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4RKR
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BU of 4rkr by Molmil
Crystal structure of LacI family transcriptional regulator from Arthrobacter sp. FB24, target EFI-560007, complex with lactose
分子名称: Transcriptional regulator, LacI family, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose
著者Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Siedel, R.D, Hillerich, B, Love, J, Whalen, K.L, Gerlt, J.A, Burley, S.K, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-10-13
公開日2014-11-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of LacI Transcriptional Regulator PurR from Arthrobacter Sp, Target Nysgxrc 11027R
To be Published
4RRV
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BU of 4rrv by Molmil
Crystal structure of PDK1 in complex with ATP and PIFtide
分子名称: 3-phosphoinositide-dependent protein kinase 1, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ...
著者Rettenmaier, T.J, Wells, J.A.
登録日2014-11-06
公開日2014-12-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.412 Å)
主引用文献A small-molecule mimic of a peptide docking motif inhibits the protein kinase PDK1.
Proc.Natl.Acad.Sci.USA, 111, 2014
4RZD
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BU of 4rzd by Molmil
Crystal Structure of a PreQ1 Riboswitch
分子名称: 7-DEAZA-7-AMINOMETHYL-GUANINE, PreQ1-III Riboswitch (Class 3)
著者Wedekind, J.E, Liberman, J.A, Salim, M.
登録日2014-12-20
公開日2015-07-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structural analysis of a class III preQ1 riboswitch reveals an aptamer distant from a ribosome-binding site regulated by fast dynamics.
Proc.Natl.Acad.Sci.USA, 112, 2015
4RK9
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BU of 4rk9 by Molmil
CRYSTAL STRUCTURE OF SUGAR TRANSPORTER BL01359 FROM Bacillus licheniformis, TARGET EFI-510856, IN COMPLEX WITH STACHYOSE
分子名称: Carbohydrate ABC transporter substrate-binding protein MsmE, alpha-D-galactopyranose-(1-6)-alpha-D-galactopyranose-(1-6)-[beta-D-fructofuranose-(2-1)]alpha-D-glucopyranose
著者Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Siedel, R.D, Hillerich, B, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-10-12
公開日2014-11-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献CRYSTAL STRUCTURE OF SUGAR TRANSPORTER BL01359 FROM Bacillus licheniformis, TARGET EFI-510856
To be Published
4RS3
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Crystal structure of carbohydrate transporter A0QYB3 from Mycobacterium smegmatis str. MC2 155, target EFI-510969, in complex with xylitol
分子名称: ABC transporter, carbohydrate uptake transporter-2 (CUT2) family, periplasmic sugar-binding protein, ...
著者Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Morisco, L.L, Wasserman, S.R, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Hillerich, B, Siedel, R.D, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-11-06
公開日2014-11-19
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献A General Strategy for the Discovery of Metabolic Pathways: d-Threitol, l-Threitol, and Erythritol Utilization in Mycobacterium smegmatis.
J.Am.Chem.Soc., 137, 2015
4RSM
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BU of 4rsm by Molmil
Crystal structure of carbohydrate transporter msmeg_3599 from mycobacterium smegmatis str. mc2 155, target efi-510970, in complex with d-threitol
分子名称: D-Threitol, Periplasmic binding protein/LacI transcriptional regulator
著者Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Morisco, L.L, Wasserman, S.R, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Hillerich, B, Siedel, R.D, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-11-08
公開日2014-12-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A General Strategy for the Discovery of Metabolic Pathways: d-Threitol, l-Threitol, and Erythritol Utilization in Mycobacterium smegmatis.
J.Am.Chem.Soc., 137, 2015
4RY8
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BU of 4ry8 by Molmil
Crystal structure of 5-methylthioribose transporter solute binding protein TLET_1677 from Thermotoga lettingae TMO TARGET EFI-511109 in complex with 5-methylthioribose
分子名称: 5-S-methyl-5-thio-alpha-D-ribofuranose, Periplasmic binding protein
著者Patskovsky, Y, Toro, R, Bhosle, R, Al obaidi, N, Morisco, L.L, Wasserman, S.R, Chamala, S, Attonito, J.D, Scott glenn, A, Chowdhury, S, Lafleur, J, Hillerich, B, Siede, R.D, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-12-13
公開日2014-12-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of 5-methylthioribose binding protein TLET_1677 from Thermotoga lettingae TARGET EFI-511109
To be Published
4TZ9
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Structure of Metallo-beta-lactamase
分子名称: CADMIUM ION, COBALT (II) ION, Class B metallo-beta-lactamase, ...
著者Ferguson, J.A, Brem, J, Makena, A, McDonough, A.M, Schofield, C.J.
