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5WNW
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BU of 5wnw by Molmil
Chaperone Spy bound to Im7 6-45 ensemble
Descriptor: CHLORIDE ION, Colicin-E7 immunity protein, IMIDAZOLE, ...
Authors:Horowitz, S, Salmon, L, Koldewey, P, Ahlstrom, L.S, Martin, R, Xu, Q, Afonine, P.V, Trievel, R.C, Brooks, C.L, Bardwell, J.C.A.
Deposit date:2017-08-01
Release date:2017-08-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Visualizing chaperone-assisted protein folding.
Nat. Struct. Mol. Biol., 23, 2016
6EA5
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BU of 6ea5 by Molmil
Structure of BDBV GPcl in complex with the pan-ebolavirus mAb ADI-15878
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADI-15878 Fab Heavy Chain, ...
Authors:King, L.B, West, B.R, Moyer, C.L, Fusco, M.L, Milligan, J.C, Hui, S, Saphire, E.O.
Deposit date:2018-08-02
Release date:2018-09-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (4.75 Å)
Cite:Structural Basis of Pan-Ebolavirus Neutralization by a Human Antibody against a Conserved, yet Cryptic Epitope.
MBio, 9, 2018
4XJK
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BU of 4xjk by Molmil
Crystal structure of Mn(II) Ca(II) Na(I) bound calprotectin
Descriptor: CALCIUM ION, MANGANESE (II) ION, Protein S100-A8, ...
Authors:Drennan, C.L, Bowman, S.E.J.
Deposit date:2015-01-08
Release date:2015-04-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Manganese Binding Properties of Human Calprotectin under Conditions of High and Low Calcium: X-ray Crystallographic and Advanced Electron Paramagnetic Resonance Spectroscopic Analysis.
J.Am.Chem.Soc., 137, 2015
4XC8
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BU of 4xc8 by Molmil
Isobutyryl-CoA mutase fused with bound butyryl-CoA, GDP, and Mg and without cobalamin (apo-IcmF/GDP)
Descriptor: Butyryl Coenzyme A, GUANOSINE-5'-DIPHOSPHATE, Isobutyryl-CoA mutase fused, ...
Authors:Jost, M, Drennan, C.L.
Deposit date:2014-12-17
Release date:2015-02-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Visualization of a radical B12 enzyme with its G-protein chaperone.
Proc.Natl.Acad.Sci.USA, 112, 2015
4XHM
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BU of 4xhm by Molmil
Archaeoglobus fulgidus thioredoxin 3 M60H
Descriptor: Thioredoxin (Trx-3)
Authors:Dey, M, Bjork, R.E, Drennan, C.L.
Deposit date:2015-01-05
Release date:2015-04-29
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Rheostat Re-Wired: Alternative Hypotheses for the Control of Thioredoxin Reduction Potentials.
Plos One, 10
1QBQ
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BU of 1qbq by Molmil
STRUCTURE OF RAT FARNESYL PROTEIN TRANSFERASE COMPLEXED WITH A CVIM PEPTIDE AND ALPHA-HYDROXYFARNESYLPHOSPHONIC ACID.
Descriptor: ACETATE ION, ACETYL-CYS-VAL-ILE-SELENOMET-COOH PEPTIDE, ALPHA-HYDROXYFARNESYLPHOSPHONIC ACID, ...
Authors:Strickland, C.L, Windsor, W.T, Syto, R, Wang, L, Bond, R, Wu, Z, Schwartz, J, Le, H.V, Beese, L.S, Weber, P.C.
Deposit date:1999-04-27
Release date:1999-06-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of farnesyl protein transferase complexed with a CaaX peptide and farnesyl diphosphate analogue
Biochemistry, 37, 1998
1QXQ
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BU of 1qxq by Molmil
STRUCTURE OF AN INDOLICIDIN PEPTIDE DERIVATIVE WITH HIGHER CHARGE
Descriptor: INDOLICIDIN DERIVATIVE
Authors:Rozek, A, Powers, J.P, Friedrich, C.L, Hancock, R.E.
