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4TXH
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BU of 4txh by Molmil
Crystal structure of uridine phosphorylase from Schistosoma mansoni in APO form
分子名称: SULFATE ION, Uridine phosphorylase
著者Torini, J, Romanello, L, Marinho, A, Brandao-Neto, J, Cassago, A, DeMarco, R, Pereira, H.M.
登録日2014-07-03
公開日2015-10-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.892 Å)
主引用文献Analysis of two Schistosoma mansoni uridine phosphorylases isoforms suggests the emergence of a protein with a non-canonical function.
Biochimie, 125, 2016
4XO1
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BU of 4xo1 by Molmil
crystal structure of Se-Met GnsA with double mutations
分子名称: Protein GnsA
著者Zhan, L, Gao, Z, Dong, Y.
登録日2015-01-16
公開日2015-07-29
実験手法X-RAY DIFFRACTION (1.802 Å)
主引用文献Crystal structure of GnsA from Escherichia coli
Biochem.Biophys.Res.Commun., 462, 2015
4TUT
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BU of 4tut by Molmil
Structure of a Prion peptide
分子名称: Prion peptide: GLY-GLY-TYR-MET-LEU-GLY
著者Yu, L, Lee, S.-J, Yee, V.
登録日2014-06-24
公開日2015-05-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Crystal Structures of Polymorphic Prion Protein beta 1 Peptides Reveal Variable Steric Zipper Conformations.
Biochemistry, 54, 2015
5KU2
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BU of 5ku2 by Molmil
expanded poliovirus in complex with VHH 7A
分子名称: VHH 7A, VP1, VP2, ...
著者Strauss, M, Schotte, L, Filman, D.J, Hogle, J.M.
登録日2016-07-12
公開日2016-11-02
最終更新日2019-12-11
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Cryo-electron Microscopy Structures of Expanded Poliovirus with VHHs Sample the Conformational Repertoire of the Expanded State.
J. Virol., 91, 2017
1BJQ
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BU of 1bjq by Molmil
THE DOLICHOS BIFLORUS SEED LECTIN IN COMPLEX WITH ADENINE
分子名称: ADENINE, CALCIUM ION, LECTIN, ...
著者Hamelryck, T.W, Loris, R, Bouckaert, J, Dao-Thi, M.H, Wyns, L, Etzler, M.
登録日1998-06-26
公開日1998-12-30
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Carbohydrate binding, quaternary structure and a novel hydrophobic binding site in two legume lectin oligomers from Dolichos biflorus.
J.Mol.Biol., 286, 1999
4XID
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BU of 4xid by Molmil
AntpHD with 15bp DNA duplex
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*AP*GP*AP*AP*AP*GP*CP*CP*AP*TP*TP*AP*GP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*CP*TP*AP*AP*TP*GP*GP*CP*TP*TP*TP*C)-3'), ...
著者White, M.A, Zandarashvili, L, Iwahara, J.
登録日2015-01-06
公開日2015-11-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.701 Å)
主引用文献Entropic Enhancement of Protein-DNA Affinity by Oxygen-to-Sulfur Substitution in DNA Phosphate.
Biophys.J., 109, 2015
4TXJ
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BU of 4txj by Molmil
Crystal structure of uridine phosphorylase from Schistosoma mansoni in complex with thymidine
分子名称: SULFATE ION, THYMIDINE, Uridine phosphorylase
著者Torini, J, Marinho, A, Romanello, L, Cassago, A, DeMarco, R, Brandao-Neto, J, Pereira, H.M.
登録日2014-07-03
公開日2015-07-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.662 Å)
主引用文献Analysis of two Schistosoma mansoni uridine phosphorylases isoforms suggests the emergence of a protein with a non-canonical function.
Biochimie, 125, 2016
5KKZ
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BU of 5kkz by Molmil
Rhodobacter sphaeroides bc1 with famoxadone
分子名称: (1R)-2-{[(R)-(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(DODECANOYLOXY)METHYL]ETHYL (9Z)-OCTADEC-9-ENOATE, ASCORBIC ACID, Cytochrome b, ...
著者Xia, D, Esser, L, Zhou, F, Tang, W.K, Yu, C.A.
登録日2016-06-23
公開日2016-10-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献Hydrogen Bonding to the Substrate Is Not Required for Rieske Iron-Sulfur Protein Docking to the Quinol Oxidation Site of Complex III.
J.Biol.Chem., 291, 2016
5L7D
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BU of 5l7d by Molmil
Structure of human Smoothened in complex with cholesterol
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, SODIUM ION, ...
著者Byrne, E.F.X, Sircar, R, Miller, P.S, Hedger, G, Luchetti, G, Nachtergaele, S, Tully, M.D, Mydock-McGrane, L, Covey, D.F, Rambo, R.P, Sansom, M.S.P, Newstead, S, Rohatgi, R, Siebold, C.
