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4RK7
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BU of 4rk7 by Molmil
Crystal structure of LacI family transcriptional regulator CCPA from Weissella paramesenteroides, Target EFI-512926, with bound sucrose
Descriptor: Glucose-resistance amylase regulator, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose
Authors: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)
Deposit date:2014-10-11
Release date:2014-10-29
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of transcriptional regulator CCPA from Weissella paramesenteroides, Target EFI-512926
To be Published
4RQV
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BU of 4rqv by Molmil
Crystal structure of PDK1 in complex with ATP and the PIF-pocket ligand RS2
Descriptor: 3-phosphoinositide-dependent protein kinase 1, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ...
Authors:Rettenmaier, T.J, Wells, J.A.
Deposit date:2014-11-05
Release date:2014-12-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.502 Å)
Cite:A small-molecule mimic of a peptide docking motif inhibits the protein kinase PDK1.
Proc.Natl.Acad.Sci.USA, 111, 2014
4RY0
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BU of 4ry0 by Molmil
Crystal structure of ribose transporter solute binding protein RHE_PF00037 from Rhizobium etli CFN 42, TARGET EFI-511357, in complex with D-ribose
Descriptor: CALCIUM ION, CHLORIDE ION, Probable ribose ABC transporter, ...
Authors: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)
Deposit date:2014-12-12
Release date:2014-12-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal Structure of Ribose Transporter Solute Binding Protein from Rhizobium Etly, Target Efi-511357
To be Published
4RQK
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BU of 4rqk by Molmil
Crystal structure of PDK1 in complex with ATP and the PIF-pocket ligand RS1
Descriptor: 3-phosphoinositide-dependent protein kinase 1, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Rettenmaier, T.J, Wells, J.A.
Deposit date:2014-11-03
Release date:2014-12-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A small-molecule mimic of a peptide docking motif inhibits the protein kinase PDK1.
Proc.Natl.Acad.Sci.USA, 111, 2014
4RXT
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BU of 4rxt by Molmil
Crystal structure of carbohydrate transporter solute binding protein Arad_9553 from Agrobacterium Radiobacter, Target EFI-511541, in complex with D-arabinose
Descriptor: Sugar ABC transporter, alpha-L-arabinopyranose
Authors: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)
Deposit date:2014-12-11
Release date:2014-12-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal Structure of Sugar Binding Transporter Arad_9553 from Agrobacterium Radiobacter, Target Efi-511541
To be Published
4RK2
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BU of 4rk2 by Molmil
Crystal structure of sugar transporter RHE_PF00321 from Rhizobium etli, target EFI-510806, an open conformation
Descriptor: ACETATE ION, CHLORIDE ION, Putative sugar ABC transporter, ...
Authors: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)
Deposit date:2014-10-11
Release date:2014-11-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of Sugar Transporter RHE_Pf00321 from Rhizobium Etli, Target EFI-510806
To be Published
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
Descriptor: Transcriptional regulator, LacI family, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose
Authors: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)
Deposit date:2014-10-13
Release date:2014-11-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: 3-phosphoinositide-dependent protein kinase 1, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ...
Authors:Rettenmaier, T.J, Wells, J.A.
Deposit date:2014-11-06
Release date:2014-12-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.412 Å)
Cite: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
Descriptor: 7-DEAZA-7-AMINOMETHYL-GUANINE, PreQ1-III Riboswitch (Class 3)
Authors:Wedekind, J.E, Liberman, J.A, Salim, M.
Deposit date:2014-12-20
Release date:2015-07-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.75 Å)
Cite: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
4RS3
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BU of 4rs3 by Molmil
Crystal structure of carbohydrate transporter A0QYB3 from Mycobacterium smegmatis str. MC2 155, target EFI-510969, in complex with xylitol
Descriptor: ABC transporter, carbohydrate uptake transporter-2 (CUT2) family, periplasmic sugar-binding protein, ...
Authors: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)
Deposit date:2014-11-06
Release date:2014-11-19
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
Descriptor: D-Threitol, Periplasmic binding protein/LacI transcriptional regulator
Authors: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)
Deposit date:2014-11-08
Release date:2014-12-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: 5-S-methyl-5-thio-alpha-D-ribofuranose, Periplasmic binding protein
Authors: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)
Deposit date:2014-12-13
Release date:2014-12-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of 5-methylthioribose binding protein TLET_1677 from Thermotoga lettingae TARGET EFI-511109
To be Published
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
Descriptor: 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
Authors: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)
Deposit date:2014-10-12
Release date:2014-11-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:CRYSTAL STRUCTURE OF SUGAR TRANSPORTER BL01359 FROM Bacillus licheniformis, TARGET EFI-510856
To be Published
4TZ9
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BU of 4tz9 by Molmil
Structure of Metallo-beta-lactamase
Descriptor: CADMIUM ION, COBALT (II) ION, Class B metallo-beta-lactamase, ...
Authors:Ferguson, J.A, Brem, J, Makena, A, McDonough, A.M, Schofield, C.J.
Deposit date:2014-07-09
Release date:2015-07-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1269 Å)
Cite:Structure of Metallo-beta-lactamase
To Be Published
4TZE
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BU of 4tze by Molmil
Structure of metallo-beta-lactamase
Descriptor: Class B carbapenemase NDM-5, ZINC ION
Authors:Ferguson, J.A, Makena, A, Brem, J, McDonough, M.A, Schofield, C.J.
