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5K2F
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BU of 5k2f by Molmil
Structure of NNQQNY from yeast prion Sup35 with cadmium acetate determined by MicroED
Descriptor: ACETATE ION, CADMIUM ION, Eukaryotic peptide chain release factor GTP-binding subunit
Authors:Rodriguez, J.A, Sawaya, M.R, Cascio, D, Eisenberg, D.S.
Deposit date:2016-05-18
Release date:2016-09-14
Last modified:2024-03-06
Method:ELECTRON CRYSTALLOGRAPHY (1 Å)
Cite:Ab initio structure determination from prion nanocrystals at atomic resolution by MicroED.
Proc.Natl.Acad.Sci.USA, 113, 2016
5K2R
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BU of 5k2r by Molmil
Crystal structure of lysozyme
Descriptor: Lysozyme C
Authors:Ko, S, Choe, J.
Deposit date:2016-05-19
Release date:2017-05-31
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of lysozyme with nano particles
To Be Published
6JCB
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BU of 6jcb by Molmil
Crystal structure of aminotransferase CrmG from Actinoalloteichus sp. WH1-2216-6 in C2 space group
Descriptor: CrmG
Authors:Xu, J, Liu, J.
Deposit date:2019-01-28
Release date:2020-02-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural studies reveal flexible roof of active site responsible for omega-transaminase CrmG overcoming by-product inhibition.
Commun Biol, 3, 2020
5MY0
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BU of 5my0 by Molmil
KS-MAT DI-DOMAIN OF MOUSE FAS WITH MALONYL-COA
Descriptor: COENZYME A, Fatty acid synthase, MALONYL-COENZYME A
Authors:Paithankar, K.S, Rittner, A, Huu, K.V, Grininger, M.
Deposit date:2017-01-25
Release date:2018-01-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Characterization of the Polyspecific Transferase of Murine Type I Fatty Acid Synthase (FAS) and Implications for Polyketide Synthase (PKS) Engineering.
ACS Chem. Biol., 13, 2018
5MPS
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BU of 5mps by Molmil
Structure of a spliceosome remodeled for exon ligation
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, MAGNESIUM ION, ...
Authors:Fica, S.M, Oubridge, C, Galej, W.P, Wilkinson, M.E, Newman, A.J, Bai, X.-C, Nagai, K.
Deposit date:2016-12-18
Release date:2017-01-18
Last modified:2020-10-07
Method:ELECTRON MICROSCOPY (3.85 Å)
Cite:Structure of a spliceosome remodelled for exon ligation.
Nature, 542, 2017
6JHJ
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BU of 6jhj by Molmil
Structure of Marine bacterial laminarinase mutant-E135A
Descriptor: CALCIUM ION, LamCAT
Authors:Yang, J, Xu, Y, Miyakawa, T, Tanokura, M, Long, L.
Deposit date:2019-02-18
Release date:2019-04-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Molecular Basis for Substrate Recognition and Catalysis by a Marine Bacterial Laminarinase.
Appl.Environ.Microbiol., 86, 2020
5MNV
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BU of 5mnv by Molmil
Structural and functional characterization of OleP in complex with 6DEB in PEG
Descriptor: 6-DEOXYERYTHRONOLIDE B, Cytochrome P-450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Parisi, G, Savino, C, Montemiglio, L.C.
Deposit date:2016-12-13
Release date:2018-02-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.97 Å)
Cite:Substrate-induced conformational change in cytochrome P450 OleP.
FASEB J., 33, 2019
5TUS
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BU of 5tus by Molmil
Potent competitive inhibition of human ribonucleotide reductase by a novel non-nucleoside small molecule
Descriptor: 2-hydroxy-N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylidene]benzohydrazide, MAGNESIUM ION, Ribonucleoside-diphosphate reductase large subunit, ...
Authors:Mohammed, F.A, Alam, I, Dealwis, C.G.
Deposit date:2016-11-07
Release date:2017-08-02
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Potent competitive inhibition of human ribonucleotide reductase by a nonnucleoside small molecule.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5K1C
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BU of 5k1c by Molmil
Crystal structure of the UAF1/WDR20/USP12 complex
Descriptor: PHOSPHATE ION, TRIS(HYDROXYETHYL)AMINOMETHANE, Ubiquitin carboxyl-terminal hydrolase 12, ...
Authors:Li, H, D'Andrea, A.D, Zheng, N.
Deposit date:2016-05-18
Release date:2016-07-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Allosteric Activation of Ubiquitin-Specific Proteases by beta-Propeller Proteins UAF1 and WDR20.
Mol.Cell, 63, 2016
1F5C
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BU of 1f5c by Molmil
CRYSTAL STRUCTURE OF F25H FERREDOXIN 1 MUTANT FROM AZOTOBACTER VINELANDII AT 1.75 ANGSTROM RESOLUTION
Descriptor: FE3-S4 CLUSTER, FERREDOXIN 1, IRON/SULFUR CLUSTER, ...
