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4N94
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BU of 4n94 by Molmil
E. coli sliding clamp in complex with 3,4-difluorobenzamide
Descriptor: 1,2-ETHANEDIOL, 3,4-difluorobenzamide, CALCIUM ION, ...
Authors:Yin, Z, Oakley, A.J.
Deposit date:2013-10-19
Release date:2013-11-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Discovery of lead compounds targeting the bacterial sliding clamp using a fragment-based approach.
J.Med.Chem., 57, 2014
5D8B
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BU of 5d8b by Molmil
Crystal structure of T. thermophilus ribosome containing a P-site wobble mismatch
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Svidritskiy, E, Korostelev, A.A.
Deposit date:2015-08-17
Release date:2015-10-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.63 Å)
Cite:Ribosome Structure Reveals Preservation of Active Sites in the Presence of a P-Site Wobble Mismatch.
Structure, 23, 2015
1P8J
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BU of 1p8j by Molmil
CRYSTAL STRUCTURE OF THE PROPROTEIN CONVERTASE FURIN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, DECANOYL-ARG-VAL-LYS-ARG-CHLOROMETHYLKETONE INHIBITOR, ...
Authors:Henrich, S, Cameron, A, Bourenkov, G.P, Kiefersauer, R, Huber, R, Lindberg, I, Bode, W, Than, M.E.
Deposit date:2003-05-07
Release date:2003-07-08
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Crystal Structure of the Proprotein Processing Proteinase Furin Explains its Stringent Specificity
Nat.Struct.Biol., 10, 2003
4N96
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BU of 4n96 by Molmil
E. coli sliding clamp in complex with 6-nitroindazole
Descriptor: 6-NITROINDAZOLE, CALCIUM ION, CHLORIDE ION, ...
Authors:Yin, Z, Oakley, A.J.
Deposit date:2013-10-19
Release date:2013-11-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of lead compounds targeting the bacterial sliding clamp using a fragment-based approach.
J.Med.Chem., 57, 2014
5E8L
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BU of 5e8l by Molmil
Crystal structure of geranylgeranyl pyrophosphate synthase 11 from Arabidopsis thaliana
Descriptor: Heterodimeric geranylgeranyl pyrophosphate synthase large subunit 1, chloroplastic
Authors:Wang, C, Chen, Q, Fan, D, Li, J, Wang, G, Zhang, P.
Deposit date:2015-10-14
Release date:2015-11-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.807 Å)
Cite:Structural Analyses of Short-Chain Prenyltransferases Identify an Evolutionarily Conserved GFPPS Clade in Brassicaceae Plants.
Mol Plant, 9, 2016
4N9A
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BU of 4n9a by Molmil
E. coli sliding clamp in complex with (R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid
Descriptor: (1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid, CALCIUM ION, CHLORIDE ION, ...
Authors:Yin, Z, Oakley, A.J.
Deposit date:2013-10-19
Release date:2013-11-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of lead compounds targeting the bacterial sliding clamp using a fragment-based approach.
J.Med.Chem., 57, 2014
4N97
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BU of 4n97 by Molmil
E. coli sliding clamp in complex with 5-nitroindole
Descriptor: 5-nitro-1H-indole, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Yin, Z, Oakley, A.J.
Deposit date:2013-10-19
Release date:2013-11-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Discovery of lead compounds targeting the bacterial sliding clamp using a fragment-based approach.
J.Med.Chem., 57, 2014
1X0R
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BU of 1x0r by Molmil
Thioredoxin Peroxidase from Aeropyrum pernix K1
Descriptor: 1,2-ETHANEDIOL, Probable peroxiredoxin
Authors:Nakamura, T, Yamamoto, T, Inoue, T, Matsumura, H, Kobayashi, A, Hagihara, Y, Uegaki, K, Ataka, M, Kai, Y, Ishikawa, K.