登録日2016-06-03
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural basis of Smoothened regulation by its extracellular domains.
Nature, 535, 2016
5L9I
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BU of 5l9i by Molmil
Crystal structure of the periplasmic binding protein MotA in complex with DFG from A. tumefaciens B6
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Marty, L, Morera, S.
登録日2016-06-10
公開日2016-09-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Basis for High Specificity of Amadori Compound and Mannopine Opine Binding in Bacterial Pathogens.
J.Biol.Chem., 291, 2016
5KPG
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BU of 5kpg by Molmil
Pavine N-methyltransferase in complex with S-adenosylhomocysteine pH 7
分子名称: Pavine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Torres, M.A, Hoffarth, E, Eugenio, L, Savtchouk, J, Chen, X, Morris, J, Facchini, P.J, Ng, K.K.S.
登録日2016-07-04
公開日2016-09-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural and Functional Studies of Pavine N-Methyltransferase from Thalictrum flavum Reveal Novel Insights into Substrate Recognition and Catalytic Mechanism.
J.Biol.Chem., 291, 2016
4U5J
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BU of 4u5j by Molmil
C-Src in complex with Ruxolitinib
分子名称: (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile, Proto-oncogene tyrosine-protein kinase Src
著者Chen, Y, Duan, Y, Chen, L.
登録日2014-07-25
公開日2014-09-17
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献c-Src Binds to the Cancer Drug Ruxolitinib with an Active Conformation
Plos One, 9, 2014
4U01
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BU of 4u01 by Molmil
HCV NS3/4A serine protease in complex with 6570
分子名称: (2S,3aS,10Z,11aS,12aR)-2-({8-fluoro-7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-N-[(1-methylcyclopropyl)sulfonyl]-4,14-dioxo-1,2,3,3a,4,5,6,7,8,9,11a,12,13,14-tetradecahydro-12aH-cyclopropa[m]pyrrolo[1,2-c][1,3,6]triazacyclotetradecine-12a-carboxamide, CHLORIDE ION, NS4A protein, ...
著者Parsy, C.C, Alexandre, F.-R, Brandt, G, Caillet, C, Chaves, D, Derock, M, Gloux, D, Griffon, Y, Lallos, L.B, Leroy, F, Liuzzi, M, Loi, A.-G, Mayes, B, Moulat, L, Moussa, A, Chiara, M, Roques, V, Rosinovsky, E, Seifer, M, Stewart, A, Wang, J, Standring, D, Surleraux, D.
登録日2014-07-11
公開日2015-07-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery and structural diversity of the hepatitis C virus NS3/4A serine protease inhibitor series leading to clinical candidate IDX320.
Bioorg.Med.Chem.Lett., 25, 2015
4ZPP
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BU of 4zpp by Molmil
Crystal Structure of Protocadherin Gamma C5 EC1-3
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, MCG133388, ...
著者Wolcott, H.N, Goodman, K.M, Bahna, F, Mannepalli, S, Shapiro, L.
登録日2015-05-08
公開日2015-10-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.002 Å)
主引用文献Molecular Logic of Neuronal Self-Recognition through Protocadherin Domain Interactions.
Cell, 163, 2015
5KSC
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BU of 5ksc by Molmil
E166A/R274N/R276N Toho-1 Beta-lactamase aztreonam acyl-enzyme intermediate
分子名称: 2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2S,3S)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid, Beta-lactamase Toho-1
著者Vandavasi, V.G, Langan, P.S, Weiss, K, Parks, J.M, Cooper, J.B, Ginell, S.L, Coates, L.
登録日2016-07-08
公開日2016-11-09
最終更新日2019-12-04
実験手法NEUTRON DIFFRACTION (2.1 Å)
主引用文献Active-Site Protonation States in an Acyl-Enzyme Intermediate of a Class A beta-Lactamase with a Monobactam Substrate.
Antimicrob. Agents Chemother., 61, 2017
4U1O
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BU of 4u1o by Molmil
GluA2flip sLBD complexed with kainate and (R,R)-2b crystal form C
分子名称: 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Glutamate receptor 2, N,N'-[biphenyl-4,4'-diyldi(2R)propane-2,1-diyl]dipropane-2-sulfonamide
著者Chen, L, Gouaux, E.
登録日2014-07-15
公開日2014-08-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8501 Å)
主引用文献Structure and Dynamics of AMPA Receptor GluA2 in Resting, Pre-Open, and Desensitized States.
Cell, 158, 2014
4ZCE
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BU of 4zce by Molmil
Crystal Structure of the dust mite allergen Der p 23 from Dermatophagoides pteronyssinus
分子名称: 1,2-ETHANEDIOL, Dust mite allergen
著者Pedersen, L.C, Mueller, G.A, Randall, T.A, Glesner, J, Perera, L, Edwards, L.L, Chapman, M.D, London, R.E, Pomes, A.
