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2A6Q
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BU of 2a6q by Molmil
Crystal structure of YefM-YoeB complex
Descriptor: Antitoxin yefM, Toxin yoeB
Authors:Kamada, K, Hanaoka, F.
Deposit date:2005-07-04
Release date:2005-08-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Conformational Change in the Catalytic Site of the Ribonuclease YoeB Toxin by YefM Antitoxin
Mol.Cell, 19, 2005
2ADV
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BU of 2adv by Molmil
Crystal Structures Of Glutaryl 7-Aminocephalosporanic Acid Acylase: mutational study of activation mechanism
Descriptor: Glutaryl 7- Aminocephalosporanic Acid Acylase
Authors:Kim, J.K, Yang, I.S, Shin, H.J, Cho, K.J, Ryu, E.K, Kim, S.H, Park, S.S, Kim, K.H.
Deposit date:2005-07-21
Release date:2006-01-24
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.244 Å)
Cite:Insight into autoproteolytic activation from the structure of cephalosporin acylase: a protein with two proteolytic chemistries.
Proc.Natl.Acad.Sci.USA, 103, 2006
2ABW
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BU of 2abw by Molmil
Glutaminase subunit of the plasmodial PLP synthase (Vitamin B6 biosynthesis)
Descriptor: Pdx2 protein, TETRAETHYLENE GLYCOL
Authors:Gengenbacher, M, Fitzpatrick, T.B, Raschle, T, Flicker, K, Sinning, I, Mueller, S, Macheroux, P, Tews, I, Kappes, B.
Deposit date:2005-07-17
Release date:2006-01-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Vitamin B6 Biosynthesis by the Malaria Parasite Plasmodium falciparum: Biochemical and structural insights
J.Biol.Chem., 281, 2006
6FNC
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BU of 6fnc by Molmil
Mono- and bivalent 14-3-3 inhibitors for characterizing supramolecular lysine-PEG interactions in proteins
Descriptor: 14-3-3 protein zeta/delta, BENZOIC ACID, CALCIUM ION, ...
Authors:Bier, D, Ottann, C.
Deposit date:2018-02-02
Release date:2018-07-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Mono- and Bivalent 14-3-3 Inhibitors for Characterizing Supramolecular "Lysine Wrapping" of Oligoethylene Glycol (OEG) Moieties in Proteins.
Chemistry, 24, 2018
6FPS
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BU of 6fps by Molmil
Crystal structure of 4-oxalocrotonate tautomerase triple mutant L8Y/M45Y/F50A
Descriptor: 2-hydroxymuconate tautomerase, GLYCEROL, PHOSPHATE ION
Authors:Pijning, T, Thunnissen, A.M.W.H.
Deposit date:2018-02-12
Release date:2019-03-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Enantioselective Synthesis of Pharmaceutically Active gamma-Aminobutyric Acids Using a Tailor-Made Artificial Michaelase in One-Pot Cascade Reactions.
ACS Catal, 9, 2019
2A3Q
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BU of 2a3q by Molmil
X-Ray Structure of Protein from Mus Musculus MM.29898
Descriptor: hypothetical protein
Authors:Wesenberg, G.E, Phillips Jr, G.N, Mccoy, J.G, Bitto, E, Bingman, C.A, Allard, S.T.M, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2005-06-25
Release date:2005-07-19
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:X-Ray Structure of Protein from Mus Musculus MM.29898
To be Published
2AA2
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BU of 2aa2 by Molmil
Mineralocorticoid Receptor with Bound Aldosterone
Descriptor: ALDOSTERONE, GLYCEROL, Mineralocorticoid receptor, ...
Authors:Bledsoe, R.K, Madauss, K.P, Holt, J.A, Apolito, C.J, Lambert, M.H, Pearce, K.H, Stanley, T.B, Stewart, E.L, Trump, R.P, Willson, T.M, Williams, S.P.
Deposit date:2005-07-13
Release date:2005-07-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A Ligand-mediated Hydrogen Bond Network Required for the Activation of the Mineralocorticoid Receptor
J.Biol.Chem., 280, 2005
6FUA
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BU of 6fua by Molmil
ATP phosphoribosyltransferase (HisZG ATPPRT) from Psychrobacter arcticus in complex with PRPP and ADP
Descriptor: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, ADENOSINE-5'-DIPHOSPHATE, ATP phosphoribosyltransferase, ...
Authors:Alphey, M.S, Ge, Y, Fisher, G, Czekster, C.M, Naismith, J.H, da Silva, R.G.