登録日2014-07-09
公開日2015-07-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1269 Å)
主引用文献Structure of Metallo-beta-lactamase
To Be Published
4TZE
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BU of 4tze by Molmil
Structure of metallo-beta-lactamase
分子名称: Class B carbapenemase NDM-5, ZINC ION
著者Ferguson, J.A, Makena, A, Brem, J, McDonough, M.A, Schofield, C.J.
登録日2014-07-10
公開日2015-07-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.574 Å)
主引用文献stucuture of metallo-beta-lactamase
To Be Published
4TXY
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BU of 4txy by Molmil
Crystal structure of Vibrio cholerae DncV cyclic AMP-GMP synthase, a prokaryotic cGAS homolog
分子名称: Cyclic AMP-GMP synthase, MAGNESIUM ION
著者Kranzusch, P.J, Lee, A.S.Y, Wilson, S.C, Solovykh, M.S, Vance, R.E, Berger, J.M, Doudna, J.A.
登録日2014-07-07
公開日2014-08-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.0001 Å)
主引用文献Structure-Guided Reprogramming of Human cGAS Dinucleotide Linkage Specificity.
Cell, 158, 2014
4TZF
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BU of 4tzf by Molmil
Structure of metallo-beta lactamase
分子名称: NDM-8 metallo-beta-lactamase, ZINC ION
著者Ferguson, J.A, Makena, A, Brem, J, McDonough, M.A, Schofield, C.J.
登録日2014-07-10
公開日2015-07-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献structure of metallo-beta lactamase
To Be Published
4TW3
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BU of 4tw3 by Molmil
Insights into Substrate and Metal Binding from the Crystal Structure of Cyanobacterial Aldehyde Deformylating Oxygenase with Substrate Bound
分子名称: 1,2-ETHANEDIOL, Aldehyde decarbonylase, FE (III) ION, ...
著者Buer, B.C, Paul, B, Das, D, Stuckey, J.A, Marsh, E.N.G.
登録日2014-06-29
公開日2014-10-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Insights into substrate and metal binding from the crystal structure of cyanobacterial aldehyde deformylating oxygenase with substrate bound.
Acs Chem.Biol., 9, 2014
1FOK
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BU of 1fok by Molmil
STRUCTURE OF RESTRICTION ENDONUCLEASE FOKI BOUND TO DNA
分子名称: DNA (5'-D(*AP*TP*GP*AP*CP*TP*AP*GP*CP*GP*TP*TP*AP*TP*CP*AP*T P*CP*CP*G)-3'), DNA (5'-D(*TP*CP*GP*GP*AP*TP*GP*AP*TP*AP*AP*CP*GP*CP*TP*AP*G P*TP*CP*A)-3'), PROTEIN (FOKI RESTRICTION ENDONUCLEASE)
著者Aggarwal, D.A, Wah, J.A, Hirsch, L.F, Dorner, I, Schildkraut, A.K.
登録日1997-04-18
公開日1997-12-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of the multimodular endonuclease FokI bound to DNA.
Nature, 388, 1997
4UAB
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BU of 4uab by Molmil
Crystal structure of a TRAP periplasmic solute binding protein from Chromohalobacter salexigens DSM 3043 (Csal_0678), Target EFI-501078, with bound ethanolamine
分子名称: CHLORIDE ION, ETHANOLAMINE, Twin-arginine translocation pathway signal
著者Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-08-08
公開日2014-09-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
4UFQ
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BU of 4ufq by Molmil
Structure of a novel Hyaluronidase (Hyal_Sk) from Streptomyces koganeiensis.
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Gavira, J.A, Messina, L, Pernagallo, S, Unciti-Broceta, J.D, Conejero-Muriel, M, Diaz-Mochon, J.J, Vaccaro, S, Caruso, S, Musumeci, L, Bisicchia, S, Di Pasquale, R.
登録日2015-03-18
公開日2016-04-13
最終更新日2017-08-23
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Identification and Characterization of a Bacterial Hyaluronidase and its Production in Recombinant Form.
FEBS Lett., 590, 2016
4UPD
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BU of 4upd by Molmil
Open conformation of O. piceae sterol esterase mutant I544W
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, STEROL ESTERASE, TRIETHYLENE GLYCOL, ...
著者Gutierrez-Fernandez, J, Vaquero, M.E, Prieto, A, Barriuso, J, Gonzalez, M.J, Hermoso, J.A.
登録日2014-06-16
公開日2014-09-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structures of Ophiostoma Piceae Sterol Esterase: Structural Insights Into Activation Mechanism and Product Release.