Deposit date:2003-09-08
Release date:2003-12-30
Last modified:2021-10-27
Method:SOLUTION NMR
Cite:Structure-based design of an indolicidin peptide analogue with increased protease stability
Biochemistry, 42, 2003
1GYP
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BU of 1gyp by Molmil
CRYSTAL STRUCTURE OF GLYCOSOMAL GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE FROM LEISHMANIA MEXICANA: IMPLICATIONS FOR STRUCTURE-BASED DRUG DESIGN AND A NEW POSITION FOR THE INORGANIC PHOSPHATE BINDING SITE
Descriptor: GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PHOSPHATE ION
Authors:Kim, H, Feil, I.K, Verlinde, C.L.M.J, Petra, P.H, Hol, W.G.J.
Deposit date:1995-08-01
Release date:1995-12-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of glycosomal glyceraldehyde-3-phosphate dehydrogenase from Leishmania mexicana: implications for structure-based drug design and a new position for the inorganic phosphate binding site.
Biochemistry, 34, 1995
5FH8
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BU of 5fh8 by Molmil
Crystal structure of the fifth bromodomain of human PB1 in complex with compound 28
Descriptor: 1,2-ETHANEDIOL, 6-chloranyl-3-(2-ethylbutyl)-4~{H}-pyrrolo[1,2-a]quinazolin-5-one, DIMETHYL SULFOXIDE, ...
Authors:Tallant, C, Sutherell, C.L, Siejka, P, Sorrell, F.J, Krojer, T, Picaud, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Ley, S.V, Knapp, S.
Deposit date:2015-12-21
Release date:2016-06-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Identification and Development of 2,3-Dihydropyrrolo[1,2-a]quinazolin-5(1H)-one Inhibitors Targeting Bromodomains within the Switch/Sucrose Nonfermenting Complex.
J.Med.Chem., 59, 2016
5FAW
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BU of 5faw by Molmil
T502A mutant of choline TMA-lyase
Descriptor: CHOLINE ION, Choline trimethylamine-lyase, MALONATE ION, ...
Authors:Funk, M.A, Drennan, C.L.
Deposit date:2015-12-12
Release date:2016-09-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.852 Å)
Cite:Molecular Basis of C-N Bond Cleavage by the Glycyl Radical Enzyme Choline Trimethylamine-Lyase.
Cell Chem Biol, 23, 2016
2WOC
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BU of 2woc by Molmil
Crystal Structure of the dinitrogenase reductase-activating glycohydrolase (DRAG) from Rhodospirillum rubrum
Descriptor: ADP-RIBOSYL-[DINITROGEN REDUCTASE] GLYCOHYDROLASE, CHLORIDE ION, FORMIC ACID, ...
Authors:Berthold, C.L, Wang, H, Nordlund, S, Hogbom, M.
Deposit date:2009-07-23
Release date:2009-08-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mechanism of Adp-Ribosylation Removal Revealed by the Structure and Ligand Complexes of the Dimanganese Mono-Adp-Ribosylhydrolase Drag.
Proc.Natl.Acad.Sci.USA, 106, 2009
5FH6
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BU of 5fh6 by Molmil
Crystal structure of the fifth bromodomain of human PB1 in complex with compound 10
Descriptor: (3~{R})-3-(piperidin-1-ylmethyl)-2,3-dihydro-1~{H}-pyrrolo[1,2-a]quinazolin-5-one, Protein polybromo-1
Authors:Tallant, C, Sutherell, C.L, Siejka, P, Krojer, T, Picaud, S, Fonseca, M, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Ley, S.V, Knapp, S.
Deposit date:2015-12-21
Release date:2016-06-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification and Development of 2,3-Dihydropyrrolo[1,2-a]quinazolin-5(1H)-one Inhibitors Targeting Bromodomains within the Switch/Sucrose Nonfermenting Complex.
