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3UFS
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BU of 3ufs by Molmil
Structure of rat nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-((5-(3-chloro-5-fluorophenyl)pentyl)oxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-{[5-(3-chloro-5-fluorophenyl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2011-11-01
公開日2012-07-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.971 Å)
主引用文献Selective monocationic inhibitors of neuronal nitric oxide synthase. Binding mode insights from molecular dynamics simulations.
J.Am.Chem.Soc., 134, 2012
4PKA
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BU of 4pka by Molmil
Crystal structure of patatin aged with diisopropylphosphorofluoridate
分子名称: Patatin-17
著者Wijeyesakere, S.J, Richardson, R.J, Stuckey, J.A.
登録日2014-05-14
公開日2014-10-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structure of Patatin-17 in Complex with Aged and Non-Aged Organophosphorus Compounds.
Plos One, 9, 2014
3V0P
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BU of 3v0p by Molmil
Crystal structure of the Fucosylgalactoside alpha N-acetylgalactosaminyltransferase (GTA, cisAB mutant L266G, G268A) in complex with a novel UDP-Gal derived inhibitor (4GW) and H-antigen acceptor
分子名称: 5-(5-formylthiophen-2-yl)uridine 5'-(trihydrogen diphosphate), Histo-blood group ABO system transferase, MANGANESE (II) ION, ...
著者Palcic, M.M, Jorgensen, R.
登録日2011-12-08
公開日2013-01-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Base-modified Donor Analogues Reveal Novel Dynamic Features of a Glycosyltransferase.
J.Biol.Chem., 288, 2013
4POC
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BU of 4poc by Molmil
Structure of Triosephosphate Isomerase Wild Type human enzyme.
分子名称: BROMIDE ION, PHOSPHATE ION, POTASSIUM ION, ...
著者Amrich, C.G, Aslam, A.A, Heroux, A, VanDemark, A.P.
登録日2014-02-25
公開日2015-01-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Triosephosphate isomerase I170V alters catalytic site, enhances stability and induces pathology in a Drosophila model of TPI deficiency.
Biochim.Biophys.Acta, 1852, 2015
4PUB
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BU of 4pub by Molmil
Crystal structure of Fab DX-2930
分子名称: CHLORIDE ION, DX-2930 HEAVY CHAIN, DX-2930 LIGHT CHAIN
著者Abendroth, J, Edwards, T.E, Nixon, A, Ladner, R.
登録日2014-03-12
公開日2014-07-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Inhibition of plasma kallikrein by a highly specific active site blocking antibody.
J.Biol.Chem., 289, 2014
3ZE5
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BU of 3ze5 by Molmil
Crystal structure of the integral membrane diacylglycerol kinase - delta4
分子名称: DIACYLGLYCEROL KINASE
著者Li, D, Vogeley, L, Pye, V.E, Lyons, J.A, Aragao, D, Caffrey, M.
登録日2012-12-03
公開日2013-05-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.101 Å)
主引用文献Crystal Structure of the Integral Membrane Diacylglycerol Kinase.
Nature, 497, 2013
3ZE3
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BU of 3ze3 by Molmil
Crystal structure of the integral membrane diacylglycerol kinase - delta7
分子名称: (2R)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, ACETATE ION, ...
著者Li, D, Pye, V.E, Lyons, J.A, Vogeley, L, Aragao, D, Caffrey, M.
登録日2012-12-03
公開日2013-05-22
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal Structure of the Integral Membrane Diacylglycerol Kinase.
Nature, 497, 2013
3ZE4
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BU of 3ze4 by Molmil
Crystal structure of the integral membrane diacylglycerol kinase - wild-type
分子名称: DIACYLGLYCEROL KINASE
著者Li, D, Lyons, J.A, Pye, V.E, Vogeley, L, Aragao, D, Caffrey, M.
登録日2012-12-03
公開日2013-05-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.702 Å)
主引用文献Crystal Structure of the Integral Membrane Diacylglycerol Kinase.
Nature, 497, 2013
3SW2
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BU of 3sw2 by Molmil
X-ray crystal structure of human FXA in complex with 6-chloro-N-((3S)-2-oxo-1-(2-oxo-2-((5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)ethyl)piperidin-3-yl)naphthalene-2-sulfonamide
分子名称: 6-chloro-N-((3S)-2-oxo-1-(2-oxo-2-((5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)ethyl)piperidin-3-yl)naphthalene-2-sulfonamide, CALCIUM ION, Coagulation factor X, ...
