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5WG6
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Human Polycomb Repressive Complex 2 in complex with GSK126 inhibitor
分子名称: 1-[(2S)-butan-2-yl]-N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3-methyl-6-[6-(piperazin-1-yl)pyridin-3-yl]-1H-indole-4-carboxamide, Histone-lysine N-methyltransferase EZH2,Polycomb protein SUZ12 (E.C.2.1.1.43) chimera, Polycomb protein EED, ...
著者Bratkowski, M.A, Liu, X.
登録日2017-07-13
公開日2018-06-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.901 Å)
主引用文献An Evolutionarily Conserved Structural Platform for PRC2 Inhibition by a Class of Ezh2 Inhibitors.
Sci Rep, 8, 2018
5ETA
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BU of 5eta by Molmil
Structure of MAPK14 with bound the KIM domain of the Toxoplasma protein GRA24
分子名称: Mitogen-activated protein kinase 14, Putative transmembrane protein
著者Pellegrini, E, Palencia, A, Braun, L, Kapp, U, Bougdour, A, Belrhali, H, Bowler, M.W, Hakimi, M.
登録日2015-11-17
公開日2016-10-26
最終更新日2019-02-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Basis for the Subversion of MAP Kinase Signaling by an Intrinsically Disordered Parasite Secreted Agonist.
Structure, 25, 2017
5ETI
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Structure of dead kinase MAPK14
分子名称: Mitogen-activated protein kinase 14
著者Pellegrini, E, Bowler, M.W.
登録日2015-11-17
公開日2016-01-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Architecture of the MKK6-p38 alpha complex defines the basis of MAPK specificity and activation.
Science, 381, 2023
5ETF
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BU of 5etf by Molmil
Structure of dead kinase MAPK14 with bound the KIM domain of MKK6
分子名称: Dual specificity mitogen-activated protein kinase kinase 6, Mitogen-activated protein kinase 14
著者Pellegrini, E, Palencia, A, Braun, L, Kapp, U, Bougdour, A, Belrhali, H, Bowler, M.W, Hakimi, M.
登録日2015-11-17
公開日2016-10-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Basis for the Subversion of MAP Kinase Signaling by an Intrinsically Disordered Parasite Secreted Agonist.
Structure, 25, 2017
5ETC
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Structure of inactive MAPK14 with ordered Activation Loop
分子名称: Mitogen-activated protein kinase 14, SULFATE ION
著者Kapp, U, Pellegrini, E, Bowler, M.W.
登録日2015-11-17
公開日2016-01-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.422 Å)
主引用文献Architecture of the MKK6-p38 alpha complex defines the basis of MAPK specificity and activation.
Science, 381, 2023
8OVW
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BU of 8ovw by Molmil
Cryo-EM structure of CBF1-CCAN bound topologically to centromeric DNA
分子名称: C0N3 DNA, Centromere-binding protein 1, Inner kinetochore subunit AME1, ...
著者Dendooven, T.D, Zhang, Z, Yang, J, McLaughlin, S, Schwabb, J, Scheres, S, Yatskevich, S, Barford, D.
登録日2023-04-26
公開日2023-08-09
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Cryo-EM structure of the complete inner kinetochore of the budding yeast point centromere.
Sci Adv, 9, 2023
3WTP
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BU of 3wtp by Molmil
Crystal Structure of the heterotypic nucleosome containing human CENP-A and H3.3
分子名称: DNA (146-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
著者Arimura, Y, Shirayama, K, Horikoshi, N, Fujita, R, Kagawa, W, Fukagawa, T, Almouzni, G, Kurumizaka, H.
登録日2014-04-14
公開日2014-12-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Crystal structure and stable property of the cancer-associated heterotypic nucleosome containing CENP-A and H3.3
Sci Rep, 4, 2014
6FI5
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BU of 6fi5 by Molmil
Crystal structure of C-terminal modified Tau peptide-hybrid 3.2d with 14-3-3sigma
分子名称: (2~{S})-2-(diphenylmethyl)pyrrolidine, 14-3-3 protein sigma, CHLORIDE ION, ...
著者Andrei, S.A, Meijer, F.A, Ottmann, C, Milroy, L.G.
登録日2018-01-17
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Inhibition of 14-3-3/Tau by Hybrid Small-Molecule Peptides Operating via Two Different Binding Modes.
