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2HX2
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Bovine eNOS heme domain complexed with (4S)-N-{4-Amino-5-[(2-aminoethyl)-hydroxyamino]-pentyl}-N'-nitroguanidine
分子名称: (4S)-N-{4-AMINO-5-[(2-AMINOETHYL)(HYDROXYAMINO]-PENTYL}-N'-NITROGUANIDINE, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
著者Igarashi, J, Li, H, Poulos, T.L.
登録日2006-08-02
公開日2007-04-24
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure-Based Design and Synthesis of N(omega)-Nitro-l-Arginine-Containing Peptidomimetics as Selective Inhibitors of Neuronal Nitric Oxide Synthase. Displacement of the Heme Structural Water.
J.Med.Chem., 50, 2007
2HX3
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BU of 2hx3 by Molmil
Rat nNOS heme domain complexed with (4S)-N-{4-Amino-5-[(2-aminoethyl)-hydroxyamino]-pentyl}-N'-nitroguanidine
分子名称: (4S)-N-{4-AMINO-5-[(2-AMINOETHYL)(HYDROXYAMINO]-PENTYL}-N'-NITROGUANIDINE, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
著者Igarashi, J, Li, H, Poulos, T.L.
登録日2006-08-02
公開日2007-04-24
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Based Design and Synthesis of N(omega)-Nitro-l-Arginine-Containing Peptidomimetics as Selective Inhibitors of Neuronal Nitric Oxide Synthase. Displacement of the Heme Structural Water.
J.Med.Chem., 50, 2007
2JH6
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BU of 2jh6 by Molmil
Human Thrombin Hirugen Inhibitor complex
分子名称: 2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHANESULFONAMIDE, CALCIUM ION, HIRUDIN IIIA, ...
著者Senger, S, Chan, C, Convery, M.A, Hubbard, J.A, Young, R.J, Shah, G.P, Watson, N.S.
登録日2007-02-20
公開日2007-05-08
最終更新日2013-08-07
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Sulfonamide-Related Conformational Effects and Their Importance in Structure-Based Design.
Bioorg.Med.Chem.Lett., 17, 2007
2LEG
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BU of 2leg by Molmil
Membrane protein complex DsbB-DsbA structure by joint calculations with solid-state NMR and X-ray experimental data
分子名称: Disulfide bond formation protein B, Thiol:disulfide interchange protein DsbA, UBIQUINONE-1, ...
著者Tang, M, Sperling, L.J, Berthold, D.A, Schwieters, C.D, Nesbitt, A.E, Nieuwkoop, A.J, Gennis, R.B, Rienstra, C.M.
登録日2011-06-15
公開日2011-10-26
最終更新日2023-06-14
実験手法SOLID-STATE NMR
主引用文献High-resolution membrane protein structure by joint calculations with solid-state NMR and X-ray experimental data.
J.Biomol.Nmr, 51, 2011
2HDS
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BU of 2hds by Molmil
AmpC beta-lactamase in complex with 4-Methanesulfonylamino benzoic acid
分子名称: 4-[(METHYLSULFONYL)AMINO]BENZOIC ACID, Beta-lactamase, PHOSPHATE ION, ...
著者Babaoglu, K, Shoichet, B.K.
登録日2006-06-20
公開日2006-11-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Deconstructing fragment-based inhibitor discovery
Nat.Chem.Biol., 2, 2006
3UVF
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BU of 3uvf by Molmil
Expanding LAGALIDADG endonuclease scaffold diversity by rapidly surveying evolutionary sequence space
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, Intron-encoded DNA endonuclease I-HjeMI, ...
著者Jacoby, K, Metzger, M, Shen, B, Jarjour, J, Stoddard, B, Scharenberg, A.
登録日2011-11-29
公開日2012-02-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Expanding LAGLIDADG endonuclease scaffold diversity by rapidly surveying evolutionary sequence space.
Nucleic Acids Res., 40, 2012
2LR1
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BU of 2lr1 by Molmil
Structural Mechanism for Bax Inhibition by Cytomegalovirus Protein vMIA
分子名称: Apoptosis regulator BAX, Immediate early glycoprotein
著者Ma, J.
登録日2012-03-20
公開日2012-12-05
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural mechanism of Bax inhibition by cytomegalovirus protein vMIA.
Proc.Natl.Acad.Sci.USA, 109, 2012
2L7L
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BU of 2l7l by Molmil
Solution structure of Ca2+/calmodulin complexed with a peptide representing the calmodulin-binding domain of calmodulin kinase I
分子名称: CALCIUM ION, Calcium/calmodulin-dependent protein kinase type 1, Calmodulin
著者Gifford, J.L, Ishida, H, Vogel, H.J.
