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3NX5
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The crystal structure of Sanguinarine bound to DNA d(CGTACG)
分子名称: 13-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium, 5'-D(*CP*GP*TP*AP*CP*G)-3', CALCIUM ION
著者Ferraroni, M, Bazzicalupi, C, Gratteri, P, Bilia, A.R.
登録日2010-07-13
公開日2011-05-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献X-Ray diffraction analyses of the natural isoquinoline alkaloids Berberine and Sanguinarine complexed with double helix DNA d(CGTACG)
Chem.Commun.(Camb.), 47, 2011
2MLE
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BU of 2mle by Molmil
NMR structure of the C-domain of troponin C bound to the anchoring region of troponin I
分子名称: CALCIUM ION, Troponin C, slow skeletal and cardiac muscles
著者Robertson, I.M, Baryshnikova, O.K, Mercier, P, Sykes, B.D.
登録日2014-02-26
公開日2014-03-12
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The dilated cardiomyopathy G159D mutation in cardiac troponin C weakens the anchoring interaction with troponin I.
Biochemistry, 47, 2008
1ONB
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BU of 1onb by Molmil
Solution structure of an engineered arginine-rich subdomain 2 of the hepatitis C virus NS3 RNA helicase
分子名称: helicase NS3
著者Liu, D, Wang, Y.S, Gesell, J.J, Wyss, D.F.
登録日2003-02-27
公開日2003-03-11
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure and backbone dynamics of an engineered arginine-rich subdomain 2 of the hepatitis C virus NS3 RNA helicase
J.Mol.Biol., 314, 2001
2C4X
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BU of 2c4x by Molmil
Structural basis for the promiscuous specificity of the carbohydrate- binding modules from the beta-sandwich super family
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, ENDOGLUCANASE
著者Najmudin, S, Guerreiro, C.I.P.D, Carvalho, A.L, Bolam, D.N, Prates, J.A.M, Correia, M.A.S, Alves, V.D, Ferreira, L.M.A, Romao, M.J, Gilbert, H.J, Fontes, C.M.G.A.
登録日2005-10-25
公開日2005-10-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Xyloglucan is Recognized by Carbohydrate-Binding Modules that Interact with Beta-Glucan Chains.
J.Biol.Chem., 281, 2006
4EIQ
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BU of 4eiq by Molmil
Chromopyrrolic acid-soaked RebC-10x with bound 7-carboxy-K252c
分子名称: (5S)-7-oxo-6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5-carboxylic acid, Putative FAD-monooxygenase
著者Goldman, P.J, Ryan, K.S, Howard-Jones, A.R, Hamill, M.J, Elliott, S.J, Walsh, C.T, Drennan, C.L.
登録日2012-04-05
公開日2012-08-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献An Unusual Role for a Mobile Flavin in StaC-like Indolocarbazole Biosynthetic Enzymes.
Chem.Biol., 19, 2012
1K8F
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BU of 1k8f by Molmil
CRYSTAL STRUCTURE OF THE HUMAN C-TERMINAL CAP1-ADENYLYL CYCLASE ASSOCIATED PROTEIN
分子名称: ADENYLYL CYCLASE-ASSOCIATED PROTEIN
著者Patskovsky, Y.V, Chance, M, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2001-10-24
公開日2003-07-01
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of the actin binding domain of the cyclase-associated protein.
Biochemistry, 43, 2004
4ED4
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BU of 4ed4 by Molmil
Crystal structure of IspE (4-diphosphocytidyl-2-C-methyl-D-erythritol kinase) from Mycobacterium abcessus, bound to ATP
分子名称: 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase, ADENOSINE-5'-TRIPHOSPHATE
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-03-26
公開日2012-04-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
1KA7
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BU of 1ka7 by Molmil
SAP/SH2D1A bound to peptide n-Y-c
分子名称: SH2 DOMAIN PROTEIN 1A, peptide n-Y-c
著者Hwang, P.M, Li, C, Morra, M, Lillywhite, J, Gertler, F, Terhorst, C, Kay, L.E, Pawson, T, Forman-Kay, J, Li, S.-C.
登録日2001-10-31
公開日2001-11-07
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献A "three-pronged" binding mechanism for the SAP/SH2D1A SH2 domain: structural basis and relevance to the XLP syndrome.
