022-01-19 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Discovery of a Potent and Selective ATAD2 Bromodomain Inhibitor with Antiproliferative Activity in Breast Cancer Models.
J.Med.Chem., 65, 2022
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8AOC
 | | Specific covalent inhibitor of ERK2 | | 分子名称: | 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ... | | 著者 | Cleasby, A. | | 登録日 | 2022-08-08 | | 公開日 | 2022-09-28 | | 最終更新日 | 2022-10-05 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor.
J.Med.Chem., 65, 2022
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5UTO
 | | The crystal structure of the Staphylococcus aureus Fatty acid Kinase (Fak) B1 protein loaded with palmitic acid to 1.83 Angstrom resolution | | 分子名称: | EDD domain protein, DegV family, PALMITIC ACID | | 著者 | Cuypers, M.G, Ericson, M, Subramanian, C, Broussard, T.C, Miller, D.J, White, S.W, Rock, C.O. | | 登録日 | 2017-02-15 | | 公開日 | 2018-02-21 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | The crystal structure of the Staphylococcus aureus Fatty acid Kinase (Fak) B1 protein loaded with palmitic acid to 1.83 Angstroem resolution
J.Biol.Chem., 2018
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6Q7K
 | | ERK2 mini-fragment binding | | 分子名称: | 1H-imidazol-2-amine, Mitogen-activated protein kinase 1, SULFATE ION | | 著者 | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | | 登録日 | 2018-12-13 | | 公開日 | 2019-03-27 | | 最終更新日 | 2019-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
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7Q6W
 | | Crystal structure of the bromodomain of ATAD2 with triazolopyridazine (cpd 22) | | 分子名称: | (1R,9S)-13-[[3-methyl-8-[(1-methylpiperidin-4-yl)amino]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]carbonyl]-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one, ATPase family AAA domain-containing protein 2, SULFATE ION | | 著者 | Patel, S.J, Winter-Holt, J.J. | | 登録日 | 2021-11-09 | | 公開日 | 2022-01-19 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Discovery of a Potent and Selective ATAD2 Bromodomain Inhibitor with Antiproliferative Activity in Breast Cancer Models.
J.Med.Chem., 65, 2022
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