登録日2010-12-13
公開日2011-05-18
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Fast methionine-based solution structure determination of calcium-calmodulin complexes.
J.Biomol.Nmr, 50, 2011
2L78
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BU of 2l78 by Molmil
DESIGN AND STRUCTURAL ANALYSIS OF ALTERNATIVE HYDROPHOBIC CORE PACKING ARRANGEMENTS IN BACTERIOPHAGE T4 LYSOZYME
分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, T4 LYSOZYME
著者Hurley, J.H, Matthews, B.W.
登録日1992-01-22
公開日1993-04-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design and structural analysis of alternative hydrophobic core packing arrangements in bacteriophage T4 lysozyme.
J.Mol.Biol., 224, 1992
3VK8
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BU of 3vk8 by Molmil
Crystal structure of DNA-glycosylase bound to DNA containing Thymine glycol
分子名称: DNA (5'-D(*CP*GP*TP*CP*CP*AP*(CTG)P*GP*TP*CP*TP*AP*C)-3'), DNA (5'-D(*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*G)-3'), GLYCEROL, ...
著者Imamura, K, Averill, A, Wallace, S.S, Doublie, S.
登録日2011-11-10
公開日2011-12-14
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural characterization of viral ortholog of human DNA glycosylase NEIL1 bound to thymine glycol or 5-hydroxyuracil-containing DNA
J.Biol.Chem., 287, 2012
2D4U
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BU of 2d4u by Molmil
Crystal Structure of the ligand binding domain of the bacterial serine chemoreceptor Tsr
分子名称: Methyl-accepting chemotaxis protein I
著者Imada, K, Tajima, H, Namba, K, Sakuma, M, Homma, M, Kawagishi, I.
登録日2005-10-24
公開日2006-11-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Ligand specificity determined by differentially arranged common ligand-binding residues in the bacterial amino acid chemoreceptors Tsr and Tar.
J.Biol.Chem., 2011
4LUO
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BU of 4luo by Molmil
Fragment-Based Discovery of a Potent Inhibitor of Replication Protein A Protein-Protein Interactions
分子名称: 1-(3-methylphenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid, Replication protein A 70 kDa DNA-binding subunit
著者Feldkamp, M.D, Frank, A.O, Kennedy, J.P, Waterson, A.G, Olejniczak, E.T, Pelz, N.F, Patrone, J.D, Vangamudi, B, Camper, D.V, Rossanese, O.W, Fesik, S.W, Chazin, W.J.
登録日2013-07-25
公開日2013-12-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Discovery of a potent inhibitor of replication protein a protein-protein interactions using a fragment-linking approach.
J.Med.Chem., 56, 2013
2RAW
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BU of 2raw by Molmil
Crystal structure of the Borealin-Survivin complex
分子名称: Baculoviral IAP repeat-containing protein 5, Borealin, ZINC ION
著者Hymowitz, S.G.
登録日2007-09-17
公開日2007-10-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The mitotic regulator Survivin binds as a monomer to its functional interactor Borealin.
J.Biol.Chem., 282, 2007
5HIW
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BU of 5hiw by Molmil
Sorangium cellulosum So Ce56 cytochrome P450 260B1
分子名称: Cytochrome P450 CYP260B1, MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE
著者Salamanca-Pinzon, S.G, Carius, Y, Khatri, Y, Bernhardt, R, Lancaster, C.R.D.
登録日2016-01-12
公開日2016-08-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure-function analysis for the hydroxylation of Delta 4 C21-steroids by the myxobacterial CYP260B1.
Febs Lett., 590, 2016
4LRA
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BU of 4lra by Molmil
Phosphopentomutase S154G variant
分子名称: GLYCEROL, MANGANESE (II) ION, Phosphopentomutase
著者Birmingham, W.A, Starbird, C.A, Panosian, T.D, Nannemann, D.P, Iverson, T.M, Bachmann, B.O.
登録日2013-07-19
公開日2013-07-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Bioretrosynthetic construction of a didanosine biosynthetic pathway.
Nat.Chem.Biol., 10, 2014
4LV7
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BU of 4lv7 by Molmil
Crystal structure of inositol 1,3,4,5,6-pentakisphosphate 2-kinase E82C/S142C
分子名称: ADENOSINE-5'-DIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, Inositol-pentakisphosphate 2-kinase, ...
著者Gosein, V, Miller, G.J.