EMBO J., 21, 2002
5UEO
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BU of 5ueo by Molmil
BRD4_BD2_A-1395017
分子名称: Bromodomain-containing protein 4, N-[4-(2,4-difluorophenoxy)-3-(1-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)phenyl]ethanesulfonamide
著者Park, C.H.
登録日2017-01-03
公開日2017-06-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Complex structure of BRD4_BD2_A-1395017
To Be Published
4KU1
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BU of 4ku1 by Molmil
Role of the hinge and C-gamma-2/C-gamma-3 interface in immunoglobin G1 Fc domain motions: implications for Fc engineering
分子名称: Ig gamma-1 chain C region, TETRAETHYLENE GLYCOL, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Frank, M, Walker, R, Lanzilotta, W.N, Prestegard, J.H, Barb, A.W.
登録日2013-05-21
公開日2014-02-19
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Immunoglobulin g1 fc domain motions: implications for fc engineering.
J.Mol.Biol., 426, 2014
4DXL
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BU of 4dxl by Molmil
Crystal structure of IspE (4-diphosphocytidyl-2-C-methyl-D-erythritol kinase) from Mycobacterium abscessus, bound to CMP and ATP
分子名称: 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-02-27
公開日2012-03-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
7X5D
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BU of 7x5d by Molmil
Crystal Structure of the K316C mutant of Human Lamin A/C Coil 2 (residues 244-340)
分子名称: Lamin-A/C
著者Ahn, J, Jo, I, Ha, N.-C.
登録日2022-03-04
公開日2023-03-08
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Atomic structure of the antiparallel four-helix bundle interactions for the formation of lamin filament
To Be Published
3M5M
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BU of 3m5m by Molmil
Avoiding drug resistance against HCV NS3/4A protease inhibitors
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FDEMEEC Peptide, NS3/4A, ...
著者Schiffer, C.A, Romano, K.P.
登録日2010-03-12
公開日2010-11-24
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Drug resistance against HCV NS3/4A inhibitors is defined by the balance of substrate recognition versus inhibitor binding.
Proc.Natl.Acad.Sci.USA, 107, 2010
4LCJ
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BU of 4lcj by Molmil
CtBP2 in complex with substrate MTOB
分子名称: 4-(METHYLSULFANYL)-2-OXOBUTANOIC ACID, C-terminal-binding protein 2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Hilbert, B.J, Schiffer, C.A, Royer Jr, W.E.
登録日2013-06-21
公開日2014-03-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Crystal structures of human CtBP in complex with substrate MTOB reveal active site features useful for inhibitor design.
Febs Lett., 588, 2014
4JQF
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BU of 4jqf by Molmil
Structure of the C-terminal domain of human telomeric Stn1
分子名称: CST complex subunit STN1
著者Bryan, C.F, Rice, C.T, Harkisheimer, M, Schultz, D, Skordalakes, E.
登録日2013-03-20
公開日2013-06-05
最終更新日2013-07-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of the human telomeric stn1-ten1 capping complex.
Plos One, 8, 2013
4DAI
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BU of 4dai by Molmil
Crystal structure of B. anthracis DHPS with compound 23
分子名称: (7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)acetic acid, Dihydropteroate Synthase, SULFATE ION
著者Hammoudeh, D, Lee, R.E, White, S.W.
登録日2012-01-12
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-Based Design of Novel Pyrimido[4,5-c]pyridazine Derivatives as Dihydropteroate Synthase Inhibitors with Increased Affinity.
Chemmedchem, 7, 2012
4EMD
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BU of 4emd by Molmil
Crystal structure of IspE (4-diphosphocytidyl-2-C-methyl-D-erythritol kinase) from Mycobacterium abcessus, bound to CMP and SO4
分子名称: 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase, CYTIDINE-5'-MONOPHOSPHATE, SULFATE ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-04-11
公開日2012-04-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
7VMW
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BU of 7vmw by Molmil
Crystal structure of LimF prenyltransferase bound with a peptide substrate and GSPP
分子名称: GERANYL S-THIOLODIPHOSPHATE, LynF/TruF/PatF family peptide O-prenyltransferase, MAGNESIUM ION, ...
