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3NUP
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BU of 3nup by Molmil
CDK6 (monomeric) in complex with inhibitor
分子名称: 4-[3-(1-methylethyl)-1H-pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine, Cell division protein kinase 6
著者Chopra, R.
登録日2010-07-07
公開日2010-12-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献4-(Pyrazol-4-yl)-pyrimidines as selective inhibitors of cyclin-dependent kinase 4/6.
J.Med.Chem., 53, 2010
1ERV
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BU of 1erv by Molmil
HUMAN THIOREDOXIN MUTANT WITH CYS 73 REPLACED BY SER (REDUCED FORM)
分子名称: THIOREDOXIN
著者Weichsel, A, Gasdaska, J.R, Powis, G, Montfort, W.R.
登録日1996-02-07
公開日1996-10-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structures of reduced, oxidized, and mutated human thioredoxins: evidence for a regulatory homodimer.
Structure, 4, 1996
5DFZ
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BU of 5dfz by Molmil
Structure of Vps34 complex II from S. cerevisiae.
分子名称: Nanobody binding S. cerevisiae Vps34, Phosphatidylinositol 3-kinase VPS34, Putative N-terminal domain of S. cerevisiae Vps30, ...
著者Rostislavleva, K, Soler, N, Ohashi, Y, Zhang, L, Williams, R.L.
登録日2015-08-27
公開日2015-10-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (4.4 Å)
主引用文献Structure and flexibility of the endosomal Vps34 complex reveals the basis of its function on membranes.
Science, 350, 2015
1ERT
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BU of 1ert by Molmil
HUMAN THIOREDOXIN (REDUCED FORM)
分子名称: THIOREDOXIN
著者Weichsel, A, Gasdaska, J.R, Powis, G, Montfort, W.R.
登録日1996-02-07
公開日1996-10-14
最終更新日2018-04-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structures of reduced, oxidized, and mutated human thioredoxins: evidence for a regulatory homodimer.
Structure, 4, 1996
5R4J
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BU of 5r4j by Molmil
PanDDA analysis group deposition -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN NUCLEOSOME-REMODELING FACTOR SUBUNIT BPTF in complex with FMOPL000280a
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(piperidin-1-yl)-1,2,5-oxadiazol-3-amine, DIMETHYL SULFOXIDE, ...
著者Talon, R, Krojer, T, Fairhead, M, Sethi, R, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Wright, N, MacLean, E, Renjie, Z, Dias, A, Brennan, P.E, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2020-02-24
公開日2020-04-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5BQC
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BU of 5bqc by Molmil
Crystal structure of Norrin in complex with the cysteine-rich domain of Frizzled 4 and sucrose octasulfate
分子名称: 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Frizzled-4, ...
著者Chang, T.-H, Hsieh, F.-L, Zebisch, M, 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 (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
5OEG
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BU of 5oeg by Molmil
Molecular tweezers modulate 14-3-3 protein-protein interactions
分子名称: (1R,5S,9S,16R,20R,24S,28S,35R)-3,22-Bis(dihydroxyphosphoryloxy)tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2(23),3,6,8(17),10,12,14,18,21,25,27(36),29,31,33,37-pentadecaene, 14-3-3 protein sigma, CHLORIDE ION
著者Bier, D, Ottmann, C.
登録日2017-07-07
公開日2017-07-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Molecular tweezers modulate 14-3-3 protein-protein interactions.
Nat Chem, 5, 2013
2W96
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BU of 2w96 by Molmil
Crystal Structure of CDK4 in complex with a D-type cyclin
分子名称: CELL DIVISION PROTEIN KINASE 4, G1/S-SPECIFIC CYCLIN-D1, GLYCEROL
著者Day, P.J, Cleasby, A, Tickle, I.J, Reilly, M.O, Coyle, J.E, Holding, F.P, McMenamin, R.L, Yon, J, Chopra, R, Lengauer, C, Jhoti, H.
登録日2009-01-21
公開日2009-03-10
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of Human Cdk4 in Complex with a D-Type Cyclin.
Proc.Natl.Acad.Sci.USA, 106, 2009
5E8G
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BU of 5e8g by Molmil
Crystal structure of the DNA binding domain of human transcription factor FLI1
分子名称: COBALT (II) ION, Friend leukemia integration 1 transcription factor
著者Hou, C, Tsodikov, O.V.
登録日2015-10-14
公開日2015-12-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural Basis for Dimerization and DNA Binding of Transcription Factor FLI1.
