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5T3D
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BU of 5t3d by Molmil
Crystal structure of holo-EntF a nonribosomal peptide synthetase in the thioester-forming conformation
分子名称: 5'-({[(2R,3S)-3-amino-4-hydroxy-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}butyl]sulfonyl}amino)-5'-deoxyadenosine, Enterobactin synthase component F
著者Miller, B.R, Drake, E.J, Sundlov, J.A, Gulick, A.M.
登録日2016-08-25
公開日2016-09-21
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structures of two distinct conformations of holo-non-ribosomal peptide synthetases.
Nature, 529, 2016
4ZNJ
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BU of 4znj by Molmil
Thermus Phage P74-26 Large Terminase ATPase domain mutant R139A (I 2 3 space group)
分子名称: Phage terminase large subunit, SULFATE ION
著者Hilbert, B.J, Hayes, J.A, Stone, N.P, Duffy, C.M, Kelch, B.A.
登録日2015-05-04
公開日2015-07-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.532 Å)
主引用文献Structure and mechanism of the ATPase that powers viral genome packaging.
Proc.Natl.Acad.Sci.USA, 112, 2015
3UOT
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BU of 3uot by Molmil
Crystal Structure of MDC1 FHA Domain in Complex with a Phosphorylated Peptide from the MDC1 N-terminus
分子名称: Mediator of DNA damage checkpoint protein 1
著者Clapperton, J.A, Lloyd, J, Haire, L.F, Li, J, Smerdon, S.J.
登録日2011-11-17
公開日2011-12-28
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The molecular basis of ATM-dependent dimerization of the Mdc1 DNA damage checkpoint mediator.
Nucleic Acids Res., 40, 2012
4ZNU
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BU of 4znu by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with a 2-Methyl-substituted OBHS derivative
分子名称: 2-methylphenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate, Estrogen receptor, Nuclear receptor-interacting peptide
著者Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
登録日2015-05-05
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
4ZL4
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BU of 4zl4 by Molmil
Plasmepsin V from Plasmodium vivax bound to a transition state mimetic (WEHI-842)
分子名称: (2R)-1-[(2R)-2-(2-methoxyethoxy)propoxy]propan-2-amine, 1,2-ETHANEDIOL, Aspartic protease PM5, ...
著者Czabotar, P.E, Hodder, A.N, Smith, B.J, Sleebs, B.E, Gazdic, M, Boddey, J.A, Cowman, A.F.
登録日2015-05-01
公開日2015-07-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Structural basis for plasmepsin V inhibition that blocks export of malaria proteins to human erythrocytes.
Nat.Struct.Mol.Biol., 22, 2015
5T20
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BU of 5t20 by Molmil
Crystal Structure of Tarin Lectin bound to Trimannose
分子名称: 1,2-ETHANEDIOL, Lectin, alpha-D-mannopyranose, ...
著者Pereira, P.R, Meagher, J.L, Stuckey, J.A.
登録日2016-08-22
公開日2016-09-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献High-resolution crystal structures of Colocasia esculenta tarin lectin.
Glycobiology, 27, 2017
4WUV
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BU of 4wuv by Molmil
Crystal Structure of a putative D-Mannonate oxidoreductase from Haemophilus influenza (Avi_5165, TARGET EFI-513796) with bound NAD
分子名称: 1,2-ETHANEDIOL, 2-hydroxycyclohexanecarboxyl-CoA dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Yadava, U, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C.
登録日2014-11-03
公開日2014-11-26
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.551 Å)
主引用文献Crystal structure of a putative D-Mannonate oxidoreductase from Haemophilus influenza (Avi_5165, TARGET EFI-513796) with bound NAD
To be published
4WXE
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BU of 4wxe by Molmil
CRYSTAL STRUCTURE OF A LACI REGULATOR FROM LACTOBACILLUS CASEI (LSEI_2103, TARGET EFI-512911) WITH BOUND TRIS
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-11-13
公開日2014-11-26
最終更新日2015-10-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献CRYSTAL STRUCTURE OF A LACI REGULATOR FROM LACTOBACILLUS CASEI (LSEI_2103, TARGET EFI-512911) WITH BOUND TRIS
To be published
5V4L
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BU of 5v4l by Molmil
Cryptococcus neoformans adenylosuccinate lyase
分子名称: Adenylosuccinate lyase
著者Chitty, J, Williams, S.J, Kobe, B, Fraser, J.A.
登録日2017-03-09
公開日2017-06-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Cryptococcus neoformans ADS lyase is an enzyme essential for virulence whose crystal structure reveals features exploitable in antifungal drug design.