著者Hamada, K, Kobayashi, S, Okada, C, Zhang, Y, Inoue, S, Goto, Y, Suga, H, Ogata, K, Sengoku, T.
登録日2021-10-09
公開日2022-08-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献LimF is a versatile prenyltransferase for histidine-C-geranylation on diverse non-natural substrates
Nat Catal, 2022
4ALG
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BU of 4alg by Molmil
N-Terminal Bromodomain of Human BRD2 With IBET-151
分子名称: 7-(3,5-DIMETHYL-1,2-OXAZOL-4-YL)-8-METHOXY-1-[(1R)-1-(PYRIDIN-2-YL)ETHYL]-1H,2H,3H-IMIDAZO[4,5-C]QUINOLIN-2-ONE, ACETATE ION, BROMODOMAIN-CONTAINING PROTEIN 2, ...
著者Chung, C, Lamotte, Y, Donche, F, Bouillot, A, Mirguet, O.
登録日2012-03-03
公開日2012-07-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Identification of a Novel Series of Bet Family Bromodomain Inhibitors: Binding Mode and Profile of I-Bet151 (Gsk1210151A).
Bioorg.Med.Chem.Lett., 22, 2012
2O2P
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BU of 2o2p by Molmil
Crystal structure of the C-terminal domain of rat 10'formyltetrahydrofolate dehydrogenase
分子名称: Formyltetrahydrofolate dehydrogenase, GLYCEROL, SULFATE ION
著者Tsybovsky, Y, Donato, H, Krupenko, N.I, Davies, C, Krupenko, S.A.
登録日2006-11-30
公開日2007-03-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structures of the carboxyl terminal domain of rat 10-formyltetrahydrofolate dehydrogenase: implications for the catalytic mechanism of aldehyde dehydrogenases.
Biochemistry, 46, 2007
4NT6
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BU of 4nt6 by Molmil
HLA-C*0801 Crystal Structure
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, Cw-8 alpha chain, ...
著者Liu, J.X, Toh, X.Y, Ren, E.C.
登録日2013-12-01
公開日2014-07-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献The immunodominant influenza A virus M158-66 cytotoxic T lymphocyte epitope exhibits degenerate class I major histocompatibility complex restriction in humans.
J.Virol., 88, 2014
1C0V
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BU of 1c0v by Molmil
SUBUNIT C OF THE F1FO ATP SYNTHASE OF ESCHERICHIA COLI; NMR, 10 STRUCTURES
分子名称: PROTEIN (F1FO ATPASE SUBUNIT C)
著者Girvin, M.E, Rastogi, V.K, Abildgaard, F, Markley, J.L, Fillingame, R.H.
登録日1999-07-22
公開日1999-08-18
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Solution structure of the transmembrane H+-transporting subunit c of the F1F0 ATP synthase.
Biochemistry, 37, 1998
1UCH
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BU of 1uch by Molmil
DEUBIQUITINATING ENZYME UCH-L3 (HUMAN) AT 1.8 ANGSTROM RESOLUTION
分子名称: UBIQUITIN C-TERMINAL HYDROLASE UCH-L3
著者Johnston, S.C, Larsen, C.N, Cook, W.J, Wilkinson, K.D, Hill, C.P.
登録日1997-10-06
公開日1998-01-28
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of a deubiquitinating enzyme (human UCH-L3) at 1.8 A resolution.
EMBO J., 16, 1997
5UVX
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BU of 5uvx by Molmil
BRD4 Bromodomain 2 with A-1359643
分子名称: Bromodomain-containing protein 4, N-[3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxyphenyl]methanesulfonamide
著者Park, C.H.
登録日2017-02-20
公開日2017-06-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献BRD4 Bromodomain 2 with A-1359643
To Be Published
2O2R
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BU of 2o2r by Molmil
Crystal structure of the C-terminal domain of rat 10'formyltetrahydrofolate dehydrogenase in complex with NADPH
分子名称: Formyltetrahydrofolate dehydrogenase, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Tsybovsky, Y, Donato, H, Krupenko, N.I, Davies, C, Krupenko, S.A.
登録日2006-11-30
公開日2007-03-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of the carboxyl terminal domain of rat 10-formyltetrahydrofolate dehydrogenase: implications for the catalytic mechanism of aldehyde dehydrogenases.
Biochemistry, 46, 2007

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