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3L3O
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Staphylococcal Complement Inhibitor (SCIN) in complex with Human Complement Component C3c
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C3, Staphylococcal complement inhibitor
著者Geisbrecht, B.V, Garcia, B.G.
登録日2009-12-17
公開日2010-08-04
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.405 Å)
主引用文献Molecular Basis for Complement Recognition and Inhibition Determined by Crystallographic Studies of the Staphylococcal Complement Inhibitor (SCIN) Bound to C3c and C3b.
J.Mol.Biol., 402, 2010
3L4U
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Crystal complex of N-terminal Human Maltase-Glucoamylase with de-O-sulfonated kotalanol
分子名称: (2R,3S,4S)-1-[(2S,3S,4R,5R,6S)-2,3,4,5,6,7-hexahydroxyheptyl]-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium (non-preferred name), 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Sim, L, Rose, D.R.
登録日2009-12-21
公開日2010-02-09
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献New glucosidase inhibitors from an ayurvedic herbal treatment for type 2 diabetes: structures and inhibition of human intestinal maltase-glucoamylase with compounds from Salacia reticulata.
Biochemistry, 49, 2010
3KYR
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Bace-1 in complex with a norstatine type inhibitor
分子名称: 3-[[(2S)-2-[[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(1H-1,2,3,4-tetrazol-5-ylcarbonylamino)propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]methyl]-2-hydroxy-4-phenyl-butanoyl]amino]benzoic acid, Beta-secretase 1
著者Lindberg, J.D, Borkakoti, N, Derbyshire, D, Nystrom, S.
登録日2009-12-07
公開日2010-12-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Investigation of a-phenylnorstatine and a-benzylnorstatine as transition state isostere motifs in the search for new BACE-1 inhibiotrs
To be Published
3L59
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Structure of BACE Bound to SCH710413
分子名称: (2Z)-3-(3-chlorobenzyl)-2-imino-5,5-dimethylimidazolidin-4-one, Beta-secretase 1, D(-)-TARTARIC ACID
著者Strickland, C, Zhu, Z.
登録日2009-12-21
公開日2010-02-16
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation
J.Med.Chem., 53, 2010
3L04
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Crystal structure of N-acetyl-L-ornithine transcarbamylase E92P mutant complexed with carbamyl phosphate and N-succinyl-L-norvaline
分子名称: N-(3-CARBOXYPROPANOYL)-L-NORVALINE, N-acetylornithine carbamoyltransferase, PHOSPHORIC ACID MONO(FORMAMIDE)ESTER, ...
著者Shi, D, Yu, X, Allewell, N.M, Tuchman, M.
登録日2009-12-09
公開日2010-03-31
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A single mutation in the active site swaps the substrate specificity of N-acetyl-L-ornithine transcarbamylase and N-succinyl-L-ornithine transcarbamylase.
Protein Sci., 16, 2007
3KL5
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BU of 3kl5 by Molmil
Structure Analysis of a Xylanase From Glycosyl Hydrolase Family Thirty: Carbohydrate Ligand Complexes Reveal this Family of Enzymes Unique Mechanism of Substrate Specificity and Recognition
分子名称: 4-O-methyl-alpha-D-glucopyranuronic acid-(1-2)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, Glucuronoxylanase xynC
著者St John, F.J, Hurlbert, J.C, Pozharski, E.
登録日2009-11-06
公開日2010-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Ligand bound structures of a glycosyl hydrolase family 30 glucuronoxylan xylanohydrolase.
J.Mol.Biol., 407, 2011
3L0U
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The crystal structure of unmodified tRNAPhe from Escherichia coli
分子名称: MAGNESIUM ION, POTASSIUM ION, Unmodified tRNAPhe
著者Byrne, R.T, Konevega, A.L, Rodnina, M.V, Antson, A.A.
登録日2009-12-10
公開日2010-03-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The crystal structure of unmodified tRNAPhe from Escherichia coli
Nucleic Acids Res., 38, 2010
3L17
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Discovery of (thienopyrimidin-2-yl)aminopyrimidines as Potent, Selective, and Orally Available Pan-PI3-Kinase and Dual Pan-PI3-Kinase/mTOR Inhibitors for the Treatment of Cancer
分子名称: 4-methyl-5-(6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Murray, J.M, Wiesmann, C.