J.Med.Chem., 59, 2016
5FAU
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BU of 5fau by Molmil
wild-type choline TMA lyase in complex with choline
Descriptor: CHOLINE ION, Choline trimethylamine-lyase, GLYCEROL
Authors:Funk, M.A, Drennan, C.L.
Deposit date:2015-12-12
Release date:2016-09-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular Basis of C-N Bond Cleavage by the Glycyl Radical Enzyme Choline Trimethylamine-Lyase.
Cell Chem Biol, 23, 2016
2XUC
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BU of 2xuc by Molmil
Natural product-guided discovery of a fungal chitinase inhibitor
Descriptor: 1-methyl-3-(N-methylcarbamimidoyl)urea, CHITINASE, CHLORIDE ION, ...
Authors:Rush, C.L, Schuttelkopf, A.W, Hurtado-Guerrero, R, Blair, D.E, Ibrahim, A.F.M, Desvergnes, S, Eggleston, I.M, van Aalten, D.M.F.
Deposit date:2010-10-18
Release date:2010-10-27
Last modified:2019-01-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Natural Product-Guided Discovery of a Fungal Chitinase Inhibitor.
Chem.Biol., 17, 2010
2XHY
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BU of 2xhy by Molmil
Crystal Structure of E.coli BglA
Descriptor: 6-PHOSPHO-BETA-GLUCOSIDASE BGLA, BROMIDE ION, SULFATE ION
Authors:Totir, M, Zubieta, C, Echols, N, May, A.P, Gee, C.L, nanao, M, alber, T.
Deposit date:2010-06-24
Release date:2011-07-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Macro-to-Micro Structural Proteomics: Native Source Proteins for High-Throughput Crystallization.
Plos One, 7, 2012
2XVN
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BU of 2xvn by Molmil
A. fumigatus chitinase A1 phenyl-methylguanylurea complex
Descriptor: 1-METHYL-3-(N-PHENYLCARBAMIMIDOYL)UREA, ASPERGILLUS FUMIGATUS CHITINASE A1, CHLORIDE ION
Authors:Rush, C.L, Schuttelkopf, A.W, Hurtado-Guerrero, R, Blair, D.E, Ibrahim, A.F.M, Desvergnes, S, Eggleston, I.M, van Aalten, D.M.F.
Deposit date:2010-10-26
Release date:2010-11-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Natural Product-Guided Discovery of a Fungal Chitinase Inhibitor.
Chem.Biol., 17, 2010
4LMT
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BU of 4lmt by Molmil
Structure of The N-terminal domain of Coronavirus Nucleocapsid Protein complexed with NSC663284
Descriptor: 6-chloro-7-{[2-(morpholin-4-yl)ethyl]amino}quinoline-5,8-dione, Nucleoprotein
Authors:Lin, S.Y, Liu, C.L, Hou, M.H.
Deposit date:2013-07-11
Release date:2014-07-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Domain of Coronavirus Nucleocapsid Protein complexed with NSC663284
To be Published
4LM7
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BU of 4lm7 by Molmil
Crystal structure of HCoV-OC43 N-NTD complexed with UMP
Descriptor: Nucleoprotein, URIDINE-5'-MONOPHOSPHATE
Authors:Lin, S.Y, Liu, C.L, Hou, M.H.
Deposit date:2013-07-10
Release date:2014-05-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structural basis for the identification of the N-terminal domain of coronavirus nucleocapsid protein as an antiviral target
J.Med.Chem., 57, 2014
4M7S
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BU of 4m7s by Molmil
Crystal structure of SeMet BtrN in an OPEN conformation
Descriptor: BtrN, GLYCEROL, IMIDAZOLE, ...
Authors:Goldman, P.J, Drennan, C.L.
