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4XEI
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Orthorhombic isomorph of bovine Arp2/3 complex
分子名称: Actin-related protein 2, Actin-related protein 2/3 complex subunit 1B, Actin-related protein 2/3 complex subunit 2, ...
著者Jurgenson, C.J, Pollard, T.P.
登録日2014-12-23
公開日2015-09-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.874 Å)
主引用文献Crystals of the Arp2/3 complex in two new space groups with structural information about actin-related protein 2 and potential WASP binding sites.
Acta Crystallogr.,Sect.F, 71, 2015
7SA0
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BU of 7sa0 by Molmil
Crystal structure of CDK2 liganded with compound EF4195
分子名称: 1,2-ETHANEDIOL, 2-{[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino}-5-(trifluoromethyl)benzoic acid, Cyclin-dependent kinase 2
著者Sun, L, Schonbrunn, E.
登録日2021-09-21
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Development of selective allosteric inhibitors of cyclin-dependent kinase 2 (CDK2)
To Be Published
5LU1
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BU of 5lu1 by Molmil
Human 14-3-3 sigma CLU3 mutant complexed with short HSPB6 phosphopeptide
分子名称: 14-3-3 protein sigma, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Heat shock protein beta-6
著者Sluchanko, N.N, Beelen, S, Kulikova, A.A, Weeks, S.D, Antson, A.A, Gusev, N.B, Strelkov, S.V.
登録日2016-09-07
公開日2017-02-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Basis for the Interaction of a Human Small Heat Shock Protein with the 14-3-3 Universal Signaling Regulator.
Structure, 25, 2017
7S9X
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BU of 7s9x by Molmil
Crystal structure of CDK2 liganded with compound WN378
分子名称: 2-[(9H-carbazol-3-yl)amino]-5-(trifluoromethyl)benzoic acid, Cyclin-dependent kinase 2
著者Sun, L, Schonbrunn, E.
登録日2021-09-21
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Development of selective allosteric inhibitors of cyclin-dependent kinase 2 (CDK2)
To Be Published
8T85
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BU of 8t85 by Molmil
Structure of RssB bound to beryllofluoride
分子名称: BERYLLIUM TRIFLUORIDE ION, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
著者Brugger, C, Schwartz, J, Deaconescu, A.M.
登録日2023-06-21
公開日2024-01-17
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Structure of phosphorylated-like RssB, the adaptor delivering sigma s to the ClpXP proteolytic machinery, reveals an interface switch for activation.
J.Biol.Chem., 299, 2023
5LX3
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BU of 5lx3 by Molmil
CRYSTAL STRUCTURE OF VISFATIN IN COMPLEX WITH SAR154782.
分子名称: 6-[4-[(6-azanylpyridin-3-yl)methylcarbamoylamino]-3-fluoranyl-phenyl]-2-(ethylamino)-~{N}-(2-piperidin-1-ylethyl)pyridine-3-carboxamide, Nicotinamide phosphoribosyltransferase
著者Bertrand, T, Marquette, J.P.
登録日2016-09-20
公開日2017-10-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献CRYSTAL STRUCTURE OF VISFATIN IN COMPLEX WITH SAR154782.
To Be Published
7S84
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BU of 7s84 by Molmil
Crystal structure of CDK2 liganded with compound TW8972
分子名称: 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(trifluoromethyl)benzoic acid, Cyclin-dependent kinase 2
著者Sun, L, Schonbrunn, E.
登録日2021-09-17
公開日2022-09-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Development of allosteric and selective CDK2 inhibitors for contraception with negative cooperativity to cyclin binding.
Nat Commun, 14, 2023
7S7A
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BU of 7s7a by Molmil
Crystal structure of CDK2 liganded with compound EF3019
分子名称: 1,2-ETHANEDIOL, 2-{[2-(2H-indazol-3-yl)ethyl]amino}-5-(trifluoromethyl)benzoic acid, Cyclin-dependent kinase 2
著者Sun, L, Schonbrunn, E.