Deposit date:2014-07-10
Release date:2015-07-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.574 Å)
Cite: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
Descriptor: Cyclic AMP-GMP synthase, MAGNESIUM ION
Authors:Kranzusch, P.J, Lee, A.S.Y, Wilson, S.C, Solovykh, M.S, Vance, R.E, Berger, J.M, Doudna, J.A.
Deposit date:2014-07-07
Release date:2014-08-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.0001 Å)
Cite: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
Descriptor: NDM-8 metallo-beta-lactamase, ZINC ION
Authors:Ferguson, J.A, Makena, A, Brem, J, McDonough, M.A, Schofield, C.J.
Deposit date:2014-07-10
Release date:2015-07-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.22 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, Aldehyde decarbonylase, FE (III) ION, ...
Authors:Buer, B.C, Paul, B, Das, D, Stuckey, J.A, Marsh, E.N.G.
Deposit date:2014-06-29
Release date:2014-10-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Insights into substrate and metal binding from the crystal structure of cyanobacterial aldehyde deformylating oxygenase with substrate bound.
Acs Chem.Biol., 9, 2014
4U9M
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BU of 4u9m by Molmil
Structure of the DNA duplex d(ATTAAT)2 with Hoogsteen hydrogen bonds
Descriptor: DNA (5'-D(*AP*TP*TP*AP*AP*T)-3')
Authors:Acosta-Reyes, F.J, Alechaga, E, Subirana, J.A, Campos, J.L.
Deposit date:2014-08-06
Release date:2015-04-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.13 Å)
Cite:Structure of the DNA Duplex d(ATTAAT)2 with Hoogsteen Hydrogen Bonds.
Plos One, 10, 2015
4TZB
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BU of 4tzb by Molmil
Structure of NDM-Metallo-beta-lactamase
Descriptor: CADMIUM ION, COBALT (II) ION, Metallo-beta-lactamase, ...
Authors:Ferguson, J.A, Makena, A, Brem, J, McDonough, M.A, Schofield, C.J.
Deposit date:2014-07-09
Release date:2015-07-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.029 Å)
Cite:Structure of Metallo-beta-lactamase
To Be Published
3BVD
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BU of 3bvd by Molmil
Structure of Surface-engineered Cytochrome ba3 Oxidase from Thermus thermophilus under Xenon Pressure, 100psi 5min
Descriptor: COPPER (II) ION, Cytochrome c oxidase polypeptide 2A, Cytochrome c oxidase subunit 1, ...
Authors:Luna, V.M, Chen, Y, Fee, J.A, Stout, C.D.
Deposit date:2008-01-07
Release date:2008-05-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.37 Å)
Cite:Crystallographic Studies of Xe and Kr Binding within the Large Internal Cavity of Cytochrome ba3 from Thermus thermophilus: Structural Analysis and Role of Oxygen Transport Channels in the Heme-Cu Oxidases.
Biochemistry, 47, 2008
4TWS
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BU of 4tws by Molmil
Gadolinium Derivative of Tetragonal Hen Egg-White Lysozyme at 1.45 A Resolution
Descriptor: 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, CHLORIDE ION, GADOLINIUM ATOM, ...
Authors:Holton, J.M, Classen, S, Frankel, K.A, Tainer, J.A.
Deposit date:2014-07-01
Release date:2014-08-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The R-factor gap in macromolecular crystallography: an untapped potential for insights on accurate structures.
Febs J., 281, 2014
4UFC
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BU of 4ufc by Molmil
Crystal structure of the GH95 enzyme BACOVA_03438
Descriptor: CACODYLATE ION, CALCIUM ION, GH95, ...
Authors:Rogowski, A, Briggs, J.A, Mortimer, J.C, Tryfona, T, Terrapon, N, Lowe, E.C, Basle, A, Morland, C, Day, A.M, Zheng, H, Rogers, T.E, Thompson, P, Hawkins, A.R, Yadav, M.P, Henrissat, B, Martens, E.C, Dupree, P, Gilbert, H.J, Bolam, D.N.
Deposit date:2015-03-16
Release date:2015-07-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Glycan Complexity Dictates Microbial Resource Allocation in the Large Intestine.
Nat.Commun., 6, 2015
4TY0
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BU of 4ty0 by Molmil
Crystal structure of Vibrio cholerae DncV cyclic AMP-GMP synthase in complex with linear intermediate 5' pppA(3',5')pG
Descriptor: ACETATE ION, Cyclic AMP-GMP synthase, MAGNESIUM ION, ...
Authors:Kranzusch, P.J, Lee, A.S.Y, Wilson, S.C, Solovykh, M.S, Vance, R.E, Berger, J.M, Doudna, J.A.
Deposit date:2014-07-07
Release date:2014-08-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Guided Reprogramming of Human cGAS Dinucleotide Linkage Specificity.
Cell, 158, 2014
4TXZ
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BU of 4txz by Molmil
Crystal structure of Vibrio cholerae DncV cyclic AMP-GMP synthase in complex with nonhydrolyzable GTP
Descriptor: Cyclic AMP-GMP synthase, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER
Authors:Kranzusch, P.J, Lee, A.S.Y, Wilson, S.C, Solovykh, M.S, Vance, R.E, Berger, J.M, Doudna, J.A.
Deposit date:2014-07-07
Release date:2014-08-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-Guided Reprogramming of Human cGAS Dinucleotide Linkage Specificity.
Cell, 158, 2014

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数据于2024-07-24公开中

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