登録日2009-12-10
公開日2010-02-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Discovery of (Thienopyrimidin-2-yl)aminopyrimidines as Potent, Selective, and Orally Available Pan-PI3-Kinase and Dual Pan-PI3-Kinase/mTOR Inhibitors for the Treatment of Cancer.
J.Med.Chem., 53, 2010
3KNG
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BU of 3kng by Molmil
Crystal structure of SnoaB, a cofactor-independent oxygenase from Streptomyces nogalater, determined to 1.9 resolution
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ...
著者Koskiniemi, H, Grocholski, T, Lindqvist, Y, Mantsala, P, Niemi, J, Schneider, G.
登録日2009-11-12
公開日2010-01-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the cofactor-independent monooxygenase SnoaB from Streptomyces nogalater: implications for the reaction mechanism
Biochemistry, 49, 2010
3L23
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Crystal structure of Sugar phosphate isomerase/epimerase (YP_001303399.1) from Parabacteroides distasonis ATCC 8503 at 1.70 A resolution
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, Sugar phosphate isomerase/epimerase
著者Joint Center for Structural Genomics (JCSG)
登録日2009-12-14
公開日2010-02-16
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of Sugar phosphate isomerase/epimerase (YP_001303399.1) from Parabacteroides distasonis ATCC 8503 at 1.70 A resolution
To be published
3L5A
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BU of 3l5a by Molmil
Crystal structure of a probable NADH-dependent flavin oxidoreductase from Staphylococcus aureus
分子名称: NADH/flavin oxidoreductase/NADH oxidase, TRIETHYLENE GLYCOL
著者Lam, R, Gordon, R.D, Vodsedalek, J, Battaile, K.P, Grebemeskel, S, Lam, K, Romanov, V, Chan, T, Mihajlovic, V, Thompson, C.M, Guthrie, J, Pai, E.F, Chirgadze, N.Y.
登録日2009-12-21
公開日2010-12-22
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of a probable NADH-dependent flavin oxidoreductase from Staphylococcus aureus
To be Published
3KSJ
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The alkanesulfonate-binding protein SsuA from Xabthomonas axonopodis pv. citri bound to MES
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nitrate transport protein
著者Balan, A, Araujo, F.T, Barbosa, J.A.R.G.
登録日2009-11-23
公開日2010-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The crystallographic structure of the SsuA protein reveals how alkanesulfonates enter into the cell
To be Published
3KR2
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BU of 3kr2 by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and 5-fluoro-1H-benzo[d]imidazol-2-amine
分子名称: 6-fluoro-1H-benzimidazol-2-amine, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Drinkwater, N, Martin, J.L.
登録日2009-11-17
公開日2010-09-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
3KRC
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Mint heterotetrameric geranyl pyrophosphate synthase in complex with IPP
分子名称: 1,2-ETHANEDIOL, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Geranyl diphosphate synthase large subunit, ...
著者Chang, T.-H, Hsieh, F.-L, Ko, T.-P, Wang, A.H.-J.
登録日2009-11-18
公開日2010-02-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of a heterotetrameric geranyl pyrophosphate synthase from mint (Mentha piperita) reveals intersubunit regulation
Plant Cell, 22, 2010
3KSP
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Crystal structure of a putative ca/calmodulin-dependent kinase ii association domain (exig_1688) from exiguobacterium sibiricum 255-15 at 2.59 A resolution
分子名称: 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Calcium/calmodulin-dependent kinase II association domain
著者Joint Center for Structural Genomics (JCSG)
登録日2009-11-23
公開日2009-12-29
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Crystal structure of Calcium/calmodulin-dependent kinase II association domain (YP_001814158.1) from EXIGUOBACTERIUM SP. 255-15 at 2.59 A resolution
To be published
3KRP
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Mint heterotetrameric geranyl pyrophosphate synthase in complex with magnesium and GPP
分子名称: 1,2-ETHANEDIOL, GERANYL DIPHOSPHATE, Geranyl diphosphate synthase large subunit, ...
著者Chang, T.-H, Hsieh, F.-L, Ko, T.-P, Wang, A.H.-J.