Biochemistry, 54, 2015
1ERU
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BU of 1eru by Molmil
HUMAN THIOREDOXIN (OXIDIZED FORM)
分子名称: THIOREDOXIN
著者Weichsel, A, Gasdaska, J.R, Powis, G, Montfort, W.R.
登録日1996-02-07
公開日1996-08-01
最終更新日2018-04-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structures of reduced, oxidized, and mutated human thioredoxins: evidence for a regulatory homodimer.
Structure, 4, 1996
1QAI
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BU of 1qai by Molmil
CRYSTAL STRUCTURES OF THE N-TERMINAL FRAGMENT FROM MOLONEY MURINE LEUKEMIA VIRUS REVERSE TRANSCRIPTASE COMPLEXED WITH NUCLEIC ACID: FUNCTIONAL IMPLICATIONS FOR TEMPLATE-PRIMER BINDING TO THE FINGERS DOMAIN
分子名称: DNA (5'-D(*CP*AP*TP*GP*CP*AP*TP*G)-3'), MERCURY (II) ION, REVERSE TRANSCRIPTASE
著者Najmudin, S, Cote, M, Sun, D, Yohannan, S, Montano, S.P, Gu, J, Georgiadis, M.M.
登録日1999-03-12
公開日2000-03-20
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures of an N-terminal fragment from Moloney murine leukemia virus reverse transcriptase complexed with nucleic acid: functional implications for template-primer binding to the fingers domain.
J.Mol.Biol., 296, 2000
5R4M
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BU of 5r4m by Molmil
PanDDA analysis group deposition -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN NUCLEOSOME-REMODELING FACTOR SUBUNIT BPTF in complex with FMOPL000513a
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIMETHYL SULFOXIDE, N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE, ...
著者Talon, R, Krojer, T, Fairhead, M, Sethi, R, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Wright, N, MacLean, E, Renjie, Z, Dias, A, Brennan, P.E, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2020-02-24
公開日2020-04-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.11 Å)
主引用文献PanDDA analysis group deposition
To Be Published
4IHL
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BU of 4ihl by Molmil
Human 14-3-3 isoform zeta in complex with a diphoyphorylated C-RAF peptide and Cotylenin A
分子名称: (1R,3aS,4R,5R,6R,9aR,10E)-6-({(1S,2R,4S,5R,6R,8S,9S)-5-hydroxy-2-(methoxymethyl)-9-methyl-9-[(2S)-oxiran-2-yl]-3,7,10,1 1-tetraoxatricyclo[6.2.1.0~1,6~]undec-4-yl}oxy)-1-(methoxymethyl)-4,9a-dimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,6,8,9,9a-de cahydrodicyclopenta[a,d][8]annulene-1,5-diol, 14-3-3 protein zeta/delta, POTASSIUM ION, ...
著者Molzan, M, Ottmann, C.
登録日2012-12-19
公開日2013-09-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Stabilization of Physical RAF/14-3-3 Interaction by Cotylenin A as Treatment Strategy for RAS Mutant Cancers.
Acs Chem.Biol., 8, 2013
5OY4
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BU of 5oy4 by Molmil
GSK3beta complex with N-(6-(3,4-dihydroxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)acetamide
分子名称: Glycogen synthase kinase-3 beta, Proto-oncogene FRAT1, SULFATE ION, ...
著者Bax, B.D, Convery, M.A.
登録日2017-09-07
公開日2017-11-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献From PIM1 to PI3K delta via GSK3 beta : Target Hopping through the Kinome.
ACS Med Chem Lett, 8, 2017
5R4L
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BU of 5r4l by Molmil
PanDDA analysis group deposition -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN NUCLEOSOME-REMODELING FACTOR SUBUNIT BPTF in complex with FMOPL000349a
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIMETHYL SULFOXIDE, N-{4-[(morpholin-4-yl)methyl]phenyl}acetamide, ...
著者Talon, R, Krojer, T, Fairhead, M, Sethi, R, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Wright, N, MacLean, E, Renjie, Z, Dias, A, Brennan, P.E, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2020-02-24
公開日2020-04-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5R4N
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BU of 5r4n by Molmil
PanDDA analysis group deposition -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN NUCLEOSOME-REMODELING FACTOR SUBUNIT BPTF in complex with FMOPL000061a
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-acetyl-N-ethylpiperazine-1-carboxamide, DIMETHYL SULFOXIDE, ...
