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5F6K
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Crystal structure of the MLL3-Ash2L-RbBP5 complex
分子名称: Histone-lysine N-methyltransferase 2C, Retinoblastoma-binding protein 5, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Li, Y, Lei, M, Chen, Y.
登録日2015-12-06
公開日2016-02-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.411 Å)
主引用文献Structural basis for activity regulation of MLL family methyltransferases.
Nature, 530, 2016
4UY1
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BU of 4uy1 by Molmil
Novel pyrazole series of group X Secretory Phospholipase A2 (sPLA2-X) inhibitors
分子名称: 5-(2,5-DIMETHYL-3-THIENYL)-1H-PYRAZOLE-3-CARBOXAMIDE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Sandmark, J, Oster, L, Hallberg, K, Bodin, C, Chen, H.
登録日2014-08-28
公開日2014-10-15
最終更新日2018-04-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of a Novel Pyrazole Series of Group X Secreted Phospholipase A2 Inhibitor (Spla2X) Via Fragment Based Virtual Screening
Bioorg.Med.Chem.Lett., 24, 2014
4URU
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BU of 4uru by Molmil
The crystal structure of H-Ras and SOS in complex with ligands
分子名称: 4-METHOXY-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE, GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1
著者Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G.
登録日2014-07-02
公開日2015-03-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
4UV9
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LSD1(KDM1A)-CoREST in complex with 1-Ethyl-Tranylcypromine
分子名称: LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(4aS,10aS)-4a-[(1S,3E)-3-imino-1-phenylpentyl]-7,8-dimethyl-2,4-dioxo-1,3,4,4a,5,10a-hexahydrobenzo[g]pteridin-10(2H)-yl]pentyl dihydrogen diphosphate
著者Vianello, P, Botrugno, O, Cappa, A, Ciossani, G, Dessanti, P, Mai, A, Mattevi, A, Meroni, G, Minucci, S, Thaler, F, Tortorici, M, Trifiro, P, Valente, S, Villa, M, Varasi, M, Mercurio, C.
登録日2014-08-05
公開日2014-09-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Synthesis, Biological Activity and Mechanistic Insights of 1-Substituted Cyclopropylamine Derivatives: A Novel Class of Irreversible Inhibitors of Histone Demethylase Kdm1A.
Eur.J.Med.Chem., 86C, 2014
4US1
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The crystal structure of H-Ras and SOS in complex with ligands
分子名称: (3S)-3-[3-(aminomethyl)phenyl]-1-ethylpyrrolidine-2,5-dione, GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1
著者Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G.
登録日2014-07-02
公開日2015-03-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
4UVB
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LSD1(KDM1A)-CoREST in complex with 1-Methyl-Tranylcypromine (1S,2R)
分子名称: LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[(1R,3S,3aS,7aS)-1-amino-1,10,11-trimethyl-4,6-dioxo-3-phenyl-2,3,5,6,7,7a-hexahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate
著者Vianello, P, Botrugno, O, Cappa, A, Ciossani, G, Dessanti, P, Mai, A, Mattevi, A, Meroni, G, Minucci, S, Thaler, F, Tortorici, M, Trifiro, P, Valente, S, Villa, M, Varasi, M, Mercurio, C.
登録日2014-08-05
公開日2014-09-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Synthesis, Biological Activity and Mechanistic Insights of 1-Substituted Cyclopropylamine Derivatives: A Novel Class of Irreversible Inhibitors of Histone Demethylase Kdm1A.
Eur.J.Med.Chem., 86C, 2014
4USW
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Crystal structure of human soluble Adenylyl Cyclase with ATP
分子名称: ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ADENYLATE CYCLASE TYPE 10, ...
著者Kleinboelting, S, Steegborn, C.
登録日2014-07-13
公開日2014-07-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural Analysis of Human Soluble Adenylyl Cyclase and Crystal Structures of its Nucleotide Complexes -Implications for Cyclase Catalysis and Evolution.
FEBS J., 281, 2014
4UVR
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Binding mode, selectivity and potency of N-indolyl-oxopyridinyl-4- amino-propanyl-based inhibitors targeting Trypanosoma cruzi CYP51
分子名称: Nalpha-{4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-fluorobenzoyl}-N-pyridin-4-yl-D-tryptophanamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-DEMETHYLASE, ...