登録日2013-07-26
公開日2013-11-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Conformational stability of inositol 1,3,4,5,6-pentakisphosphate 2-kinase (IPK1) dictates its substrate selectivity.
J. Biol. Chem., 288, 2013
2RBL
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BU of 2rbl by Molmil
High resolution design of a protein loop
分子名称: Tenascin
著者Hu, X, Wang, H, Ke, H, Kuhlman, B.
登録日2007-09-19
公開日2007-11-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献High-resolution design of a protein loop.
Proc.Natl.Acad.Sci.Usa, 104, 2007
4UNM
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BU of 4unm by Molmil
Structure of Galactose Oxidase homologue from Streptomyces lividans
分子名称: ACETATE ION, COPPER (II) ION, SECRETED PROTEIN
著者Chaplin, A.K, Hough, M.A, Worrall, J.A.R.
登録日2014-05-29
公開日2015-06-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Glxa is a New Structural Member of the Radical Copper Oxidase Family and is Required for Glycan Deposition at Hyphal Tips and Morphogenesis of Streptomyces Lividans.
Biochem.J., 469, 2015
4MCK
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BU of 4mck by Molmil
Crystal structure of Family GH19, Class IV chitinase from Zea mays
分子名称: Chitinase
著者Chaudet, M.M, Rose, D.R.
登録日2013-08-21
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystallographic structure of ChitA, a glycoside hydrolase family 19, plant class IV chitinase from Zea mays.
Protein Sci., 23, 2014
5XHN
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BU of 5xhn by Molmil
Crystal structure of Frog M-ferritin K104E mutant
分子名称: CHLORIDE ION, Ferritin, middle subunit, ...
著者Jagdev, M.K, Vasudevan, D.
登録日2017-04-21
公開日2017-08-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Surface charge dependent separation of modified and hybrid ferritin in native PAGE: Impact of lysine 104
Biochim. Biophys. Acta, 1865, 2017
5HQX
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BU of 5hqx by Molmil
Crystal structure of maize cytokinin oxidase/dehydrogenase 4 (ZmCKO4) in complex with phenylurea inhibitor HETDZ
分子名称: 1-[2-(2-hydroxyethyl)phenyl]-3-(1,2,3-thiadiazol-5-yl)urea, Cytokinin dehydrogenase 4, FLAVIN-ADENINE DINUCLEOTIDE
著者Kopecny, D, Koncitikova, R, Briozzo, P.
登録日2016-01-22
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Novel thidiazuron-derived inhibitors of cytokinin oxidase/dehydrogenase.
Plant Mol.Biol., 92, 2016
4LRD
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BU of 4lrd by Molmil
Phosphopentomutase 4H11 variant
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, MANGANESE (II) ION, ...
著者Birmingham, W.A, Starbird, C.A, Panosian, T.D, Nannemann, D.P, Iverson, T.M, Bachmann, B.O.
登録日2013-07-19
公開日2013-07-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Bioretrosynthetic construction of a didanosine biosynthetic pathway.
Nat.Chem.Biol., 10, 2014
5HV9
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BU of 5hv9 by Molmil
Human LTC4S mutant-S36E
分子名称: GLUTATHIONE, Leukotriene C4 synthase, SULFATE ION
著者Thulasingam, M, Ahmad, H.R.S, Rinaldo-Matthis, A, Haeggstrom, J.Z.
登録日2016-01-28
公開日2016-07-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Phosphorylation of Leukotriene C4 Synthase at Serine 36 Impairs Catalytic Activity.
J.Biol.Chem., 291, 2016
5HWE
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BU of 5hwe by Molmil
high resolution structure of barbiturase
分子名称: (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, Barbiturase, MAGNESIUM ION, ...
著者Peat, T.S, Scott, C.
登録日2016-01-29
公開日2017-02-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献High-Resolution X-Ray Structures of Two Functionally Distinct Members of the Cyclic Amide Hydrolase Family of Toblerone Fold Enzymes.
Appl. Environ. Microbiol., 83, 2017
4ZX2
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BU of 4zx2 by Molmil
Co-crystal structures of PP5 in complex with 5-methyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
分子名称: (1S,2R,3S,4R,5S)-5-methyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ...
著者Chattopadhyay, D, Swingle, M.R, Salter, E.A, Wierzbicki, A, Honkanen, R.E.
登録日2015-05-19
公開日2016-04-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Crystal structures and mutagenesis of PPP-family ser/thr protein phosphatases elucidate the selectivity of cantharidin and novel norcantharidin-based inhibitors of PP5C.
Biochem. Pharmacol., 109, 2016

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