著者Talon, R, Krojer, T, Fairhead, M, Sethi, R, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Wright, N, MacLean, E, Renjie, Z, Dias, A, Brennan, P.E, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2020-02-24
公開日2020-04-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献PanDDA analysis group deposition
To Be Published
3OA1
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BU of 3oa1 by Molmil
Crystal structure of phosphoprotein/Protein P/Protein M1 residues 69-297 from Rabies virus reveals degradation to C-terminal domain only
分子名称: Phosphoprotein, SULFATE ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2010-08-04
公開日2010-08-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of phosphoprotein/Protein P/Protein M1 residues 69-297 from Rabies virus reveals degradation to C-terminal domain only
To be Published
5R4H
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BU of 5r4h by Molmil
PanDDA analysis group deposition -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN NUCLEOSOME-REMODELING FACTOR SUBUNIT BPTF in complex with FMOPL000287a
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIMETHYL SULFOXIDE, Nucleosome-remodeling factor subunit BPTF, ...
著者Talon, R, Krojer, T, Fairhead, M, Sethi, R, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Wright, N, MacLean, E, Renjie, Z, Dias, A, Brennan, P.E, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2020-02-24
公開日2020-04-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5OMA
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BU of 5oma by Molmil
CH3 chimera of human 14-3-3 sigma with the StARD1 peptide including Ser57
分子名称: 14-3-3 protein sigma,Steroidogenic acute regulatory protein, mitochondrial, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Sluchanko, N.N, Tugaeva, K.V, Greive, S.J, Antson, A.A.
登録日2017-07-28
公開日2017-10-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.9 Å)
主引用文献Chimeric 14-3-3 proteins for unraveling interactions with intrinsically disordered partners.
Sci Rep, 7, 2017
5OO3
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BU of 5oo3 by Molmil
Cdk2(F80C, C177A) with covalent ligand at F80C
分子名称: 1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)propan-1-one, Cyclin-dependent kinase 2
著者Craven, G, Morgan, R.M.L, Mann, D.J.
登録日2017-08-05
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献High-throughput kinetic analysis for target-directed covalent ligand discovery
To Be Published
5OSJ
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BU of 5osj by Molmil
Cdk2(WT) with covalent adduct at C177
分子名称: Cyclin-dependent kinase 2, ~{tert}-butyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate
著者Craven, G, Morgan, R.M.L, Mann, D.J.
登録日2017-08-17
公開日2018-03-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献High-Throughput Kinetic Analysis for Target-Directed Covalent Ligand Discovery.
Angew. Chem. Int. Ed. Engl., 57, 2018
5OSM
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BU of 5osm by Molmil
Cdk2(F80C, C177A) with covalent adduct at C80
分子名称: Cyclin-dependent kinase 2, methyl 1-propanoyl-3,4-dihydro-2~{H}-quinoline-6-carboxylate
著者Craven, G, Morgan, R.M.L, Mann, D.J.
登録日2017-08-17
公開日2018-03-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献High-Throughput Kinetic Analysis for Target-Directed Covalent Ligand Discovery.
Angew. Chem. Int. Ed. Engl., 57, 2018
5R4G
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BU of 5r4g by Molmil
PanDDA analysis group deposition -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN NUCLEOSOME-REMODELING FACTOR SUBUNIT BPTF in complex with FMOPL000621a
分子名称: 4-(1,2,3-thiadiazol-4-yl)phenyl ethylcarbamate, DIMETHYL SULFOXIDE, Nucleosome-remodeling factor subunit BPTF
著者Talon, R, Krojer, T, Fairhead, M, Sethi, R, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Wright, N, MacLean, E, Renjie, Z, Dias, A, Brennan, P.E, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2020-02-24
公開日2020-04-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献PanDDA analysis group deposition
To Be Published
6QDU
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BU of 6qdu by Molmil
Crystal structure of 14-3-3sigma in complex with a RapGef2 pT740 phosphopeptide inhibited by semi-synthetic fusicoccane FC-NCPC
分子名称: 14-3-3 protein sigma, CHLORIDE ION, FC-NCPC, ...
著者Andrei, S.A, Kaplan, A, Fournier, A.E, Ottman, C.
登録日2019-01-02
公開日2020-01-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.632 Å)
主引用文献Polypharmacological Perturbation of the 14-3-3 Adaptor Protein Interactome Stimulates Neurite Outgrowth.
Cell Chem Biol, 27, 2020
7MJP
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BU of 7mjp by Molmil
Vascular KATP channel: Kir6.1 SUR2B propeller-like conformation 2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Sung, M.W, Shyng, S.L.
登録日2021-04-20
公開日2021-10-13
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Vascular K ATP channel structural dynamics reveal regulatory mechanism by Mg-nucleotides.
Proc.Natl.Acad.Sci.USA, 118, 2021

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