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3ORN
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Mitogen-activated protein kinase kinase 1 (MEK1) in complex with CH4987655 and MgAMP-PNP
分子名称: 3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-5-[(3-oxo-1,2-oxazinan-2-yl)methyl]benzamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ...
著者Lukacs, C.M, Janson, C, Schuck, V, Belunis, C.
登録日2010-09-07
公開日2011-03-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Design and synthesis of novel allosteric MEK inhibitor CH4987655 as an orally available anticancer agent.
Bioorg.Med.Chem.Lett., 21, 2011
3OS3
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BU of 3os3 by Molmil
Mitogen-activated protein kinase kinase 1 (MEK1) in complex with CH4858061 and MgATP
分子名称: 2-[(4-ethynyl-2-fluorophenyl)amino]-3,4-difluoro-N-(2-hydroxyethoxy)-5-{[(2-hydroxyethoxy)imino]methyl}benzamide, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ...
著者Lukacs, C.M, Janson, C, Schuck, V, Belunis, C.
登録日2010-09-08
公開日2011-07-27
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Design and synthesis of novel allosteric MEK inhibitor CH4987655 as an orally available anticancer agent.
Bioorg.Med.Chem.Lett., 21, 2011
3ZTH
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BU of 3zth by Molmil
Crystal structure of Stu0660 of Streptococcus thermophilus
分子名称: MAGNESIUM ION, STU0660
著者Lee, K.-H, Robinson, H, Oh, B.-H.
登録日2011-07-08
公開日2012-07-11
最終更新日2012-10-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Identification, Structural, and Biochemical Characterization of a Group of Large Csn2 Proteins Involved in Crispr-Mediated Bacterial Immunity.
Proteins, 80, 2012
3ZV7
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BU of 3zv7 by Molmil
Torpedo californica Acetylcholinesterase Inhibition by Bisnorcymserine
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Bartolucci, C, Stojan, J, Greig, N.H, Lamba, D.
登録日2011-07-24
公開日2012-05-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Kinetics of Torpedo Californica Acetylcholinesterase Inhibition by Bisnorcymserine and Crystal Structure of the Complex with its Leaving Group.
Biochem.J., 444, 2012
3PAR
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Surfactant Protein-A neck and carbohydrate recognition domain (NCRD) in the absence of ligand
分子名称: CALCIUM ION, Pulmonary surfactant-associated protein A, SULFATE ION
著者Shang, F, Rynkiewicz, M.J, McCormack, F.X, Wu, H, Cafarella, T.M, Head, J, Seaton, B.A.
登録日2010-10-19
公開日2010-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystallographic complexes of surfactant protein A and carbohydrates reveal ligand-induced conformational change.
J.Biol.Chem., 286, 2011
2WSK
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BU of 2wsk by Molmil
Crystal structure of Glycogen Debranching Enzyme GlgX from Escherichia coli K-12
分子名称: GLYCOGEN DEBRANCHING ENZYME, SULFATE ION
著者Song, H.-N, Park, J.-T, Jung, T.-Y, Park, K.-H, Woo, E.-J.
登録日2009-09-08
公開日2010-09-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural Rationale for the Short Branched Substrate Specificity of the Glycogen Debranching Enzyme Glgx.
Proteins, 78, 2010
3PW0
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Ternary complex of Aflatoxin B1 Adduct modified DNA (AFB1-FAPY) with DNA Polymerase IV and incoming dATP
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*C)-3'), ...
著者Banerjee, S.
登録日2010-12-07
公開日2011-08-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Bypass of Aflatoxin B(1) Adducts by the Sulfolobus solfataricus DNA Polymerase IV.
J.Am.Chem.Soc., 133, 2011
3PW7
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BU of 3pw7 by Molmil
Ternary complex of Aflatoxin B1 Adduct modified DNA (AFB1-N7-Gua) with DNA Polymerase IV and incoming dCTP
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 8,9-DIHYDRO-9-HYDROXY-AFLATOXIN B1, CALCIUM ION, ...