Authors:Chen, K, Bonagura, C.A, Tilley, G.J, Jung, Y.S, Armstrong, F.A, Stout, C.D, Burgess, B.K.
Deposit date:2000-06-13
Release date:2000-06-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structures of ferredoxin variants exhibiting large changes in [Fe-S] reduction potential.
Nat.Struct.Biol., 9, 2002
5K2E
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BU of 5k2e by Molmil
Structure of NNQQNY from yeast prion Sup35 with zinc acetate determined by MicroED
Descriptor: ACETIC ACID, Eukaryotic peptide chain release factor GTP-binding subunit, ZINC ION
Authors:Rodriguez, J.A, Sawaya, M.R, Cascio, D, Eisenberg, D.S.
Deposit date:2016-05-18
Release date:2016-09-14
Last modified:2024-03-06
Method:ELECTRON CRYSTALLOGRAPHY (1 Å)
Cite:Ab initio structure determination from prion nanocrystals at atomic resolution by MicroED.
Proc.Natl.Acad.Sci.USA, 113, 2016
5TQU
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BU of 5tqu by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor
Descriptor: 2-[2-[[3-(1~{H}-benzimidazol-2-ylamino)propylamino]methyl]-4,6-bis(chloranyl)indol-1-yl]ethanol, GLYCEROL, METHIONINE, ...
Authors:Barros-Alvarez, X, Hol, W.G.J.
Deposit date:2016-10-24
Release date:2017-04-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:From Cells to Mice to Target: Characterization of NEU-1053 (SB-443342) and Its Analogues for Treatment of Human African Trypanosomiasis.
ACS Infect Dis, 3, 2017
1F15
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BU of 1f15 by Molmil
CUCUMBER MOSAIC VIRUS (STRAIN FNY)
Descriptor: COAT PROTEIN
Authors:Smith, T.J, Chase, E, Schmidt, T, Perry, K.
Deposit date:2000-05-18
Release date:2000-06-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The structure of cucumber mosaic virus and comparison to cowpea chlorotic mottle virus.
J.Virol., 74, 2000
5K2X
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BU of 5k2x by Molmil
Crystal structure of M. tuberculosis UspC (tetragonal crystal form)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, IODIDE ION, ...
Authors:Futterer, K, Fullam, E, Besra, G.S.
Deposit date:2016-05-19
Release date:2016-06-01
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural and functional analysis of the solute-binding protein UspC from Mycobacterium tuberculosis that is specific for amino sugars.
Open Biology, 6, 2016
6J4D
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BU of 6j4d by Molmil
Crystal structure of MarH, an epimerase for biosynthesis of Maremycins in Streptomyces, under pH 4.7, without Zn
Descriptor: CITRATE ANION, Cupin superfamily protein, GLYCEROL
Authors:Hou, Y, Liu, B, Hu, K, Zhang, R.
Deposit date:2019-01-08
Release date:2020-01-15
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural Basis for the Isomerization Mechanism of MarH
To Be Published
6JR7
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BU of 6jr7 by Molmil
Flavobacterium johnsoniae GH31 dextranase, FjDex31A, complexed with glucose
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, Candidate alpha-glycosidase Glycoside hydrolase family 31, ...
Authors:Tonozuka, T.
Deposit date:2019-04-02
Release date:2019-04-24
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural insights into polysaccharide recognition by Flavobacterium johnsoniae dextranase, a member of glycoside hydrolase family 31.
Febs J., 287, 2020
6JAE
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BU of 6jae by Molmil
Crystal structure of Trypanosoma brucei gambiense glycerol kinase complex with Pi (pyrophosphatase reaction)
Descriptor: GLYCEROL, Glycerol kinase, PHOSPHATE ION
Authors:Balogun, E.O, Chishima, T, Ichinose, M, Inaoka, D.K, Kido, Y, Ibrahim, B, Bringaud, F, de Koning, H, McKerrow, J.H, Watanabe, Y, Nozaki, T, Michels, P.A.M, Harada, S, Kita, K, Shiba, T.
Deposit date:2019-01-24
Release date:2020-01-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Glycerol Kinase of African Human Trypanosomes Possesses a Pyrophosphatase Activity.
To Be Published
5TSO
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BU of 5tso by Molmil
CRYSTAL STRUCTURE OF GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE FROM PIG MUSCLE COMPLEXED WITH ORTHOPHENANTHROLINE AT 1.90 ANGSTROM RESOLUTION
Descriptor: 1,10-PHENANTHROLINE, GLYCEROL, Glyceraldehyde-3-phosphate dehydrogenase, ...
