6R75
| Crystal structure of human Ube2T E54R mutant | 分子名称: | Ubiquitin-conjugating enzyme E2 T | 著者 | Chaugule, V.K, Rennie, M.L, Walden, H, Arkinson, C, Kamarainen, O, Toth, R. | 登録日 | 2019-03-28 | 公開日 | 2019-10-16 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Allosteric mechanism for site-specific ubiquitination of FANCD2. Nat.Chem.Biol., 16, 2020
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7VCV
| Human p97 single hexamer conformer I with ATPgammaS bound | 分子名称: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase | 著者 | Gao, H, Li, F, Shi, Z, Li, Y, Yu, H. | 登録日 | 2021-09-04 | 公開日 | 2022-03-02 | 最終更新日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (3.21 Å) | 主引用文献 | Cryo-EM structures of human p97 double hexamer capture potentiated ATPase-competent state. Cell Discov, 8, 2022
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2OSS
| Crystal structure of the Bromo domain 1 in human Bromodomain Containing Protein 4 (BRD4) | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | 著者 | Filippakopoulos, P, Keates, T, Savitsky, P, Burgess, N, Pike, A.C.W, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2007-02-06 | 公開日 | 2007-02-20 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Histone recognition and large-scale structural analysis of the human bromodomain family. Cell(Cambridge,Mass.), 149, 2012
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2OT0
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2OT8
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5N10
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4HAW
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4HBW
| Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazoline ligand | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-ethyl-3-methyl-2-oxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide, ... | 著者 | Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Fish, P.V, Bunnage, M.E, Cook, A.S, Owen, D.R, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2012-09-28 | 公開日 | 2012-10-31 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Identification of a Chemical Probe for Bromo and Extra C-Terminal Bromodomain Inhibition through Optimization of a Fragment-Derived Hit. J.Med.Chem., 55, 2012
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4GPJ
| Crystal Structure of the first bromodomain of human BRD4 in complex with a isoxazolylbenzimidazole ligand | 分子名称: | (1R)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenyl-2,3-dihydro-1H-inden-1-ol, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ... | 著者 | Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, Heightman, T.D, Brennan, P, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2012-08-21 | 公開日 | 2012-10-17 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | The design and synthesis of 5- and 6-isoxazolylbenzimidazoles as selective inhibitors of the BET bromodomains. Medchemcomm, 4, 2013
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5N2M
| Crystal structure of the first bromodomain of human BRD4 in complex with a tetrahydroquinoline analogue | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, propan-2-yl ~{N}-[(2~{S},4~{R})-6-(3-acetamidophenyl)-1-ethanoyl-2-methyl-3,4-dihydro-2~{H}-quinolin-4-yl]carbamate | 著者 | Tallant, C, Slavish, P.J, Siejka, P, Bharatham, N, Shadrick, W.R, Chai, S, Young, B.M, Boyd, V.A, Heroven, C, Wiggers, H.J, Picaud, S, Fedorov, O, Krojer, T, Chen, T, Lee, R.E, Guy, R.K, Shelat, A.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2017-02-07 | 公開日 | 2018-02-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | Crystal structure of the first bromodomain of human BRD4 in complex with a tetrahydroquinoline analogue To Be Published
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7RWH
| Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor AGI-41998 | 分子名称: | 1,2-ETHANEDIOL, 8-(4-bromophenyl)-6-(4-methoxyphenyl)-2-[2,2,2-tris(fluoranyl)ethylamino]pyrido[4,3-d]pyrimidin-7-ol, CHLORIDE ION, ... | 著者 | Jin, L, Padyana, A.K. | 登録日 | 2021-08-19 | 公開日 | 2022-03-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.17 Å) | 主引用文献 | Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads. J.Med.Chem., 65, 2022
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7RWG
| "Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor AGI-43192 | 分子名称: | (8R)-8-(4-chlorophenyl)-6-(2-methyl-2H-indazol-5-yl)-2-[(2,2,2-trifluoroethyl)amino]-5,8-dihydropyrido[4,3-d]pyrimidin-7(6H)-one, 1,2-ETHANEDIOL, CHLORIDE ION, ... | 著者 | Jin, L, Padyana, A.K. | 登録日 | 2021-08-19 | 公開日 | 2022-03-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (0.97 Å) | 主引用文献 | Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads. J.Med.Chem., 65, 2022
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7RW7
| Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor Compound 9 | 分子名称: | (3'R)-2-[(cyclopropylmethyl)amino]-6-(4-methoxyphenyl)-1'-[(1H-pyrazol-5-yl)methyl]-5,6-dihydro-7H-spiro[pyrido[4,3-d]pyrimidine-8,3'-pyrrolidin]-7-one, 1,2-ETHANEDIOL, CHLORIDE ION, ... | 著者 | Jin, L, Padyana, A.K. | 登録日 | 2021-08-19 | 公開日 | 2022-03-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.19 Å) | 主引用文献 | Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads. J.Med.Chem., 65, 2022
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6RLB