J. Biol. Chem., 292, 2017
4X08
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BU of 4x08 by Molmil
Structure of H128N/ECP mutant in complex with sulphate anions at 1.34 Angstroms.
分子名称: Eosinophil cationic protein, SULFATE ION
著者Blanco, J.A, Garcia, J.M, Salazar, V.A, Sanchez, D, Moussauoi, M, Boix, E.
登録日2014-11-21
公開日2015-10-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Structure of H128N/ECP mutant in complex with sulphate anions at 1.34 Angstroms.
To Be Published
3UPH
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BU of 3uph by Molmil
Synthesis of novel 4,5-dihydrofurano indoles and their evaluation as HCV NS5B polymerase inhibitors
分子名称: 6-(2,5-difluorobenzyl)-N-(methylsulfonyl)-8-(2-oxo-1,2-dihydropyridin-3-yl)-3,6-dihydro-2H-furo[2,3-e]indole-7-carboxamide, PHOSPHATE ION, RNA-directed RNA polymerase
著者Velazquez, F, Venkataraman, S, Lesburg, C.A, Duca, J.S, Rosenblum, S.B, Kozlowski, J.A, Njoroge, F.G.
登録日2011-11-18
公開日2012-01-25
最終更新日2012-02-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Synthesis of New 4,5-Dihydrofuranoindoles and Their Evaluation as HCV NS5B Polymerase Inhibitors.
Org.Lett., 14, 2012
3USR
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BU of 3usr by Molmil
Structure of Y194F glycogenin mutant truncated at residue 270
分子名称: CHLORIDE ION, GLYCEROL, Glycogenin-1
著者Issoglio, F.M, Carrizo, M.E, Romero, J.M, Curtino, J.A.
登録日2011-11-23
公開日2011-12-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Mechanisms of monomeric and dimeric glycogenin autoglucosylation.
J.Biol.Chem., 287, 2012
4YZ1
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BU of 4yz1 by Molmil
Crystal Structure of Streptococcus pneumoniae NanC, apo structure.
分子名称: Putative neuraminidase, SULFATE ION
著者Lukacik, P, Owen, D.O, Potter, J.A, Taylor, G.L, Walsh, M.A.
登録日2015-03-24
公開日2015-09-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Streptococcus pneumoniae NanC: STRUCTURAL INSIGHTS INTO THE SPECIFICITY AND MECHANISM OF A SIALIDASE THAT PRODUCES A SIALIDASE INHIBITOR.
J.Biol.Chem., 290, 2015
4Z0N
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BU of 4z0n by Molmil
Crystal Structure of a Periplasmic Solute binding protein (IPR025997) from Streptobacillus moniliformis DSM-12112 (Smon_0317, TARGET EFI-511281) with bound D-Galactose
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
著者Yadava, U, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2015-03-26
公開日2015-04-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Crystal Structure of a Periplasmic Solute binding protein (IPR025997) from Streptobacillus moniliformis DSM-12112 (Smon_0317, TARGET EFI-511281) with bound D-Galactose
To be published
4YZ2
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BU of 4yz2 by Molmil
Crystal Structure of Streptococcus pneumoniae NanC, in complex with 2-deoxy-2,3-didehydro-N-acetylneuraminic acid.
分子名称: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, SULFATE ION, Sialidase NanC
著者Lukacik, P, Owen, C.D, Potter, J.A, Taylor, G.L, Walsh, M.A.
登録日2015-03-24
公開日2015-09-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Streptococcus pneumoniae NanC: STRUCTURAL INSIGHTS INTO THE SPECIFICITY AND MECHANISM OF A SIALIDASE THAT PRODUCES A SIALIDASE INHIBITOR.
J.Biol.Chem., 290, 2015
4Z93
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BU of 4z93 by Molmil
BRD4 bromodomain 2 in complex with gamma-carboline-containing compound, number 18.
分子名称: 1,2-ETHANEDIOL, 1-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indole, Bromodomain-containing protein 4
著者Meagher, J.L, Stuckey, J.A.
登録日2015-04-09
公開日2015-07-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Structure-Based Design of gamma-Carboline Analogues as Potent and Specific BET Bromodomain Inhibitors.
J.Med.Chem., 58, 2015
4YZV
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BU of 4yzv by Molmil
Precleavage 70S structure of the P. vulgaris HigB deltaH92 toxin bound to the ACA codon
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Schureck, M.A, Dunkle, J.A, Maehigashi, T, Dunham, C.M.
登録日2015-03-25
公開日2015-10-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Defining the mRNA recognition signature of a bacterial toxin protein.