Authors:Dimova, M, Devedjiev, Y.D.
Deposit date:2016-10-30
Release date:2017-05-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Novel Enhancer Binding Site Found In Bacteria And Eukaryota But Not In Archea.
To Be Published
5KBI
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BU of 5kbi by Molmil
CRYSTAL STRUCTURE OF THE AROMATIC SENSOR DOMAIN OF MOPR IN COMPLEX WITH CATACHOL
Descriptor: CATECHOL, MopR, ZINC ION
Authors:Ray, S, Anand, R, Panjikar, S.
Deposit date:2016-06-03
Release date:2016-07-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural Basis of Selective Aromatic Pollutant Sensing by the Effector Binding Domain of MopR, an NtrC Family Transcriptional Regulator.
Acs Chem.Biol., 11, 2016
6JC5
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BU of 6jc5 by Molmil
Crystal structure of the blue fluorescent protein with a Leu-Leu-Gly tri-peptide chromophore derived from the purple chromoprotein of Stichodactyla haddoni
Descriptor: shBFP
Authors:Ko, T.P, Huang, K.F, Chang, H.Y.
Deposit date:2019-01-28
Release date:2019-03-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.051 Å)
Cite:Crystal structure of the blue fluorescent protein with a Leu-Leu-Gly tri-peptide chromophore derived from the purple chromoprotein of Stichodactyla haddoni.
Int. J. Biol. Macromol., 130, 2019
1F5B
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BU of 1f5b by Molmil
CRYSTAL STRUCTURE OF F2H FERREDOXIN 1 MUTANT FROM AZOTOBACTER VINELANDII AT 1.75 ANGSTROM RESOLUTION
Descriptor: FE3-S4 CLUSTER, FERREDOXIN 1, IRON/SULFUR CLUSTER
Authors:Chen, K, Bonagura, C.A, Tilley, G.J, Jung, Y.S, Armstrong, F.A, Stout, C.D, Burgess, B.K.
Deposit date:2000-06-13
Release date:2000-06-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Crystal structures of ferredoxin variants exhibiting large changes in [Fe-S] reduction potential.
Nat.Struct.Biol., 9, 2002
5K7K
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BU of 5k7k by Molmil
Design and Optimization of Biaryl Ether Aryl Sulfonamides as Selective Inhibitors of NaV1.7: Discovery of Clinical Candidate PF-05089771
Descriptor: 4-[4-chloranyl-2-(1~{H}-pyrazol-4-yl)phenoxy]-3-cyano-~{N}-(1,3-thiazol-2-yl)benzenesulfonamide, Cytochrome P450 2C9, PROTOPORPHYRIN IX CONTAINING FE
Authors:Swain, N, Chrencik, J.
Deposit date:2016-05-26
Release date:2017-06-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of Clinical Candidate 4-[2-(5-Amino-1H-pyrazol-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-1,3-thiazol-4-ylbenzenesulfonamide (PF-05089771): Design and Optimization of Diaryl Ether Aryl Sulfonamides as Selective Inhibitors of NaV1.7.
J. Med. Chem., 60, 2017
5MXJ
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BU of 5mxj by Molmil
Structure of the Y108F mutant of vanillyl alcohol oxidase
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Vanillyl-alcohol oxidase
Authors:Ewing, T.A, Nguyen, Q.-T, Allan, R.C, Gygli, G, Romero, E, Binda, C, Fraaije, M.W, Mattevi, A, van Berkel, W.J.H.
Deposit date:2017-01-23
Release date:2017-07-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Two tyrosine residues, Tyr-108 and Tyr-503, are responsible for the deprotonation of phenolic substrates in vanillyl-alcohol oxidase.
J. Biol. Chem., 292, 2017
5MTW
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BU of 5mtw by Molmil
Mycobacterium tuberculosis Rv1957 SecB-like chaperone in complex with a ChAD peptide from Rv1956 HigA1 antitoxin
Descriptor: Antitoxin HigA1, CALCIUM ION, DIMETHYL SULFOXIDE, ...
Authors:Guillet, V, Mourey, L.
Deposit date:2017-01-10
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structural insights into chaperone addiction of toxin-antitoxin systems.
Nat Commun, 10, 2019
6JF4
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BU of 6jf4 by Molmil
K1U bound crystal structure of class I type b peptide deformylase from Acinetobacter baumannii
Descriptor: (3R)-3-benzyl-4-oxo-4-[(2-oxo-2-phenylethyl)sulfanyl]butanoic acid, Peptide deformylase, ZINC ION
Authors:Lee, I.H, Ho, T.H, Kang, L.W.
Deposit date:2019-02-08
Release date:2020-02-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:K1U bound crystal structure of class I type b peptide deformylase from Acinetobacter baumannii
To be published

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