Deposit date:2013-08-12
Release date:2013-10-02
Last modified:2014-02-05
Method:X-RAY DIFFRACTION (2.022 Å)
Cite:X-ray analysis of butirosin biosynthetic enzyme BtrN redefines structural motifs for AdoMet radical chemistry.
Proc.Natl.Acad.Sci.USA, 110, 2013
2AKI
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BU of 2aki by Molmil
Normal mode-based flexible fitted coordinates of a translocating SecYEG protein-conducting channel into the cryo-EM map of a SecYEG-nascent chain-70S ribosome complex from E. coli
Descriptor: Preprotein translocase secE subunit, Preprotein translocase secY subunit, Protein-export membrane protein secG
Authors:Mitra, K, Schaffitzel, C, Shaikh, T, Tama, F, Jenni, S, Brooks III, C.L, Ban, N, Frank, J.
Deposit date:2005-08-03
Release date:2005-11-15
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (14.9 Å)
Cite:Structure of the E. coli protein-conducting channel bound to a translating ribosome.
Nature, 438, 2005
8V9I
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BU of 8v9i by Molmil
1-deoxy-D-xylulose 5-phosphate synthase (DXPS) from Deinococcus radiodurans with D-phenylalanine-derived triazole acetylphosphonate (D-PheTrAP) bound
Descriptor: 1-deoxy-D-xylulose-5-phosphate synthase, 2-HYDROXY BUTANE-1,4-DIOL, 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1S)-1-[(S)-(2-{1-[(1R)-1-carboxy-2-phenylethyl]-1H-1,2,3-triazol-4-yl}ethoxy)(hydroxy)phosphoryl]-1-hydroxyethyl}-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium, ...
Authors:Chen, P.Y.-T, Drennan, C.L.
Deposit date:2023-12-08
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.981 Å)
Cite:Potent Inhibition of E. coli DXP Synthase by a gem -Diaryl Bisubstrate Analog.
Acs Infect Dis., 10, 2024
6OWR
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BU of 6owr by Molmil
NMR solution structure of YfiD
Descriptor: Autonomous glycyl radical cofactor
Authors:Bowman, S.E.J, Drennan, C.L.
Deposit date:2019-05-10
Release date:2019-07-10
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structure and biochemical characterization of a spare part protein that restores activity to an oxygen-damaged glycyl radical enzyme.
J.Biol.Inorg.Chem., 24, 2019
6P4Y
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BU of 6p4y by Molmil
Crystal Structure of anti-IL-7Ralpha 4A10 Fab
Descriptor: 4A10 Fab heavy chain, 4A10 Fab light chain
Authors:Walsh, S.T.R, Kashi, L, Kohnhorst, C.L.
Deposit date:2019-05-29
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.799 Å)
Cite:New anti-IL-7R alpha monoclonal antibodies show efficacy against T cell acute lymphoblastic leukemia in pre-clinical models.
Leukemia, 34, 2020
6P67
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BU of 6p67 by Molmil
Crystal Structure of a Complex of human IL-7Ralpha with an anti-IL-7Ralpha 2B8 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Anti-IL-7R 2B8 Fab heavy chain, ...
Authors:Walsh, S.T.R, Kashi, L, Kohnhorst, C.L.
Deposit date:2019-06-03
Release date:2019-09-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:New anti-IL-7R alpha monoclonal antibodies show efficacy against T cell acute lymphoblastic leukemia in pre-clinical models.
Leukemia, 34, 2020
6P50
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BU of 6p50 by Molmil
Crystal Structure of a Complex of human IL-7Ralpha with an anti-IL-7Ralpha Fab 4A10
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-7 receptor subunit alpha, anti-IL-7R 4A10 Fab heavy chain, ...
Authors:Walsh, S.T.R, Kashi, L, Kohnhorst, C.L.
Deposit date:2019-05-29
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:New anti-IL-7R alpha monoclonal antibodies show efficacy against T cell acute lymphoblastic leukemia in pre-clinical models.
Leukemia, 34, 2020

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