著者Vieira, D.F, Choi, J.Y, Calvet, C.M, Gut, J, Kellar, D, Siqueira-Neto, J.L, Johnston, J.B, McKerrow, J.H, Roush, W.R, Podust, L.M.
登録日2014-08-08
公開日2014-11-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Binding Mode and Potency of N-Indolyl-Oxopyridinyl-4-Amino-Propanyl-Based Inhibitors Targeting Trypanosoma Cruzi Cyp51
J.Med.Chem., 57, 2014
4WDG
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Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation V321A, complexed with 2',5'-ADP
分子名称: 2',3'-cyclic-nucleotide 3'-phosphodiesterase, ADENOSINE-2'-5'-DIPHOSPHATE
著者Myllykoski, M, Raasakka, A, Kursula, P.
登録日2014-09-08
公開日2015-09-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase.
Sci Rep, 5, 2015
4UWH
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BU of 4uwh by Molmil
Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors
分子名称: (8S)-9-[(2R)-2-hydroxy-2-phenylethyl]-2-(morpholin-4-yl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3, SODIUM ION
著者Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B.
登録日2014-08-12
公開日2014-11-26
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxo-Butyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors.
J.Med.Chem., 58, 2015
1XA4
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Crystal structure of CaiB, a type III CoA transferase in carnitine metabolism
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COENZYME A, Crotonobetainyl-CoA:carnitine CoA-transferase, ...
著者Stenmark, P, Gurmu, D, Nordlund, P.
登録日2004-08-25
公開日2004-11-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of CaiB, a Type-III CoA Transferase in Carnitine Metabolism
Biochemistry, 43, 2004
4CQO
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Structure of the human CNOT1 superfamily homology domain in complex with a Nanos1 peptide
分子名称: CCR4-NOT TRANSCRIPTION COMPLEX SUBUNIT 1, NANOS HOMOLOG 1
著者Raisch, T, Jonas, S, Weichenrieder, O, Bhandari, D, Izaurralde, E.
登録日2014-02-21
公開日2014-04-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Basis for the Nanos-Mediated Recruitment of the Ccr4-not Complex and Translational Repression
Genes Dev., 28, 2014
3M46
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The crystal structure of the D73A mutant of glycoside HYDROLASE (FAMILY 31) from Ruminococcus obeum ATCC 29174
分子名称: GLYCEROL, Uncharacterized protein
著者Tan, K, Tesar, C, Freeman, L, Babnigg, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2010-03-10
公開日2010-03-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Novel alpha-glucosidase from human gut microbiome: substrate specificities and their switch
Faseb J., 24, 2010
1XA3
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Crystal structure of CaiB, a type III CoA transferase in carnitine metabolism
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Crotonobetainyl-CoA:carnitine CoA-transferase, SULFATE ION
著者Stenmark, P, Gurmu, D, Nordlund, P, Structural Proteomics in Europe (SPINE)
登録日2004-08-25
公開日2004-11-16
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structure of CaiB, a Type-III CoA Transferase in Carnitine Metabolism
Biochemistry, 43, 2004
4JHZ
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BU of 4jhz by Molmil
Structure of E. coli beta-Glucuronidase bound with a novel, potent inhibitor 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[(1S,2S,5S)-2,5-dimethoxycyclohexyl]acetamide
分子名称: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[(1S,2S,5S)-2,5-dimethoxycyclohexyl]acetamide, Beta-glucuronidase
著者Roberts, A.B, Wallace, B.D, Redinbo, M.R.
登録日2013-03-05
公開日2013-08-28
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.831 Å)
主引用文献Molecular Insights into Microbial beta-Glucuronidase Inhibition to Abrogate CPT-11 Toxicity.
Mol.Pharmacol., 84, 2013
4F7U
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BU of 4f7u by Molmil
The 6S snRNP assembly intermediate
分子名称: HEXAETHYLENE GLYCOL, Methylosome subunit pICln, Small nuclear ribonucleoprotein E, ...
著者Grimm, C, Pelz, J.P.
登録日2012-05-16
公開日2013-01-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.898 Å)
主引用文献Structural Basis of Assembly Chaperone- Mediated snRNP Formation.