登録日2009-11-19
公開日2010-02-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Structure of a heterotetrameric geranyl pyrophosphate synthase from mint (Mentha piperita) reveals intersubunit regulation
Plant Cell, 22, 2010
3KST
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Crystal structure of Endo-1,4-beta-xylanase (NP_811807.1) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 1.70 A resolution
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Endo-1,4-beta-xylanase
著者Joint Center for Structural Genomics (JCSG)
登録日2009-11-23
公開日2009-12-08
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of Endo-1,4-beta-xylanase (NP_811807.1) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 1.70 A resolution
To be published
3KT7
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BU of 3kt7 by Molmil
Crystal structure of Tpa1 from Saccharomyces cerevisiae, a component of the messenger ribonucleoprotein complex
分子名称: 2-OXOGLUTARIC ACID, FE (III) ION, GLYCEROL, ...
著者Kim, H.S, Kim, H.L, Kim, K.H, Kim, D.J, Lee, S.J, Yoon, J.Y, Yoon, H.J, Lee, H.Y, Park, S.B, Kim, S.-J, Lee, J.Y, Suh, S.W.
登録日2009-11-24
公開日2010-01-19
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Crystal structure of Tpa1 from Saccharomyces cerevisiae, a component of the messenger ribonucleoprotein complex
Nucleic Acids Res., 38, 2010
3KT0
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Crystal structure of S. cerevisiae tryptophanyl-tRNA synthetase
分子名称: (2S)-1-{[(2S)-3-(2-methoxyethoxy)-2-methylpropyl]oxy}propan-2-amine, Tryptophanyl-tRNA synthetase, cytoplasmic
著者Zhou, M, Dong, X, Zhong, C, Shen, N, Ding, J.
登録日2009-11-24
公開日2010-02-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structures of Saccharomyces cerevisiae tryptophanyl-tRNA synthetase: new insights into the mechanism of tryptophan activation and implications for anti-fungal drug design
Nucleic Acids Res., 38, 2010
3KTL
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Crystal Structure of an I71A human GSTA1-1 mutant in complex with S-hexylglutathione
分子名称: Glutathione S-transferase A1, S-HEXYLGLUTATHIONE
著者Achilonu, I.A, Gildenhuys, S, Fernandes, M.A, Fanucchi, S, Dirr, H.W.
登録日2009-11-25
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The role of a topologically conserved isoleucine in glutathione transferase structure, stability and function.
Acta Crystallogr.,Sect.F, 66, 2010
3KTC
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Crystal structure of Putative sugar isomerase (YP_050048.1) from ERWINIA CAROTOVORA ATROSEPTICA SCRI1043 at 1.54 A resolution
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, FE (III) ION, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2009-11-24
公開日2009-12-22
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Crystal structure of Putative sugar isomerase (YP_050048.1) from ERWINIA CAROTOVORA ATROSEPTICA SCRI1043 at 1.54 A resolution
To be published
3KUH
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Crystal structure of E. coli HPPK(H115A) in complex with AMPCPP and HP
分子名称: 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, ACETATE ION, ...
著者Blaszczyk, J, Li, Y, Yan, H, Ji, X.
登録日2009-11-27
公開日2010-11-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Roles of residues E77 and H115 in E. coli HPPK
To be Published
3KU5
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Crystal structure of a H2N2 influenza virus hemagglutinin, human like
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Xu, R, Wilson, I.A.
登録日2009-11-26
公開日2010-01-19
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Structure, receptor binding, and antigenicity of influenza virus hemagglutinins from the 1957 H2N2 pandemic.
J.Virol., 84, 2010
3KUU
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Structure of the PurE Phosphoribosylaminoimidazole Carboxylase Catalytic Subunit from Yersinia pestis
分子名称: Phosphoribosylaminoimidazole carboxylase catalytic subunit PurE, SULFATE ION
著者Anderson, S.M, Wawrzak, Z, Brunzelle, J.S, Onopriyenko, O, Kwon, K, Edwards, A, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2009-11-27
公開日2009-12-22
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Structure of the PurE Phosphoribosylaminoimidazole Carboxylase Catalytic Subunit from Yersinia pestis
To be Published
3KVM
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Crystal structure of human dihydroorotate dehydrogenase (DHODH) with amino-benzoic acid inhibitor 951 at 2.00A resolution
分子名称: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, 2-[(2E)-2-{[5-(2-chlorophenyl)furan-2-yl]methylidene}hydrazino]benzoic acid, ACETATE ION, ...
著者McLean, L, Zhang, Y.
登録日2009-11-30
公開日2010-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of novel inhibitors for DHODH via virtual screening and X-ray crystallographic structures.
Bioorg.Med.Chem.Lett., 20, 2010

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