ACS Chem Neurosci, 9, 2018
6P3W
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BU of 6p3w by Molmil
Crystal structure of the Cyclin A-CDK2-ORC1 complex
分子名称: Cyclin-A2, Cyclin-dependent kinase 2, ORC1 Peptide, ...
著者Wang, B, Song, J.
登録日2019-05-24
公開日2019-07-31
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Structural basis for the ORC1-Cyclin A association.
Protein Sci., 28, 2019
6F5M
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BU of 6f5m by Molmil
Crystal structure of highly glycosylated human leukocyte elastase in complex with a thiazolidinedione inhibitor
分子名称: 5-[[4-[[(2~{S})-4-methyl-1-oxidanylidene-1-[(2-propylphenyl)amino]pentan-2-yl]carbamoyl]phenyl]methyl]-2-oxidanylidene-1,3-thiazol-1-ium-4-olate, ACETATE ION, Neutrophil elastase, ...
著者Hochscherf, J, Pietsch, M, Tieu, W, Kuan, K, Hautmann, S, Abell, A, Guetschow, M, Niefind, K.
登録日2017-12-01
公開日2018-08-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of highly glycosylated human leukocyte elastase in complex with an S2' site binding inhibitor.
Acta Crystallogr F Struct Biol Commun, 74, 2018
6P8F
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BU of 6p8f by Molmil
Crystal structure of CDK4 in complex with CyclinD1 and P27
分子名称: Cyclin-dependent kinase 4, Cyclin-dependent kinase inhibitor 1B, G1/S-specific cyclin-D1
著者Guiley, K.Z, Stevenson, J.W, Lou, K, Barkovich, K.J, Bunch, K, Tripathi, S.M, Shokat, K.M, Rubin, S.M.
登録日2019-06-07
公開日2019-12-25
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献p27 allosterically activates cyclin-dependent kinase 4 and antagonizes palbociclib inhibition.
Science, 366, 2019
6FAW
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BU of 6faw by Molmil
Crystal structure of C-terminal modified Tau peptide-hybrid 4.2c-I with 14-3-3sigma
分子名称: (2~{R})-2-[(~{R})-[2-(2-methoxyethoxy)phenyl]-phenyl-methyl]pyrrolidine, 14-3-3 protein sigma, ACE-ARG-THR-PRO-SEP-LEU-PRO-GLY, ...
著者Andrei, S.A, Meijer, F.A, Ottmann, C, Milroy, L.G.
登録日2017-12-18
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Inhibition of 14-3-3/Tau by Hybrid Small-Molecule Peptides Operating via Two Different Binding Modes.
ACS Chem Neurosci, 9, 2018
5CCM
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BU of 5ccm by Molmil
Crystal structure of SMYD3 with SAM and EPZ030456
分子名称: 6-chloranyl-2-oxidanylidene-N-[(1S,5R)-8-[4-[(phenylmethyl)amino]piperidin-1-yl]sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,3-dihydroindole-5-carboxamide, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ...
著者Boriack-Sjodin, P.A.
登録日2015-07-02
公開日2015-09-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Novel Oxindole Sulfonamides and Sulfamides: EPZ031686, the First Orally Bioavailable Small Molecule SMYD3 Inhibitor.
Acs Med.Chem.Lett., 7, 2016
6FCP
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BU of 6fcp by Molmil
Crystal structure of 14-3-3 sigma in complex with Shroom3 P1244L
分子名称: 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ...
著者Leysen, S, Meijer, F.A, Milroy, L.G, Ottmann, C.
登録日2017-12-20
公開日2018-03-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Characterization of Coding/Noncoding Variants forSHROOM3in Patients with CKD.
J. Am. Soc. Nephrol., 29, 2018
6FCV
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BU of 6fcv by Molmil
Structure of the human DDB1-CSA complex
分子名称: DNA damage-binding protein 1, DNA excision repair protein ERCC-8
著者Meulenbroek, E.M, Pannu, N.S.
登録日2017-12-21
公開日2019-01-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献TRiC controls transcription resumption after UV damage by regulating Cockayne syndrome protein A.