登録日2021-09-15
公開日2022-09-28
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Screening through Lead Optimization of High Affinity, Allosteric Cyclin-Dependent Kinase 2 (CDK2) Inhibitors as Male Contraceptives That Reduce Sperm Counts in Mice.
J.Med.Chem., 66, 2023
7S85
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BU of 7s85 by Molmil
Crystal structure of CDK2 liganded with compound WN316
分子名称: 1,2-ETHANEDIOL, 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(trifluoromethoxy)benzoic acid, Cyclin-dependent kinase 2
著者Sun, L, Schonbrunn, E.
登録日2021-09-17
公開日2022-09-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Screening through Lead Optimization of High Affinity, Allosteric Cyclin-Dependent Kinase 2 (CDK2) Inhibitors as Male Contraceptives That Reduce Sperm Counts in Mice.
J.Med.Chem., 66, 2023
4Y2H
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BU of 4y2h by Molmil
Crystal structure of human protein arginine methyltransferase PRMT6 bound to SAH and an aryl pyrazole inhibitor
分子名称: GLYCEROL, N-{[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-N-methylethane-1,2-diamine, Protein arginine N-methyltransferase 6, ...
著者Swinger, K.K, Boriack-Sjodin, P.A.
登録日2015-02-09
公開日2015-04-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Aryl Pyrazoles as Potent Inhibitors of Arginine Methyltransferases: Identification of the First PRMT6 Tool Compound.
Acs Med.Chem.Lett., 6, 2015
8K8E
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BU of 8k8e by Molmil
Human gamma-secretase in complex with a substrate mimetic
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Shi, Y.G, Zhou, R, Wolfe, M.S.
登録日2023-07-29
公開日2024-01-31
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Familial Alzheimer mutations stabilize synaptotoxic gamma-secretase-substrate complexes.
Cell Rep, 43, 2024
5CL1
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BU of 5cl1 by Molmil
Complex structure of Norrin with human Frizzled 4
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Frizzled-4, Maltose-binding periplasmic protein,Norrin
著者Wang, Z, Ke, J, Shen, G, Cheng, Z, Xu, H.E, Xu, W.
登録日2015-07-16
公開日2015-08-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Structural basis of the Norrin-Frizzled 4 interaction.
Cell Res., 25, 2015
5MR7
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BU of 5mr7 by Molmil
Crystal structure of the DBD domain of human Grhl2
分子名称: Grainyhead-like protein 2 homolog
著者Schuetz, A, Ming, Q, Roske, Y, Heinemann, U.
登録日2016-12-21
公開日2018-01-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis of gene regulation by the Grainyhead/CP2 transcription factor family.
Nucleic Acids Res., 46, 2018
7SJ3
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BU of 7sj3 by Molmil
Structure of CDK4-Cyclin D3 bound to abemaciclib
分子名称: Cyclin-dependent kinase 4, G1/S-specific cyclin-D3, N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazol-6-yl]py rimidin-2-amine
著者Hilgers, M.T, Pelletier, L.A.
登録日2021-10-15
公開日2022-11-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Structure of CDK4-Cyclin D3 bound to abemaciclib
To Be Published
5CER
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BU of 5cer by Molmil
Bd0816 Predatory Endopeptidase from Bdellovibrio bacteriovorus in complex with immunity protein Bd3460
分子名称: 1,2-ETHANEDIOL, Bd0816, Bd3460
著者Lovering, A.L, Cadby, I.T, Lambert, C, Sockett, R.E.
登録日2015-07-07
公開日2015-12-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Ankyrin-mediated self-protection during cell invasion by the bacterial predator Bdellovibrio bacteriovorus.