著者Klei, H.E.
登録日2011-07-13
公開日2011-11-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Arylsulfonamidopiperidone derivatives as a novel class of factor Xa inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3ZD0
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BU of 3zd0 by Molmil
The Solution Structure of Monomeric Hepatitis C Virus p7 Yields Potent Inhibitors of Virion Release
分子名称: P7 PROTEIN
著者Foster, T.L, Sthompson, G, Kalverda, A.P, Kankanala, J, Thompson, J, Barker, A.M, Clarke, D, Noerenberg, M, Pearson, A.R, Rowlands, D.J, Homans, S.W, Harris, M, Foster, R, Griffin, S.D.C.
登録日2012-11-23
公開日2013-09-04
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Structure-Guided Design Affirms Inhibitors of Hepatitis C Virus P7 as a Viable Class of Antivirals Targeting Virion Release
Hepatology, 59, 2014
3SDJ
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BU of 3sdj by Molmil
Structure of RNase-inactive point mutant of oligomeric kinase/RNase Ire1
分子名称: N~2~-1H-benzimidazol-5-yl-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine, Serine/threonine-protein kinase/endoribonuclease IRE1
著者Korennykh, A, Korostelev, A, Egea, P, Finer-Moore, J, Zhang, C, Stroud, R, Shokat, K, Walter, P.
登録日2011-06-09
公開日2011-07-13
実験手法X-RAY DIFFRACTION (3.65 Å)
主引用文献Structural and functional basis for RNA cleavage by Ire1.
Bmc Biol., 9, 2011
2WNK
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BU of 2wnk by Molmil
Structure of SporoSAG from Toxoplasma gondii
分子名称: SPOROZOITE-SPECIFIC SAG PROTEIN
著者Crawford, J, Lamb, E, Grujic, O, Grigg, M.E, Boulanger, M.J.
登録日2009-07-09
公開日2010-02-02
最終更新日2019-04-03
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural and Functional Characterization of Sporosag: A Sag2 Related Surface Antigen from Toxoplasma Gondii.
J.Biol.Chem., 285, 2010
3SGS
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BU of 3sgs by Molmil
Amyloid-related segment of alphaB-crystallin residues 95-100
分子名称: Alpha-crystallin B chain
著者Laganowsky, A, Sawaya, M.R, Cascio, D, Eisenberg, D.
登録日2011-06-15
公開日2012-03-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.703 Å)
主引用文献Atomic view of a toxic amyloid small oligomer.
Science, 335, 2012
4QXX
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BU of 4qxx by Molmil
Structure of the amyloid forming peptide GNLVS (residues 26-30) from the eosinophil major basic protein (EMBP)
分子名称: Bone marrow proteoglycan
著者Soriaga, A.B, Soragni, A, Sawaya, M.R, Eisenberg, D.
登録日2014-07-22
公開日2015-03-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.445 Å)
主引用文献Toxicity of Eosinophil MBP Is Repressed by Intracellular Crystallization and Promoted by Extracellular Aggregation.
Mol.Cell, 57, 2015
2Z3C
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BU of 2z3c by Molmil
A Mechanistic view of Enzyme Inhibition and Peptide Hydrolysis in the Active Site of the SARS-CoV 3C-Like peptidase
分子名称: GLYCEROL, Replicase polyprotein 1ab (pp1ab), inhibitor
著者Yin, J.
登録日2007-06-04
公開日2007-07-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献A mechanistic view of enzyme inhibition and peptide hydrolysis in the active site of the SARS-CoV 3C-like peptidase
J.Mol.Biol., 371, 2007
3S6C
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BU of 3s6c by Molmil
Structure of human CD1e
分子名称: Beta-2-microglobulin, T-cell surface glycoprotein CD1e, membrane-associated, ...
著者Garcia-Alles, L.F, Maveyraud, L, Tranier, S, Mourey, L.
登録日2011-05-25
公開日2011-07-20
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of human CD1e reveals a groove suited for lipid-exchange processes.
Proc.Natl.Acad.Sci.USA, 108, 2011
3S6I
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BU of 3s6i by Molmil
Schizosaccaromyces pombe 3-methyladenine DNA glycosylase (Mag1) in complex with abasic-DNA.
分子名称: (5'-D(*AP*AP*GP*AP*CP*TP*TP*GP*GP*AP*C)-3'), (5'-D(*TP*GP*TP*CP*CP*AP*(3DR)P*GP*TP*CP*T)-3'), DNA-3-methyladenine glycosylase 1, ...