Mol.Cell, 49, 2013
4F9A
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BU of 4f9a by Molmil
Human CDC7 kinase in complex with DBF4 and nucleotide
分子名称: ADENOSINE-5'-DIPHOSPHATE, Cell division cycle 7-related protein kinase, MAGNESIUM ION, ...
著者Hughes, S, Cherepanov, P.
登録日2012-05-18
公開日2012-10-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Crystal structure of human CDC7 kinase in complex with its activator DBF4.
Nat.Struct.Mol.Biol., 19, 2012
3N04
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BU of 3n04 by Molmil
THE CRYSTAL STRUCTURE OF THE alpha-Glucosidase (FAMILY 31) FROM RUMINOCOCCUS OBEUM ATCC 29174
分子名称: GLYCEROL, alpha-glucosidase
著者Tan, K, Tesar, C, Freeman, L, Wilton, R, Babnigg, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2010-05-13
公開日2010-06-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献THE CRYSTAL STRUCTURE OF THE alpha-Glucosidase (FAMILY 31) FROM RUMINOCOCCUS OBEUM ATCC 29174
Faseb J., 24, 2010
4F99
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Human CDC7 kinase in complex with DBF4 and nucleotide
分子名称: ADENOSINE-5'-DIPHOSPHATE, Cell division cycle 7-related protein kinase, MAGNESIUM ION, ...
著者Hughes, S, Cherepanov, P.
登録日2012-05-18
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Crystal structure of human CDC7 kinase in complex with its activator DBF4.
Nat.Struct.Mol.Biol., 19, 2012
4F9B
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Human CDC7 kinase in complex with DBF4 and PHA767491
分子名称: 2-(pyridin-4-yl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one, Cell division cycle 7-related protein kinase, Protein DBF4 homolog A, ...
著者Hughes, S, Cherepanov, P.
登録日2012-05-18
公開日2012-10-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of human CDC7 kinase in complex with its activator DBF4.
Nat.Struct.Mol.Biol., 19, 2012
4F9C
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Human CDC7 kinase in complex with DBF4 and XL413
分子名称: 8-chloro-2-[(2S)-pyrrolidin-2-yl][1]benzofuro[3,2-d]pyrimidin-4(3H)-one, Cell division cycle 7-related protein kinase, Protein DBF4 homolog A, ...
著者Hughes, S, Cherepanov, P.
登録日2012-05-18
公開日2012-10-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Crystal structure of human CDC7 kinase in complex with its activator DBF4.
Nat.Struct.Mol.Biol., 19, 2012
3OC5
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Crystal Structure of the vibrio cholerae secreted colonization factor TcpF
分子名称: Toxin coregulated pilus biosynthesis protein F
著者Craig, L, Kolappan, S, Yuen, A.S.W.
登録日2010-08-09
公開日2011-04-20
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of the Vibrio cholerae Colonization Factor TcpF and Identification of a Functional Immunogenic Site.
J.Mol.Biol., 409, 2011
3OC8
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Crystal Structure of the C-terminal Domain of the Vibrio cholerae soluble colonization factor TcpF
分子名称: 1,4-DIETHYLENE DIOXIDE, GLYCEROL, SULFATE ION, ...
著者Craig, L, Kolappan, S, Yuen, A.S.W.
登録日2010-08-09
公開日2011-04-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of the Vibrio cholerae Colonization Factor TcpF and Identification of a Functional Immunogenic Site.
J.Mol.Biol., 409, 2011
5ANR
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Structure of a human 4E-T - DDX6 - CNOT1 complex
分子名称: CCR4-NOT TRANSCRIPTION COMPLEX SUBUNIT 1, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E TRANSPORTER, PROBABLE ATP-DEPENDENT RNA HELICASE DDX6
著者Basquin, J, Oezguer, S, Conti, E.
登録日2015-09-08
公開日2015-10-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.102 Å)
主引用文献Structure of a Human 4E-T/Ddx6/Cnot1 Complex Reveals the Different Interplay of Ddx6-Binding Proteins with the Ccr4-not Complex.
Cell Rep., 13, 2015
4ICW
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N-terminal C2 domain of human CEP120
分子名称: Centrosomal protein of 120 kDa
著者Janowski, R, Guarin, N, Coll, M.
登録日2012-12-11
公開日2014-06-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献N-terminal C2 domain tandem of human CEP120 shows lipid binding properties
To be Published

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件を2024-07-17に公開中

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