登録日2015-04-15
公開日2015-11-25
最終更新日2019-12-11
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Serological, genomic and structural analyses of the major mite allergen Der p 23.
Clin Exp Allergy, 46, 2016
4ZQO
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Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Mycobacterium tuberculosis in the complex with IMP and the inhibitor Q67
分子名称: GLYCEROL, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, ...
著者Kim, Y, Makowska-Grzyska, M, Gu, M, Kavitha, M, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2015-05-10
公開日2015-06-17
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Mycobacterium tuberculosis IMPDH in Complexes with Substrates, Products and Antitubercular Compounds.
Plos One, 10, 2015
2ES9
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BU of 2es9 by Molmil
Crystal structure of Q8ZRJ2 from salmonella typhimurium. NESG TARGET STR65
分子名称: putative cytoplasmic protein
著者Benach, J, Abashidze, M, Jayaraman, S, Janjua, H, Cooper, B, Rong, X, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2005-10-25
公開日2005-11-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of Q8ZRJ2 from Salmonella typhimurium NESG TARGET STR65.
To be Published
4JWM
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BU of 4jwm by Molmil
Ternary complex of D256E mutant of DNA Polymerase Beta
分子名称: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ...
著者Batra, V.K, Perera, L, Ping, L, Shock, D.D, Beard, W.A, Pedersen, L.C, Pedersen, L.G, Wilson, S.H.
登録日2013-03-27
公開日2013-06-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Amino Acid Substitution in the Active Site of DNA Polymerase beta Explains the Energy Barrier of the Nucleotidyl Transfer Reaction.
J.Am.Chem.Soc., 135, 2013
5KV8
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BU of 5kv8 by Molmil
Crystal structure of a hPIV haemagglutinin-neuraminidase-inhibitor complex
分子名称: 1,2-ETHANEDIOL, 2,6-anhydro-3,4,5-trideoxy-4-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]-5-[(2-methylpropanoyl)amino]-D-glycero-D-galacto -non-2-enonic acid, 2-acetamido-2-deoxy-alpha-D-glucopyranose, ...
著者Dirr, L, El-Deeb, I.M, Chavas, L.M.G, Guillon, P, von Itzstein, M.
登録日2016-07-13
公開日2017-07-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.949 Å)
主引用文献The impact of the butterfly effect on human parainfluenza virus haemagglutinin-neuraminidase inhibitor design.
Sci Rep, 7, 2017
4U8T
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BU of 4u8t by Molmil
Crystal structure of YTH domain of Zygosaccharomyces rouxii MRB1 protein in complex with N6-Methyladenosine RNA
分子名称: RNA (5'-R(*AP*GP*GP*(6MZ)P*CP*AP*U)-3'), ZYRO0G01672p
著者Luo, S, Tong, L.
登録日2014-08-04
公開日2014-09-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular basis for the recognition of methylated adenines in RNA by the eukaryotic YTH domain.
Proc.Natl.Acad.Sci.USA, 111, 2014
2EVD
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BU of 2evd by Molmil
Crystal structure of human Glycolipid Transfer Protein complexed with 12:0 Lactosylceramide
分子名称: DECANE, Glycolipid transfer protein, LAURIC ACID, ...
著者Malinina, L, Malakhova, M.L, Kanack, A.T, Abagyan, R, Brown, R.E, Patel, D.J.
登録日2005-10-31
公開日2006-11-14
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The liganding of glycolipid transfer protein is controlled by glycolipid acyl structure.
Plos Biol., 4, 2006
2EVL
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BU of 2evl by Molmil
Crystal structure of human Glycolipid Transfer Protein complexed with 18:2 Galactosylceramide
分子名称: Glycolipid transfer protein, LINOLEIC ACID, N-OCTANE, ...
著者Malinina, L, Malakhova, M.L, Kanack, A.T, Abagyan, R, Brown, R.E, Patel, D.J.
登録日2005-10-31
公開日2006-11-14
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The liganding of glycolipid transfer protein is controlled by glycolipid acyl structure.
Plos Biol., 4, 2006
4Z5V
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Crystal Structure of MHV ns2 PDE Domain
分子名称: Non-structural protein 2a
著者Sui, B.K, Huang, J.H, Peng, G.Q, Zhao, L.
登録日2015-04-03
公開日2016-02-10
最終更新日2016-05-04
実験手法X-RAY DIFFRACTION (3.049 Å)
主引用文献Crystal structure of the mouse hepatitis virus ns2 phosphodiesterase domain that antagonizes RNase L activation
J.Gen.Virol., 97, 2016

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