| Structure of the dynein-2 complex; tail domain | 分子名称: | Cytoplasmic dynein 2 light intermediate chain 1, Dynein light chain 1, cytoplasmic, ... | 著者 | Toropova, K, Zalyte, R, Mukhopadhyay, A.G, Mladenov, M, Carter, A.P, Roberts, A.J. | 登録日 | 2019-05-01 | 公開日 | 2019-08-28 | 最終更新日 | 2024-05-22 | 実験手法 | ELECTRON MICROSCOPY (4.5 Å) | 主引用文献 | Structure of the dynein-2 complex and its assembly with intraflagellar transport trains. Nat.Struct.Mol.Biol., 26, 2019
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7RW5
| Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor Compound 1 | 分子名称: | (3'R)-N-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]-4-methyl-5H,7H-spiro[pyrano[4,3-d]pyrimidine-8,3'-pyrrolidin]-2-amine, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 | 著者 | Jin, L, Padyana, A.K. | 登録日 | 2021-08-19 | 公開日 | 2022-03-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads. J.Med.Chem., 65, 2022
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2O8F
| human MutSalpha (MSH2/MSH6) bound to DNA with a single base T insert | 分子名称: | 5'-D(*CP*GP*CP*TP*AP*GP*CP*GP*TP*GP*CP*GP*GP*CP*CP*GP*TP*C)-3', 5'-D(*GP*AP*CP*GP*GP*CP*CP*GP*CP*CP*GP*CP*TP*AP*GP*CP*G)-3', ADENOSINE-5'-DIPHOSPHATE, ... | 著者 | Warren, J.J, Pohlhaus, T.J, Changela, A, Modrich, P.L, Beese, L.S. | 登録日 | 2006-12-12 | 公開日 | 2007-06-05 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | 主引用文献 | Structure of the Human MutSalpha DNA Lesion Recognition Complex. Mol.Cell, 26, 2007
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5LT1
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5LQ0
| Crystal structure of Tyr24 phosphorylated Annexin A2 at 2.9 A resolution | 分子名称: | Annexin A2, CALCIUM ION | 著者 | Ecsedi, P, Gogl, G, Kiss, B, Nyitray, L. | 登録日 | 2016-08-15 | 公開日 | 2017-07-05 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Regulation of the Equilibrium between Closed and Open Conformations of Annexin A2 by N-Terminal Phosphorylation and S100A4-Binding. Structure, 25, 2017
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6X2M
| Crystal Structure of unliganded CRM1-Ran-RanBP1 | 分子名称: | Exportin-1, GLYCEROL, GTP-binding nuclear protein Ran, ... | 著者 | Baumhardt, J.M. | 登録日 | 2020-05-20 | 公開日 | 2020-07-01 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.351 Å) | 主引用文献 | Recognition of nuclear export signals by CRM1 carrying the oncogenic E571K mutation. Mol.Biol.Cell, 31, 2020
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5LZT
| Structure of the mammalian ribosomal termination complex with eRF1 and eRF3. | 分子名称: | 18S ribosomal RNA, 28S ribosomal RNA, 5.8S ribosomal RNA, ... | 著者 | Shao, S, Murray, J, Brown, A, Taunton, J, Ramakrishnan, V, Hegde, R.S. | 登録日 | 2016-10-02 | 公開日 | 2016-11-30 | 最終更新日 | 2019-12-11 | 実験手法 | ELECTRON MICROSCOPY (3.65 Å) | 主引用文献 | Decoding Mammalian Ribosome-mRNA States by Translational GTPase Complexes. Cell, 167, 2016
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6X3R
| Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors | 分子名称: | Peptidyl-prolyl cis-trans isomerase A, methyl (3~{S})-1-[(2~{S})-2-[[(2~{S})-2-acetamido-3-methyl-butanoyl]amino]-3-(3-hydroxyphenyl)propanoyl]-1,2-diazinane-3-carboxylate | 著者 | Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D. | 登録日 | 2020-05-21 | 公開日 | 2020-06-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis. J.Chem.Inf.Model., 60, 2020
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6X4P
| Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors: (2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone (compound 28) | 分子名称: | (2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A | 著者 | Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D. | 登録日 | 2020-05-22 | 公開日 | 2020-06-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis. J.Chem.Inf.Model., 60, 2020
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6TAY
| Mouse RNF213 mutant R4753K modeling the Moyamoya-disease-related Human variant R4810K | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, RNF213,E3 ubiquitin-protein ligase RNF213,E3 ubiquitin-protein ligase RNF213, ... | 著者 | Ahel, J, Meinhart, A, Haselbach, D, Clausen, T. | 登録日 | 2019-10-31 | 公開日 | 2020-07-01 | 最終更新日 | 2021-01-13 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Moyamoya disease factor RNF213 is a giant E3 ligase with a dynein-like core and a distinct ubiquitin-transfer mechanism. Elife, 9, 2020
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4GPT
| Crystal structure of KPT251 in complex with CRM1-Ran-RanBP1 | 分子名称: | 1,2-ETHANEDIOL, 2-(2-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}ethyl)-1,3,4-oxadiazole, CHLORIDE ION, ... | 著者 | Sun, Q, Chook, Y.M. | 登録日 | 2012-08-21 | 公開日 | 2012-09-05 | 最終更新日 | 2013-01-23 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | Antileukemic activity of nuclear export inhibitors that spare normal hematopoietic cells. Leukemia, 27, 2013
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6X2P
| Crystal Structure of the Mek1NES peptide bound to CRM1 | 分子名称: | Dual specificity mitogen-activated protein kinase kinase 1, Exportin-1, GLYCEROL, ... | 著者 | Baumhardt, J.M. | 登録日 | 2020-05-20 | 公開日 | 2020-07-01 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.401 Å) | 主引用文献 | Recognition of nuclear export signals by CRM1 carrying the oncogenic E571K mutation. Mol.Biol.Cell, 31, 2020
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