著者Banerjee, S.
登録日2010-12-07
公開日2011-08-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Bypass of Aflatoxin B(1) Adducts by the Sulfolobus solfataricus DNA Polymerase IV.
J.Am.Chem.Soc., 133, 2011
3PX7
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BU of 3px7 by Molmil
Crystal Structure of covalent complex of topoisomerase 1A with substrate
分子名称: DNA 5'-D(*A*AP*TP*GP*CP*GP*CP*T)-3', DNA 5'-D(*TP*TP*GP*GP*G)-3', DNA topoisomerase, ...
著者Zhang, Z, Tse-dinh, Y.C, Cheng, B.
登録日2010-12-09
公開日2011-04-20
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of E. coli Topoisomerase I Trapped as Covalent Complex Intermediate with Cleaved DNA
To be Published
3PXN
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BU of 3pxn by Molmil
Crystal structure of the Drosophila kinesin family member Kin10/NOD in complex with divalent manganese and ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein Nod, MANGANESE (II) ION
著者Cochran, J.C, Zhao, Y.C, Wilcox, D.E, Kull, F.J.
登録日2010-12-10
公開日2011-12-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A metal switch for controlling the activity of molecular motor proteins.
Nat.Struct.Mol.Biol., 19, 2012
4AUO
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BU of 4auo by Molmil
Crystal structure of MMP-1(E200A) in complex with a triple-helical collagen peptide
分子名称: CALCIUM ION, INTERSTITIAL COLLAGENASE, TRIPLE-HELICAL COLLAGEN PEPTIDE, ...
著者Manka, S.W, Carafoli, F, Visse, R, Bihan, D, Raynal, N, Farndale, R.W, Murphy, G, Enghild, J.J, Hohenester, E, Nagase, H.
登録日2012-05-18
公開日2012-07-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Insights Into Triple-Helical Collagen Cleavage by Matrix Metalloproteinase 1
Proc.Natl.Acad.Sci.USA, 109, 2012
4ARZ
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BU of 4arz by Molmil
The crystal structure of Gtr1p-Gtr2p complexed with GTP-GDP
分子名称: GTP-BINDING PROTEIN GTR1, GTP-BINDING PROTEIN GTR2, GUANOSINE-5'-DIPHOSPHATE, ...
著者Jeong, J.H, Kim, Y.G.
登録日2012-04-27
公開日2012-07-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal Structure of the Gtr1Pgtp-Gtr2Pgdp Complex Reveals Large Structural Rearrangements Triggered by GTP-to-Gdp Conversion
J.Biol.Chem., 287, 2012
3PL9
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BU of 3pl9 by Molmil
Crystal structure of spinach minor light-harvesting complex CP29 at 2.80 angstrom resolution
分子名称: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
著者Pan, X.W, Li, M, Wan, T, Wang, L.F, Jia, C.J, Hou, Z.Q, Zhao, X.L, Zhang, J.P, Chang, W.R.
登録日2010-11-14
公開日2011-02-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural insights into energy regulation of light-harvesting complex CP29 from spinach.
Nat.Struct.Mol.Biol., 18, 2011
4BDP
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BU of 4bdp by Molmil
CRYSTAL STRUCTURE OF BACILLUS DNA POLYMERASE I FRAGMENT COMPLEXED TO 11 BASE PAIRS OF DUPLEX DNA AFTER ADDITION OF TWO DATP RESIDUES
分子名称: DNA (5'-D(*GP*CP*AP*TP*CP*AP*TP*GP*CP*AP*A)-3'), DNA (5'-D(*TP*AP*TP*TP*GP*CP*AP*TP*GP*AP*TP*GP*C)-3'), MAGNESIUM ION, ...
著者Kiefer, J.R, Mao, C, Beese, L.S.
登録日1997-11-17
公開日1999-01-13
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Visualizing DNA replication in a catalytically active Bacillus DNA polymerase crystal.