J.Struct.Biol., 187, 2014
4UHP
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BU of 4uhp by Molmil
Crystal structure of the pyocin AP41 DNase-Immunity complex
分子名称: BACTERIOCIN IMMUNITY PROTEIN, LARGE COMPONENT OF PYOCIN AP41
著者Joshi, A, Chen, S, Wojdyla, J.A, Kaminska, R, Kleanthous, C.
登録日2015-03-25
公開日2015-08-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of the Ultra-High Affinity Protein-Protein Complexes of Pyocins S2 and Ap41 and Their Cognate Immunity Proteins from Pseudomonas Aeruginosa
J.Mol.Biol., 427, 2015
4UHH
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BU of 4uhh by Molmil
Structural studies of a thermophilic esterase from Thermogutta terrifontis (cacodylate complex)
分子名称: CACODYLIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Sayer, C, Isupov, M.N, Bonch-Osmolovskaya, E, Littlechild, J.A.
登録日2015-03-24
公開日2015-06-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献Structural Studies of a Thermophilic Esterase from a New Planctomycetes Species, Thermogutta Terrifontis.
FEBS J., 282, 2015
4UHU
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W229D mutant of the last common ancestor of Gram-negative bacteria (GNCA) beta-lactamase class A
分子名称: ACETATE ION, FORMIC ACID, GNCA LACTAMASE W229D
著者Gavira, J.A, Risso, V.A, Martinez-Rodriguez, S, Sanchez-Ruiz, J.M.
登録日2015-03-25
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.305 Å)
主引用文献De novo active sites for resurrected Precambrian enzymes.
Nat Commun, 8, 2017
4UHE
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Structural studies of a thermophilic esterase from Thermogutta terrifontis (malate bound)
分子名称: CHLORIDE ION, D-MALATE, ESTERASE, ...
著者Sayer, C, Isupov, M.N, Bonch-Osmolovskaya, E, Littlechild, J.A.
登録日2015-03-24
公開日2015-06-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Structural Studies of a Thermophilic Esterase from a New Planctomycetes Species, Thermogutta Terrifontis.
FEBS J., 282, 2015
4UFW
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Plasmodium vivax N-myristoyltransferase in complex with a pyridyl inhibitor (compound 22)
分子名称: 2-oxopentadecyl-CoA, 4-chloranyl-N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide, CHLORIDE ION, ...
著者Yu, Z, Brannigan, J.A, Rangachari, K, Heal, W.P, Wilkinson, A.J, Holder, A.A, Tate, E.W, Leatherbarrow, R.J.
登録日2015-03-19
公開日2016-02-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of Pyridyl-Based Inhibitors of Plasmodium Falciparum N-Myristoyltransferase
Medchemcomm, 6, 2015
4UHQ
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BU of 4uhq by Molmil
Crystal structure of the pyocin AP41 DNase
分子名称: CITRIC ACID, LARGE COMPONENT OF PYOCIN AP41, NICKEL (II) ION
著者Joshi, A, Chen, S, Wojdyla, J.A, Kaminska, R, Kleanthous, C.
登録日2015-03-25
公開日2015-08-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structures of the Ultra-High Affinity Protein-Protein Complexes of Pyocins S2 and Ap41 and Their Cognate Immunity Proteins from Pseudomonas Aeruginosa
J.Mol.Biol., 427, 2015
4UHF
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Structural studies of a thermophilic esterase from Thermogutta terrifontis (L37A mutant with butyrate bound)
分子名称: CACODYLIC ACID, ESTERASE, TRIETHYLENE GLYCOL, ...
著者Sayer, C, Isupov, M.N, Bonch-Osmolovskaya, E, Littlechild, J.A.
登録日2015-03-24
公開日2015-06-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Structural Studies of a Thermophilic Esterase from a New Planctomycetes Species, Thermogutta Terrifontis.
FEBS J., 282, 2015
4UHD
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BU of 4uhd by Molmil
Structural studies of a thermophilic esterase from Thermogutta terrifontis (acetate bound)
分子名称: ACETATE ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Sayer, C, Isupov, M.N, Bonch-Osmolovskaya, E, Littlechild, J.A.
登録日2015-03-24
公開日2015-06-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献Structural Studies of a Thermophilic Esterase from a New Planctomycetes Species, Thermogutta Terrifontis.
FEBS J., 282, 2015
4UFX
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Plasmodium vivax N-myristoyltransferase in complex with a pyridyl inhibitor (compound 19)
分子名称: 2-oxopentadecyl-CoA, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Yu, Z, Brannigan, J.A, Rangachari, K, Heal, W.P, Wilkinson, A.J, Holder, A.A, Tate, E.W, Leatherbarrow, R.J.
登録日2015-03-19
公開日2016-02-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Discovery of Pyridyl-Based Inhibitors of Plasmodium Falciparum N-Myristoyltransferase
Medchemcomm, 6, 2015

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