著者Adhikary, S, Eichman, B.F.
登録日2011-05-25
公開日2011-12-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Analysis of substrate specificity of Schizosaccharomyces pombe Mag1 alkylpurine DNA glycosylase.
Embo Rep., 12, 2011
3SY3
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BU of 3sy3 by Molmil
GBAA_1210 protein, a putative adenylate cyclase, from Bacillus anthracis
分子名称: GBAA_1210 protein, PHOSPHATE ION
著者Osipiuk, J, Gu, M, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2011-07-15
公開日2011-07-27
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献GBAA_1210 protein, a putative adenylate cyclase, from Bacillus anthracis.
To be Published
3WXB
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BU of 3wxb by Molmil
Crystal structure of NADPH bound carbonyl reductase from chicken fatty liver
分子名称: 1,2-ETHANEDIOL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Uncharacterized protein
著者Yoneda, K, Sakuraba, H, Fukuda, Y, Sone, T, Araki, T, Ohshima, T.
登録日2014-07-29
公開日2015-07-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献A novel NAD(P)H-dependent carbonyl reductase specifically expressed in the thyroidectomized chicken fatty liver: catalytic properties and crystal structure.
Febs J., 282, 2015
2ZU2
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BU of 2zu2 by Molmil
complex structure of CoV 229E 3CL protease with EPDTC
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 3C-like proteinase, zinc(II)hydrogensulfide
著者Lee, C.C, Wang, A.H.-J.
登録日2008-10-12
公開日2009-01-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Basis of Inhibition Specificities of 3C and 3C-like Proteases by Zinc-coordinating and Peptidomimetic Compounds
J.Biol.Chem., 284, 2009
4QT6
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BU of 4qt6 by Molmil
Crystal structure of the SPRY domain of human HERC1
分子名称: FORMAMIDE, Probable E3 ubiquitin-protein ligase HERC1, UNKNOWN ATOM OR ION
著者Dong, A, Hu, J, Guan, X, Wernimont, A, Li, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC)
登録日2014-07-07
公開日2015-01-07
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Crystal structure of the SPRY domain of human HERC1
To be Published
4Q4Y
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BU of 4q4y by Molmil
Crystal structure of Coxsackievirus A24v soaked with Disialyllacto-N-tetraose (DSLNT)
分子名称: CALCIUM ION, CHLORIDE ION, Coxsackievirus capsid protein VP1, ...
著者Zocher, G, Stehle, T.
登録日2014-04-15
公開日2014-11-05
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献A sialic Acid binding site in a human picornavirus.
Plos Pathog., 10, 2014
4QDX
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BU of 4qdx by Molmil
Crystal structure of Antigen 85C-C209G mutant
分子名称: Diacylglycerol acyltransferase/mycolyltransferase Ag85C, SULFATE ION
著者Favrot, L, Lajiness, D.H, Ronning, D.R.
登録日2014-05-14
公開日2014-07-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.503 Å)
主引用文献Inactivation of the Mycobacterium tuberculosis Antigen 85 Complex by Covalent, Allosteric Inhibitors.
J.Biol.Chem., 289, 2014
4QEK
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BU of 4qek by Molmil
Crystal structure of Antigen 85C-S124A mutant
分子名称: Diacylglycerol acyltransferase/mycolyltransferase Ag85C, SULFATE ION, alpha-D-glucopyranose
著者Favrot, L, Lajiness, D.H, Ronning, D.R.
登録日2014-05-16
公開日2014-07-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.299 Å)
主引用文献Inactivation of the Mycobacterium tuberculosis Antigen 85 Complex by Covalent, Allosteric Inhibitors.
J.Biol.Chem., 289, 2014
3KAA
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BU of 3kaa by Molmil
Structure of Tim-3 in complex with phosphatidylserine
分子名称: 1,2-DICAPROYL-SN-PHOSPHATIDYL-L-SERINE, CALCIUM ION, Hepatitis A virus cellular receptor 2
著者Ballesteros, A, Santiago, C, Casasnovas, J.M.
登録日2009-10-19
公開日2010-01-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.002 Å)
主引用文献T cell/transmembrane, Ig, and mucin-3 allelic variants differentially recognize phosphatidylserine and mediate phagocytosis of apoptotic cells.
J.Immunol., 184, 2010

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件を2024-08-14に公開中

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