Nat Commun, 6, 2015
5MPH
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BU of 5mph by Molmil
Structural Basis of Gene Regulation by the Grainyhead Transcription Factor Superfamily
分子名称: Grainyhead-like protein 1 homolog, IODIDE ION
著者Ming, Q, Roske, Y, Schuetz, A, Walentin, K, Ibraimi, I, Schmidt-Ott, K.M, Heinemann, U.
登録日2016-12-16
公開日2018-01-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.337 Å)
主引用文献Structural basis of gene regulation by the Grainyhead/CP2 transcription factor family.
Nucleic Acids Res., 46, 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
4Y3B
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BU of 4y3b by Molmil
Crystal structure of C-terminal modified Tau peptide-hybrid 201D with 14-3-3sigma
分子名称: (2S)-2-(2-methoxyethyl)pyrrolidine, 14-3-3 protein sigma, ARG-THR-PRO-SEP-LEU-PRO-THR-[H][C@@]1(C(C2=CC=CC=C2)C3=CC=CC=C3)CCCN1C
著者Bartel, M, Milroy, L.G, Brunsveld, L, Ottmann, C.
登録日2015-02-10
公開日2015-12-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Stabilizer-Guided Inhibition of Protein-Protein Interactions.
Angew.Chem.Int.Ed.Engl., 54, 2015
5BWZ
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BU of 5bwz by Molmil
Crystal structure of S39E HDAC8 in complex with Droxinostat
分子名称: Droxinostat, GLYCEROL, Histone deacetylase 8, ...
著者Decroos, C, Christianson, D.W.
登録日2015-06-08
公開日2016-06-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Phosphorylation of Histone Deacetylase 8: Structural and Mechanistic Analysis of the Phosphomimetic S39E Mutant.
Biochemistry, 58, 2019
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
7SA5
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BU of 7sa5 by Molmil
Two-state solution NMR structure of Apo Pin1
分子名称: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
著者Born, A, Vogeli, B.
登録日2021-09-22
公開日2021-10-20
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Reconstruction of Coupled Intra- and Interdomain Protein Motion from Nuclear and Electron Magnetic Resonance.
J.Am.Chem.Soc., 143, 2021
5MPF
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BU of 5mpf by Molmil
Structural Basis of Gene Regulation by the Grainyhead Transcription Factor Superfamily
分子名称: DNA (5'-D(*AP*AP*AP*AP*CP*CP*GP*GP*TP*TP*TP*T)-3'), Grainyhead-like protein 1 homolog
著者Ming, Q, Roske, Y, Schuetz, A, Walentin, K, Ibraimi, I, Schmidt-Ott, K.M, Heinemann, U.
登録日2016-12-16
公開日2018-01-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.918 Å)
主引用文献Structural basis of gene regulation by the Grainyhead/CP2 transcription factor family.
Nucleic Acids Res., 46, 2018
5MYC
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BU of 5myc by Molmil
Crystal structure of human 14-3-3 sigma in complex with LRRK2 peptide pS910
分子名称: 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ...
著者Stevers, L.M, de Vries, R.M.J.M, Ottmann, C.
登録日2017-01-26
公開日2017-03-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.459 Å)
主引用文献Structural interface between LRRK2 and 14-3-3 protein.
Biochem. J., 474, 2017
5QS7
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PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z32327641
分子名称: T-box transcription factor T, [4-(cyclopropanecarbonyl)piperazin-1-yl](furan-2-yl)methanone
著者Newman, J.A, Gavard, A.E, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2019-05-25
公開日2019-08-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献PanDDA analysis group deposition
To Be Published
4XZS
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BU of 4xzs by Molmil
Crystal Structure of TRIAP1-MBP fusion
分子名称: Maltose-binding periplasmic protein,TP53-regulated inhibitor of apoptosis 1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Miliara, X, Garnett, J.A, Abid-Ali, F, Perez-Dorado, I, Matthews, S.J.
登録日2015-02-04
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structural insight into the TRIAP1/PRELI-like domain family of mitochondrial phospholipid transfer complexes.
Embo Rep., 16, 2015

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