Nat Commun, 9, 2018
6FE8
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BU of 6fe8 by Molmil
Cryo-EM structure of the core Centromere Binding Factor 3 complex
分子名称: Centromere DNA-binding protein complex CBF3 subunit B, Centromere DNA-binding protein complex CBF3 subunit C, Suppressor of kinetochore protein 1
著者Zhang, W.J, Lukoynova, N, Miah, S, Vaughan, C.K.
登録日2017-12-30
公開日2018-08-01
最終更新日2019-12-11
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Insights into Centromere DNA Bending Revealed by the Cryo-EM Structure of the Core Centromere Binding Factor 3 with Ndc10.
Cell Rep, 24, 2018
6P8H
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BU of 6p8h by Molmil
Crystal structure of CDK4 in complex with CyclinD1 and P21
分子名称: Cyclin-dependent kinase 4, Cyclin-dependent kinase inhibitor 1, G1/S-specific cyclin-D1
著者Guiley, K.Z, Stevenson, J.W, Lou, K, Barkovich, K.J, Bunch, K, Tripathi, S.M, Shokat, K.M, Rubin, S.M.
登録日2019-06-07
公開日2019-12-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献p27 allosterically activates cyclin-dependent kinase 4 and antagonizes palbociclib inhibition.
Science, 366, 2019
5BPU
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BU of 5bpu by Molmil
Crystal structure of Norrin, a Wnt signalling activator, Crystal Form I
分子名称: (GGL)EEE, (GGL)EEEEEE, 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2019-07-10
実験手法X-RAY DIFFRACTION (2.4 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
8A8M
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BU of 8a8m by Molmil
Structure of the MAPK p38alpha in complex with its activating MAP2K MKK6
分子名称: Dual specificity mitogen-activated protein kinase kinase 6, MAGNESIUM ION, Mitogen-activated protein kinase 14, ...
著者Bowler, M.W, Juyoux, P, Pellegrini, E.
登録日2022-06-23
公開日2022-07-13
最終更新日2023-09-27
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Architecture of the MKK6-p38 alpha complex defines the basis of MAPK specificity and activation.
Science, 381, 2023
5CCL
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BU of 5ccl by Molmil
Crystal structure of SMYD3 with SAM and oxindole compound
分子名称: 1,2-ETHANEDIOL, 2-oxidanylidene-N-piperidin-4-yl-1,3-dihydroindole-5-carboxamide, Histone-lysine N-methyltransferase SMYD3, ...
著者Boriack-Sjodin, P.A.
登録日2015-07-02
公開日2015-09-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Novel Oxindole Sulfonamides and Sulfamides: EPZ031686, the First Orally Bioavailable Small Molecule SMYD3 Inhibitor.
Acs Med.Chem.Lett., 7, 2016
6PPG
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BU of 6ppg by Molmil
Crystal structure of IL17FF bound to Fab fragments of MCAF5352A
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, Fab MCAF5352A heavy chain, ...
著者Huang, C.S, Yin, J.P, Hymowitz, S.G.
登録日2019-07-06
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Dissecting the molecular basis of high viscosity of monospecific and bispecific IgG antibodies.
Mabs, 12
5BQB
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BU of 5bqb by Molmil
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
6PEB
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BU of 6peb by Molmil
Crystal Structure of human NAMPT in complex with NVP-LTM976
分子名称: N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-3-(pyridin-3-yl)azetidine-1-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
著者Weihofen, W.A.
登録日2019-06-20
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Scaffold Morphing Identifies 3-Pyridyl Azetidine Ureas as Inhibitors of Nicotinamide Phosphoribosyltransferase (NAMPT).
Acs Med.Chem.Lett., 10, 2019
5BRO
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BU of 5bro by Molmil
Crystal structure of modified HexB (modB)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-hexosaminidase subunit beta, FORMIC ACID, ...
著者Kitakaze, K, Maita, N, Itoh, K.
登録日2015-06-01
公開日2016-05-04
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Protease-resistant modified human beta-hexosaminidase B ameliorates symptoms in GM2 gangliosidosis model.
J.Clin.Invest., 126, 2016
8EI3
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BU of 8ei3 by Molmil
Crystal structure of VHL in complex with H313, a Helicon Polypeptide
分子名称: Elongin-B, Elongin-C, H313, ...
著者Li, K, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H.
登録日2022-09-14
公開日2023-10-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.49 Å)
主引用文献Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides.
Nat Commun, 14, 2023

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件を2024-08-07に公開中

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