Deposit date:2018-02-26
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Catalytic and Anticatalytic Snapshots of a Short-Form ATP Phosphoribosyltransferase
Acs Catalysis, 2018
6FSG
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BU of 6fsg by Molmil
Crystal structure of oxidised Flavodoxin 1 from Bacillus cereus (1.27 A resolution)
Descriptor: FLAVIN MONONUCLEOTIDE, Flavodoxin, SULFATE ION, ...
Authors:Gudim, I, Lofstad, M, Hersleth, H.-P.
Deposit date:2018-02-19
Release date:2018-07-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:High-resolution crystal structures reveal a mixture of conformers of the Gly61-Asp62 peptide bond in an oxidized flavodoxin from Bacillus cereus.
Protein Sci., 27, 2018
6FYL
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BU of 6fyl by Molmil
X-ray structure of CLK2-KD(136-496)/CX-4945 at 1.95A
Descriptor: 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, Dual specificity protein kinase CLK2
Authors:Kallen, J.
Deposit date:2018-03-12
Release date:2018-07-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:X-ray Structures and Feasibility Assessment of CLK2 Inhibitors for Phelan-McDermid Syndrome.
ChemMedChem, 13, 2018
6G1O
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BU of 6g1o by Molmil
Structure of Pseudomonas aeruginosa Isocitrate Lyase, ICL
Descriptor: CALCIUM ION, GLYOXYLIC ACID, Isocitrate lyase
Authors:Crousilles, A, Welch, M.
Deposit date:2018-03-21
Release date:2018-08-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.882 Å)
Cite:Gluconeogenic precursor availability regulates flux through the glyoxylate shunt inPseudomonas aeruginosa.
J. Biol. Chem., 293, 2018
6G8D
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BU of 6g8d by Molmil
Crystal Structure of the Amyloid-like LNIYQY segment from the R1 repeat of the E. coli Biofilm-associated CsgA Curli protein
Descriptor: Major curlin subunit
Authors:Landau, M, Perov, S.
Deposit date:2018-04-08
Release date:2019-04-24
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural Insights into Curli CsgA Cross-beta Fibril Architecture Inspire Repurposing of Anti-amyloid Compounds as Anti-biofilm Agents.
Plos Pathog., 15, 2019
6G9G
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BU of 6g9g by Molmil
Crystal Structure of the TASNSS segment from the R4-R5 loop of the E. coli Biofilm-associated CsgA Curli protein
Descriptor: Major curlin subunit
Authors:Landau, M, Perov, S.
Deposit date:2018-04-10
Release date:2019-04-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Insights into Curli CsgA Cross-beta Fibril Architecture Inspire Repurposing of Anti-amyloid Compounds as Anti-biofilm Agents.
Plos Pathog., 15, 2019
6G8E
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BU of 6g8e by Molmil
Crystal Structure of the Amyloid-like VTQVGF segment from the R5 repeat of the E. coli Biofilm-associated CsgA Curli protein
Descriptor: Major curlin subunit
Authors:Landau, M, Perov, S.
Deposit date:2018-04-08
Release date:2019-04-24
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Insights into Curli CsgA Cross-beta Fibril Architecture Inspire Repurposing of Anti-amyloid Compounds as Anti-biofilm Agents.
Plos Pathog., 15, 2019
6FME
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BU of 6fme by Molmil
Structure of sucrose phosphorylase from Bifidobacterium adolescentis bound to glycosylated resveratrol
Descriptor: GLYCEROL, Sucrose phosphorylase
Authors:Grimm, C, Kraus, M.
Deposit date:2018-01-31
Release date:2019-03-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Structure of sucrose phosphorylase from Bifidobacterium adolescentis bound to glycosylated resveratrol
To Be Published
4M98
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BU of 4m98 by Molmil
Acetyltransferase domain of PglB from Neisseria gonorrhoeae FA1090
Descriptor: Pilin glycosylation protein
Authors:Morrison, M.J, Imperiali, B.
Deposit date:2013-08-14
Release date:2013-10-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Biochemical analysis and structure determination of bacterial acetyltransferases responsible for the biosynthesis of UDP-N,N'-diacetylbacillosamine.
J.Biol.Chem., 288, 2013
4M55
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BU of 4m55 by Molmil
Crystal structure of Human UDP-xylose synthase R236H substitution
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PYROPHOSPHATE 2-, SULFATE ION, ...
Authors:Walsh Jr, R.M, Polizzi, S.J, Wood, Z.A.
Deposit date:2013-08-08
Release date:2013-08-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Man o' war mutation in UDP-alpha-D-xylose synthase favors the abortive catalytic cycle and uncovers a latent potential for hexamer formation.