Nature, 391, 1998
4B22
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BU of 4b22 by Molmil
Unprecedented sculpting of DNA at abasic sites by DNA glycosylase homolog Mag2
分子名称: 5'-D(*CP*GP*AP*TP*GP*GP*GP*TP*AP*GP*CP)-3', 5'-D(*GP*CP*TP*AP*CP*(3DR)P*CP*AP*TP*CP*GP)-3', MAG2, ...
著者Dalhus, B, Nilsen, L, Korvald, H, Huffman, J, Forstrom, R.J, McMurray, C.T, Alseth, I, Tainer, J.A, Bjoras, M.
登録日2012-07-12
公開日2013-01-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Sculpting of DNA at Abasic Sites by DNA Glycosylase Homolog Mag2.
Structure, 21, 2013
407D
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BU of 407d by Molmil
STRUCTURAL BASIS FOR RECOGNITION OF A-T AND T-A BASE PAIRS IN THE MINOR GROOVE OF B-DNA
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA (5'-D(*CP*CP*AP*GP*TP*AP*CP*TP*GP*G)-3'), ~{N}-[5-[[5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxidanylidene-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-4-oxidanyl-pyrrol-3-yl]-1-methyl-imidazole-2-carboxamide
著者Rees, D.C.
登録日1998-06-24
公開日1998-10-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A structural basis for recognition of A.T and T.A base pairs in the minor groove of B-DNA.
Science, 282, 1998
425D
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5'-D(*AP*CP*CP*GP*GP*TP*AP*CP*CP*GP*GP*T)-3'
分子名称: DNA (5'-D(*AP*CP*CP*GP*GP*TP*AP*CP*CP*GP*GP*T)-3')
著者Rozenberg, H, Rabinovich, D, Frolow, F, Hegde, R.S, Shakked, Z.
登録日1998-09-14
公開日1999-10-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural code for DNA recognition revealed in crystal structures of papillomavirus E2-DNA targets.
Proc.Natl.Acad.Sci.USA, 95, 1998
3MO5
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Human G9a-like (GLP, also known as EHMT1) in complex with inhibitor E72
分子名称: 7-[(5-aminopentyl)oxy]-N~4~-[1-(5-aminopentyl)piperidin-4-yl]-N~2~-[3-(dimethylamino)propyl]-6-methoxyquinazoline-2,4-diamine, Histone-lysine N-methyltransferase, H3 lysine-9 specific 5, ...
著者Chang, Y, Horton, J.R, Cheng, X.
登録日2010-04-22
公開日2010-06-30
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Adding a lysine mimic in the design of potent inhibitors of histone lysine methyltransferases.
J.Mol.Biol., 400, 2010
457D
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BU of 457d by Molmil
MOLECULAR AND CRYSTAL STRUCTURE OF D(CGCGMO6AATTCGCG): N6-METHOXYADENOSINE/ THYMIDINE BASE-PAIRS IN B-DNA
分子名称: DNA (5'-D(*CP*GP*CP*GP*(A47)P*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION
著者Chatake, T, Ono, A, Ueno, Y, Matsuda, A, Takenaka, A.
登録日1999-03-06
公開日2000-01-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystallographic studies on damaged DNAs. II. N(6)-methoxyadenine can present two alternate faces for Watson-Crick base-pairing, leading to pyrimidine transition mutagenesis.
J.Mol.Biol., 294, 1999
4AQG
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BU of 4aqg by Molmil
X-ray crystallographic structure of Crimean-congo haemorrhagic fever virus nucleoprotein
分子名称: NUCLEOPROTEIN, SULFATE ION
著者Wang, Y, Dutta, S, Karlberg, H, Devignot, S, Weber, F, Hao, Q, Tan, Y.J, Mirazimi, A, Kotaka, M.
登録日2012-04-17
公開日2012-09-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of Crimean-Congo Haemorraghic Fever Virus Nucleoprotein: Superhelical Homo-Oligomers and the Role of Caspase-3 Cleavage.
