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4N9P
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BU of 4n9p by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS V23T/L25A/V99T at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Caro, J.A, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B.
Deposit date:2013-10-21
Release date:2013-12-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Cavities in proteins
To be Published
4MZK
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BU of 4mzk by Molmil
Crystal Structure of MTIP from Plasmodium falciparum in complex with pGly[807,811], a stapled myoA tail peptide
Descriptor: Myosin A tail domain interacting protein, pGly[807,811], a stapled myoA tail peptide
Authors:Douse, C.H, Garnett, J.A, Maas, S.J, Cota, E, Tate, E.W.
Deposit date:2013-09-30
Release date:2013-11-06
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Crystal Structures of Stapled and Hydrogen Bond Surrogate Peptides Targeting a Fully Buried Protein-Helix Interaction.
Acs Chem.Biol., 8, 2014
4N4U
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BU of 4n4u by Molmil
Crystal structure of ABC transporter solute binding protein BB0719 from Bordetella bronchiseptica RB50, TARGET EFI-510049
Descriptor: GLYCEROL, Putative ABC transporter periplasmic solute-binding protein
Authors:Patskovsky, Y, Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Jacobson, M.P, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-10-08
Release date:2013-10-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
4N9T
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BU of 4n9t by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS V66A/I92S at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Caro, J.A, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B.
Deposit date:2013-10-21
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Cavities in proteins
To be Published
4OVR
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BU of 4ovr by Molmil
CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM XANTHOBACTER AUTOTROPHICUS PY2, TARGET EFI-510329, WITH BOUND BETA-D-GALACTURONATE
Descriptor: CHLORIDE ION, TRAP dicarboxylate transporter, DctP subunit, ...
Authors: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)
Deposit date:2013-12-12
Release date:2014-01-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
4P1O
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BU of 4p1o by Molmil
Crystal structure of the Bateman domain of murine magnesium transporter CNNM2 bound to ATP-Mg
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Metal transporter CNNM2
Authors:Corral-Rodriguez, M.A, Stuiver, M, Abascal-Palacios, G, Diercks, T, Oyenarte, I, Ereno-Orbea, J, Encinar, J.A, Spiwok, V, Terashima, H, Accardi, A, Muller, D, Martinez-Cruz, L.A.
Deposit date:2014-02-27
Release date:2015-04-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Structural and ligand binding properties of the Bateman domain of human magnesium transporters CNNM2 and CNNM4
To Be Published
4P1L
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BU of 4p1l by Molmil
Crystal structure of a trap periplasmic solute binding protein from chromohalobacter salexigens dsm 3043 (csal_2479), target EFI-510085, with bound d-glucuronate, spg i213
Descriptor: GLYCEROL, SULFATE ION, TRAP dicarboxylate transporter, ...
Authors:Vetting, M.W, Al Obaidi, N.F, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2014-02-26
Release date:2014-03-19
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
4P3B
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BU of 4p3b by Molmil
Crystal structure of the mouse C5a-desArg anaphylatoxin
Descriptor: Complement C5, FORMIC ACID
Authors:Yatime, L, Schatz-Jakobsen, J.A, Andersen, G.R.
Deposit date:2014-03-06
Release date:2014-06-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and functional characterization of human and murine C5a anaphylatoxins.
Acta Crystallogr. D Biol. Crystallogr., 70, 2014
4P3L
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BU of 4p3l by Molmil
CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM CHROMOHALOBACTER SALEXIGENS DSM 3043 (Csal_2479), TARGET EFI-510085, WITH BOUND GLUCURONATE, SPG P6122
Descriptor: CHLORIDE ION, TRAP dicarboxylate transporter, DctP subunit, ...
Authors:Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2014-03-09
Release date:2014-04-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
4NHW
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BU of 4nhw by Molmil
Crystal structure of glutathione transferase SMc00097 from Sinorhizobium meliloti, target EFI-507275, with one glutathione bound per one protein subunit
Descriptor: GLUTATHIONE, Glutathione S-transferase
Authors:Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Imker, H.J, Al Obaidi, N, Stead, M, Love, J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-11-05
Release date:2013-11-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of glutathione transferase SMc00097 from Sinorhizobium meliloti, target EFI-507275
To be Published
4NP5
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BU of 4np5 by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS V66A/I92N at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Caro, J.A, Nam, S, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B.
Deposit date:2013-11-20
Release date:2013-12-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Pressure effects in proteins
To be Published
4NHB
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BU of 4nhb by Molmil
Crystal structure of a TRAP periplasmic solute binding protein from Desulfovibrio desulfuricans (Ddes_1525), Target EFI-510107, with bound sn-glycerol-3-phosphate
Descriptor: IODIDE ION, SN-GLYCEROL-3-PHOSPHATE, TRAP dicarboxylate transporter-DctP subunit
Authors: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)
Deposit date:2013-11-04
Release date:2013-11-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.902 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
4NF0
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BU of 4nf0 by Molmil
CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM PSEUDOMONAS AERUGINOSA PAO1 (PA4616), TARGET EFI-510182, WITH BOUND L-Malate
Descriptor: (2S)-2-hydroxybutanedioic acid, Probable c4-dicarboxylate-binding protein, SULFATE ION
Authors:Vetting, M.W, Patskovsky, Y, 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)
Deposit date:2013-10-30
Release date:2013-11-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
4NG7
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BU of 4ng7 by Molmil
Crystal structure of a TRAP periplasmic solute binding protein from Citrobacter koseri (CKO_04899), Target EFI-510094, apo, open structure
Descriptor: TRAP periplasmic solute binding protein
Authors: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)
Deposit date:2013-11-01
Release date:2013-11-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
4NQA
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BU of 4nqa by Molmil
Crystal structure of liganded hRXR-alpha/hLXR-beta heterodimer on DNA
Descriptor: (9cis)-retinoic acid, 5'-D(*TP*AP*AP*GP*GP*TP*CP*AP*CP*TP*TP*CP*AP*GP*GP*TP*CP*A)-3', 5'-D(*TP*AP*TP*GP*AP*CP*CP*TP*GP*AP*AP*GP*TP*GP*AP*CP*CP*T)-3', ...