Biochemistry, 54, 2015
4MCA
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BU of 4mca by Molmil
Crystal Structure of Glycerol Dehydrogenase from Serratia to 1.9A
Descriptor: GLYCEROL, Glycerol dehydrogenase, SODIUM ION, ...
Authors:Musille, P.M, Ortlund, E.A.
Deposit date:2013-08-21
Release date:2014-02-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of glycerol dehydrogenase from Serratia
Acta Crystallogr.,Sect.F, 2014
4MEI
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BU of 4mei by Molmil
Crystal structure of a VirB8 Type IV secretion system machinery soluble domain from Bartonella tribocorum
Descriptor: VirB8 protein
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-08-26
Release date:2014-03-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural Insight into How Bacteria Prevent Interference between Multiple Divergent Type IV Secretion Systems.
MBio, 6, 2015
4MEP
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BU of 4mep by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a 3-chloro-pyridone ligand
Descriptor: 3-chloro-5-[1-(3-methylpyridin-2-yl)-3-phenyl-1H-1,2,4-triazol-5-yl]pyridin-2(1H)-one, Bromodomain-containing protein 4
Authors:Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, Vidler, L.R, Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Hoelder, S, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-08-27
Release date:2013-09-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of Novel Small-Molecule Inhibitors of BRD4 Using Structure-Based Virtual Screening.
J.Med.Chem., 56, 2013
4LP0
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BU of 4lp0 by Molmil
Crystal structure of a topoisomerase ATP inhibitor
Descriptor: 6'-[(ethylcarbamoyl)amino]-4'-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3'-bipyridine-5-carboxylic acid, Topoisomerase IV subunit B
Authors:Basarab, G.S, Manchester, J.I, Bist, S, Boriack-Sjodin, P.A, Dangel, B, Illingsworth, R, Uria-Nickelsen, M, Sherer, B.A, Sriram, S, Eakin, A.E.
Deposit date:2013-07-14
Release date:2013-11-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Fragment-to-Hit-to-Lead Discovery of a Novel Pyridylurea Scaffold of ATP Competitive Dual Targeting Type II Topoisomerase Inhibiting Antibacterial Agents.
J.Med.Chem., 56, 2013
4LPB
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BU of 4lpb by Molmil
Crystal structure of a topoisomerase ATPase inhibitor
Descriptor: 1-ethyl-3-{5'-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3'-bipyridin-6-yl}urea, Topoisomerase IV subunit B
Authors:Boriack-Sjodin, A.
Deposit date:2013-07-15
Release date:2013-10-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Fragment-to-Hit-to-Lead Discovery of a Novel Pyridylurea Scaffold of ATP Competitive Dual Targeting Type II Topoisomerase Inhibiting Antibacterial Agents.
J.Med.Chem., 56, 2013
4LQU
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BU of 4lqu by Molmil
1.60A resolution crystal structure of a superfolder green fluorescent protein (W57G) mutant
Descriptor: Green fluorescent protein
Authors:Lovell, S, Xia, Y, Vo, B, Battaile, K.P, Egan, C, Karanicolas, J.
Deposit date:2013-07-19
Release date:2013-12-18
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The designability of protein switches by chemical rescue of structure: mechanisms of inactivation and reactivation.
J.Am.Chem.Soc., 135, 2013
4LRG
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BU of 4lrg by Molmil
Structure of BRD4 bromodomain 1 with a dimethyl thiophene isoxazole azepine carboxamide
Descriptor: 2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-[1,2]oxazolo[5,4-c]thieno[2,3-e]azepin-6-yl]acetamide, Bromodomain-containing protein 4
Authors:Ravichandran, S, Jayaram, H, Poy, F, Gehling, V, Hewitt, M, Vaswani, R, Leblanc, Y, Cote, A, Nasveschuk, C, Taylor, A, Harmange, J.-C, Audia, J, Pardo, E, Joshi, S, Sandy, P, Mertz, J, Sims, R, Bergeron, L, Bryant, B, Yellapuntala, S, Nandana, B.S, Birudukota, S, Albrecht, B, Bellon, S.
Deposit date:2013-07-19
Release date:2013-08-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Discovery, Design, and Optimization of Isoxazole Azepine BET Inhibitors.
ACS Med Chem Lett, 4, 2013
4LU4
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BU of 4lu4 by Molmil
Crystal Structure of the N-terminal Fic Domain of a Putative Cell Filamentation protein (VirB-translocated Bep effector protein) from Bartonella quintana
Descriptor: BROMIDE ION, CHLORIDE ION, IODIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-07-24
Release date:2014-08-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Evolutionary Diversification of Host-Targeted Bartonella Effectors Proteins Derived from a Conserved FicTA Toxin-Antitoxin Module.
Microorganisms, 9, 2021

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