J.Virol., 86, 2012
482D
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BU of 482d by Molmil
RELEASE OF THE CYANO MOIETY IN THE CRYSTAL STRUCTURE OF N-CYANOMETHYL-N-(2-METHOXYETHYL)-DAUNOMYCIN COMPLEXED WITH D(CGATCG)
分子名称: 5'-D(*CP*GP*AP*TP*CP*G)-3', N-HYDROXYMETHYL-N-(2-METHOXYETHYL)-DAUNOMYCIN
著者Saminadin, P, Dautant, A, Mondon, M, Langlois D'Estaintot, B, Courseille, C, Precigoux, G.
登録日1999-07-27
公開日1999-09-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Release of the cyano moiety in the crystal structure of N-cyanomethyl-N-(2-methoxyethyl)-daunomycin complexed with d(CGATCG).
Eur.J.Biochem., 267, 2000
3MAZ
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BU of 3maz by Molmil
Crystal Structure of the Human BRDG1/STAP-1 SH2 Domain in Complex with the NTAL pTyr136 Peptide
分子名称: CheD family protein, MALONATE ION, Signal-transducing adaptor protein 1
著者Kaneko, T, Huang, H, Zhao, B, Li, L, Liu, H, Voss, C.K, Wu, C, Schiller, M.R, Li, S.S.
登録日2010-03-24
公開日2010-05-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Loops govern SH2 domain specificity by controlling access to binding pockets.
Sci.Signal., 3, 2010
2XB2
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BU of 2xb2 by Molmil
Crystal structure of the core Mago-Y14-eIF4AIII-Barentsz-UPF3b assembly shows how the EJC is bridged to the NMD machinery
分子名称: EUKARYOTIC INITIATION FACTOR 4A-III, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Buchwald, G, Ebert, J, Basquin, C, Sauliere, J, Jayachandran, U, Bono, F, Le Hir, H, Conti, E.
登録日2010-04-03
公開日2010-05-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Insights Into the Recruitment of the Nmd Machinery from the Crystal Structure of a Core Ejc-Upf3B Complex.
Proc.Natl.Acad.Sci.USA, 107, 2010
4AA6
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The oestrogen receptor recognizes an imperfectly palindromic response element through an alternative side-chain conformation
分子名称: 5'-D(*CP*TP*AP*AP*GP*TP*CP*AP*CP*AP*GP*TP*GP*AP *CP*CP*TP*G)-3', 5'-D(*TP*CP*AP*GP*GP*TP*CP*AP*CP*TP*GP*TP*GP*AP *CP*TP*TP*A)-3', ESTROGEN RECEPTOR, ...
著者Schwabe, J.W, Chapman, L, Rhodes, D.
登録日2011-11-30
公開日2011-12-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The oestrogen receptor recognizes an imperfectly palindromic response element through an alternative side-chain conformation.
Structure, 3, 1995
4A6B
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Stereoselective Synthesis, X-ray Analysis, and Biological Evaluation of a New Class of Lactam Based HIV-1 Protease Inhibitors
分子名称: METHYL ((S)-1-(2-([1,1'-BIPHENYL]-4-YLMETHYL)-2-(3-((3S,4S)-3-BENZYL-4-HYDROXY-1-((1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL)-2-OXOPYRROLIDIN-3-YL)PROPYL)HYDRAZINYL)-3,3-DIMETHYL-1-OXOBUTAN-2-YL)CARBAMATE, POL PROTEIN
著者Wu, X, Ohrngren, P, Joshi, A.A, Trejos, A, Persson, M, Unge, J, Arvela, R.K, Wallberg, H, Vrang, L, Rosenquist, A, Samuelsson, B.B, Unge, J, Larhed, M.
登録日2011-11-01
公開日2012-05-09
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Synthesis, X-Ray Analysis, and Biological Evaluation of a New Class of Stereopure Lactam-Based HIV-1 Protease Inhibitors.
J.Med.Chem., 55, 2012

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