Authors:Lou, X.H, Toresson, G, Benod, C, Suh, J.H, Phillips, K.J, Webb, P, Gustafsson, J.A.
Deposit date:2013-11-24
Release date:2014-02-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.102 Å)
Cite:Structure of the retinoid X receptor alpha-liver X receptor beta (RXR alpha-LXR beta ) heterodimer on DNA.
Nat.Struct.Mol.Biol., 21, 2014
4NUW
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BU of 4nuw by Molmil
Crystal structure of orotidine 5'-monophosphate decarboxylase from methanobacterium thermoautotrophicum complexed with uridine 5'-monophosphate
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Orotidine 5'-phosphate decarboxylase, ...
Authors:Fedorov, A.A, Fedorov, E.V, Chan, K.K, Gerlt, J.A, Almo, S.C.
Deposit date:2013-12-04
Release date:2013-12-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.591 Å)
Cite:Crystal structure of orotidine 5'-monophosphate decarboxylase from methanobacterium thermoautotrophicum complexed with uridine 5'-monophosphate
To be Published
4O01
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BU of 4o01 by Molmil
Crystal Structure of D. radiodurans Bacteriophytochrome Photosensory Core Module in its Illuminated Form
Descriptor: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome
Authors:Takala, H, Ihalainen, J.A, Westenhoff, S.
Deposit date:2013-12-13
Release date:2014-05-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.24 Å)
Cite:Signal amplification and transduction in phytochrome photosensors
Nature, 509, 2014
4NDX
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BU of 4ndx by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS I92N at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Caro, J.A, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B.
Deposit date:2013-10-28
Release date:2013-11-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.496 Å)
Cite:Polar cavities in proteins
To be Published
4NKO
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BU of 4nko by Molmil
Crystal structure of engineered anti-EE scFv antibody fragment
Descriptor: Engineered scFv
Authors:Kalyoncu, S, Hyun, J, Pai, J.C, Johnson, J.L, Etzminger, K, Jain, A, Heaner Jr, D, Molares, I.A, Truskett, T.M, Maynard, J.A, Lieberman, R.L.
Deposit date:2013-11-12
Release date:2014-03-12
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.496 Å)
Cite:Effects of protein engineering and rational mutagenesis on crystal lattice of single chain antibody fragments.
Proteins, 82, 2014
4NZV
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BU of 4nzv by Molmil
DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities
Descriptor: Exonuclease, putative, MANGANESE (II) ION
Authors:Shibata, A, Moiani, D, Arvai, A.S, Perry, J, Harding, S.M, Genois, M, Maity, R, Rossum-Fikkert, S, Kertokalio, A, Romoli, F, Ismail, A, Ismalaj, E, Petricci, E, Neale, M.J, Bristow, R.G, Masson, J, Wyman, C, Jeggo, P.A, Tainer, J.A.
Deposit date:2013-12-12
Release date:2014-01-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities.
Mol.Cell, 53, 2014
4P1E
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BU of 4p1e by Molmil
Crystal structure of a trap periplasmic solute binding protein from escherichia fergusonii (efer_1530), target EFI-510119, apo open structure, phased with iodide
Descriptor: IODIDE ION, TRAP dicarboxylate transporter, DctP subunit
Authors:Vetting, M.W, Al Obaidi, N.F, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2014-02-26
Release date:2014-03-19
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
4P6I
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BU of 4p6i by Molmil
Crystal structure of the Cas1-Cas2 complex from Escherichia coli
Descriptor: CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2
Authors:Nunez, J.K, Kranzusch, P.J, Noeske, J, Doudna, J.A.
Deposit date:2014-03-24
Release date:2014-05-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Cas1-Cas2 complex formation mediates spacer acquisition during CRISPR-Cas adaptive immunity.
Nat.Struct.Mol.Biol., 21, 2014
4P3A
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BU of 4p3a by Molmil
Crystal structure of the mouse C5a anaphylatoxin
Descriptor: Complement C5, FORMIC ACID
Authors:Yatime, L, Schatz-Jakobsen, J.A, Andersen, G.R.
Deposit date:2014-03-06
Release date:2014-06-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural and functional characterization of human and murine C5a anaphylatoxins.
Acta Crystallogr. D Biol. Crystallogr., 70, 2014
4P47
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BU of 4p47 by Molmil
CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM OCHROBACTRUM ANTHROPI (Oant_4429), TARGET EFI-510151, C-TERMIUS BOUND IN LIGAND BINDING POCKET
Descriptor: TRAP dicarboxylate transporter, DctP subunit
Authors:Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2014-03-12
Release date:2014-04-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
4P39
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BU of 4p39 by Molmil
Crystal structure of the human C5aR antagonist C5a-A8
Descriptor: Complement C5
Authors:Yatime, L, Schatz-Jakobsen, J.A, Larsen, C, Andersen, G.R.
Deposit date:2014-03-06
Release date:2014-06-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Structural and functional characterization of human and murine C5a anaphylatoxins.
Acta Crystallogr. D Biol. Crystallogr., 70, 2014

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