Deposit date:2005-03-28
Release date:2005-12-20
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of thioredoxin peroxidase from aerobic hyperthermophilic archaeon Aeropyrum pernix K1
Proteins, 62, 2006
1WPB
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BU of 1wpb by Molmil
Structure of Escherichia coli yfbU gene product
Descriptor: CHLORIDE ION, GLYCEROL, hypothetical protein yfbU
Authors:Borek, D, Chen, Y, Zheng, M, Skarina, T, Savchenko, A, Edwards, A, Otwinowski, Z, Midwest Center for Structural Genomics (MCSG)
Deposit date:2004-09-01
Release date:2004-12-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of Escherichia coli yfbU gene product
To be Published
1XCX
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BU of 1xcx by Molmil
Acarbose Rearrangement Mechanism Implied by the Kinetic and Structural Analysis of Human Pancreatic alpha-Amylase in Complex with Analogues and Their Elongated Counterparts
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-6)-beta-D-glucopyranose, Alpha-amylase, ...
Authors:Li, C, Begum, A, Numao, S, Park, K.H, Withers, S.G, Brayer, G.D.
Deposit date:2004-09-03
Release date:2004-12-07
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Acarbose Rearrangement Mechanism Implied by the Kinetic and Structural Analysis of Human Pancreatic alpha-Amylase in Complex with Analogues and Their Elongated Counterparts
Biochemistry, 44, 2005
1XCW
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BU of 1xcw by Molmil
Acarbose Rearrangement Mechanism Implied by the Kinetic and Structural Analysis of Human Pancreatic alpha-Amylase in Complex with Analogues and Their Elongated Counterparts
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Alpha-amylase, ...
Authors:Li, C, Begum, A, Numao, S, Park, K.H, Withers, S.G, Brayer, G.D.
Deposit date:2004-09-03
Release date:2004-12-07
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Acarbose Rearrangement Mechanism Implied by the Kinetic and Structural Analysis of Human Pancreatic alpha-Amylase in Complex with Analogues and Their Elongated Counterparts
Biochemistry, 44, 2005
1XCK
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BU of 1xck by Molmil
Crystal structure of apo GroEL
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 60 kDa chaperonin, DI(HYDROXYETHYL)ETHER, ...
Authors:Bartolucci, C, Lamba, D, Grazulis, S, Manakova, E, Heumann, H.
Deposit date:2004-09-02
Release date:2005-10-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Crystal structure of wild-type chaperonin GroEL
J.Mol.Biol., 354, 2005
4KML
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BU of 4kml by Molmil
Probing the N-terminal beta-sheet conversion in the crystal structure of the full-length human prion protein bound to a Nanobody
Descriptor: Major prion protein, Nanobody
Authors:Abskharon, R.N.N, Giachin, G, Wohlkonig, A, Soror, S.H, Pardon, E, Legname, G, Steyaert, J.
Deposit date:2013-05-08
Release date:2014-02-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Probing the N-Terminal beta-Sheet Conversion in the Crystal Structure of the Human Prion Protein Bound to a Nanobody.
J.Am.Chem.Soc., 136, 2014
2A4J
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BU of 2a4j by Molmil
Solution structure of the C-terminal domain (T94-Y172) of the human centrin 2 in complex with a 17 residues peptide (P1-XPC) from xeroderma pigmentosum group C protein
Descriptor: 17-mer peptide P1-XPC from DNA-repair protein complementing XP-C cells, Centrin 2
Authors:Yang, A, Miron, S, Mouawad, L, Duchambon, P, Blouquit, Y, Craescu, C.T.
Deposit date:2005-06-29
Release date:2005-07-12
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Flexibility and plasticity of human centrin 2 binding to the xeroderma pigmentosum group C protein (XPC) from nuclear excision repair.
Biochemistry, 45, 2006
5W5T
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BU of 5w5t by Molmil
Agrobacterium tumefaciens ADP-Glucose Pyrophosphorylase bound to activator ethyl pyruvate
Descriptor: GLYCEROL, Glucose-1-phosphate adenylyltransferase, SULFATE ION, ...
Authors:Mascarenhas, R.N, Hill, B.L, Ballicora, M.A, Liu, D.