Proc.Natl.Acad.Sci.USA, 112, 2015
5UP9
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BU of 5up9 by Molmil
Crystal Structure of Zn-bound Human Heavy-Chain ferritin variant 122H-delta C-star with para-xylenedihydroxamate
分子名称: 2,2'-(1,4-phenylene)bis(N-hydroxyacetamide), DI(HYDROXYETHYL)ETHER, Ferritin heavy chain, ...
著者Bailey, J.B, Zhang, L, Chiong, J.A, Ahn, S, Tezcan, F.A.
登録日2017-02-01
公開日2017-09-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Synthetic Modularity of Protein-Metal-Organic Frameworks.
J. Am. Chem. Soc., 139, 2017
5V5C
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BU of 5v5c by Molmil
VQIINK, Structure of the amyloid-spine from microtubule associated protein tau Repeat 2
分子名称: Microtubule-associated protein tau
著者Seidler, P.M, Sawaya, M.R, Rodriguez, J.A, Eisenberg, D.S, Cascio, D, Boyer, D.R.
登録日2017-03-14
公開日2018-02-07
最終更新日2024-03-13
実験手法ELECTRON CRYSTALLOGRAPHY (1.25 Å)
主引用文献Structure-based inhibitors of tau aggregation.
Nat Chem, 10, 2018
446D
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BU of 446d by Molmil
STRUCTURE OF THE OLIGONUCLEOTIDE D(CGTATATACG) AS A SITE SPECIFIC COMPLEX WITH NICKEL IONS
分子名称: DNA (5'-D(*CP*GP*TP*AP*TP*AP*TP*AP*CP*G)-3'), NICKEL (II) ION
著者Abrescia, N.G.A, Malinina, L, Gonzaga, L.F, Huynh-Dinh, T, Neidle, S, Subirana, J.A.
登録日1999-01-15
公開日1999-03-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of the oligonucleotide d(CGTATATACG) as a site-specific complex with nickel ions.
Nucleic Acids Res., 27, 1999
4WWH
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BU of 4wwh by Molmil
CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM MYCOBACTERIUM SMEGMATIS (MSMEG_1704, TARGET EFI-510967) WITH BOUND D-GALACTOSE
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ABC transporter, beta-D-galactopyranose
著者Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-11-11
公開日2014-11-26
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM MYCOBACTERIUM SMEGMATIS (MSMEG_1704, TARGET EFI-510967) WITH BOUND D-GALACTOSE
To be published
4WYQ
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BU of 4wyq by Molmil
Crystal structure of the Dicer-TRBP interface
分子名称: Endoribonuclease Dicer, Poly(UNK), RISC-loading complex subunit TARBP2
著者Wilson, R.C, Doudna, J.A.
登録日2014-11-18
公開日2014-12-17
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Dicer-TRBP Complex Formation Ensures Accurate Mammalian MicroRNA Biogenesis.
Mol.Cell, 57, 2015
5UU5
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BU of 5uu5 by Molmil
Bacteriophage P22 mature virion capsid protein
分子名称: Major capsid protein
著者Hryc, C.F, Chen, D.-H, Afonine, P.V, Jakana, J, Wang, Z, Haase-Pettingell, C, Jiang, W, Adams, P.D, King, J.A, Schmid, M.F, Chiu, W.
登録日2017-02-16
公開日2017-03-15
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Accurate model annotation of a near-atomic resolution cryo-EM map.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5UX0
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X-ray crystal structure of Marinitoga piezophila Argonaute in complex with 5' OH guide RNA and target DNA
分子名称: Argonaute protein, DNA (5'-D(P*AP*TP*GP*AP*GP*GP*TP*AP*GP*TP*AP*GP*GP*TP*TP*GP*TP*AP*CP*C)-3'), RNA (5'-R(*G*GP*UP*AP*CP*AP*AP*CP*CP*UP*AP*CP*UP*AP*CP*CP*UP*CP*AP*U)-3')
著者Doxzen, K.W, Doudna, J.A.
登録日2017-02-21
公開日2017-05-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.197 Å)
主引用文献DNA recognition by an RNA-guided bacterial Argonaute.
PLoS ONE, 12, 2017
4A8L
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Protein crystallization and microgravity: glucose isomerase crystals grown during the PCDF-PROTEIN mission
分子名称: 1,2-ETHANEDIOL, COBALT (II) ION, XYLOSE ISOMERASE
著者Decanniere, K, Patino-Lopez, L.-D, Sleutel, M, Evrard, C, Van De Weerdt, C, Haumont, E, Gavira, J.A, Otalora, F, Maes, D.
登録日2011-11-21
公開日2011-11-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Protein Crystallization and Microgravity: Glucose Isomerase Crystals Grown During the Pcdf-Protein Mission
To be Published

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