Deposit date:2017-06-15
Release date:2018-11-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structural analysis reveals a pyruvate-binding activator site in theAgrobacterium tumefaciensADP-glucose pyrophosphorylase.
J. Biol. Chem., 294, 2019
5A2Q
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BU of 5a2q by Molmil
Structure of the HCV IRES bound to the human ribosome
Descriptor: 18S RRNA, HCV IRES, MAGNESIUM ION, ...
Authors:Quade, N, Leiundgut, M, Boehringer, D, Heuvel, J.v.d, Ban, N.
Deposit date:2015-05-21
Release date:2015-07-15
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Cryo-Em Structure of Hepatitis C Virus Ires Bound to the Human Ribosome at 3.9 Angstrom Resolution
Nat.Commun., 6, 2015
4ZX8
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BU of 4zx8 by Molmil
X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 9b
Descriptor: CARBONATE ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-20
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
5W4K
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BU of 5w4k by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with Klebsazolicin and bound to mRNA and A-, P- and E-site tRNAs at 2.7A resolution
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Metelev, M, Osterman, I.A, Ghilarov, D, Khabibullina, N.F, Yakimov, A, Shabalin, K, Utkina, I, Travin, D.Y, Komarova, E.S, Serebryakova, M, Artamonova, T, Khodorkovskii, M, Konevega, A.L, Sergiev, P.V, Severinov, K, Polikanov, Y.S.
Deposit date:2017-06-12
Release date:2017-08-30
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Klebsazolicin inhibits 70S ribosome by obstructing the peptide exit tunnel.
Nat. Chem. Biol., 13, 2017
5W97
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BU of 5w97 by Molmil
Crystal Structure of CO-bound Cytochrome c Oxidase determined by Serial Femtosecond X-Ray Crystallography at Room Temperature
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Rousseau, D.L, Yeh, S.-R, Ishigami, I, Zatsepin, N.A, Grant, T.D, Fromme, P, Fromme, R.
Deposit date:2017-06-22
Release date:2017-08-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of CO-bound cytochrome c oxidase determined by serial femtosecond X-ray crystallography at room temperature.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5WFS
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BU of 5wfs by Molmil
70S ribosome-EF-Tu H84A complex with GTP and near-cognate tRNA (Complex C4)
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Fislage, M, Frank, J.
Deposit date:2017-07-12
Release date:2018-05-02
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Cryo-EM shows stages of initial codon selection on the ribosome by aa-tRNA in ternary complex with GTP and the GTPase-deficient EF-TuH84A.
Nucleic Acids Res., 46, 2018
4ZYQ
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BU of 4zyq by Molmil
X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 10s
Descriptor: CARBONATE ION, N-{(1R)-2-(hydroxyamino)-1-[3'-(N'-hydroxycarbamimidoyl)biphenyl-4-yl]-2-oxoethyl}-2,2-dimethylpropanamide, PENTAETHYLENE GLYCOL, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-22
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
5WNS
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BU of 5wns by Molmil
Crystal Structure of 30S ribosomal subunit from Thermus thermophilus
Descriptor: 16S Ribosomal RNA rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:DeMirci, H.
Deposit date:2017-08-01
Release date:2018-02-21
Last modified:2020-10-21
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:2'-O-methylation in mRNA disrupts tRNA decoding during translation elongation.
Nat. Struct. Mol. Biol., 25, 2018
6SAO
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BU of 6sao by Molmil
Structural and functional characterisation of three novel fungal amylases with enhanced stability and pH tolerance
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, ...
Authors:Roth, C, Moroz, O.V, Turkenburg, J.P, Blagova, E, Waterman, J, Ariza, A, Ming, L, Tianqi, S, Andersen, C, Davies, G.J, Wilson, K.S.
Deposit date:2019-07-17
Release date:2019-10-23
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural and Functional Characterization of Three Novel Fungal Amylases with Enhanced Stability and pH Tolerance.
Int J Mol Sci, 20, 2019
4ZY0
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BU of 4zy0 by Molmil
X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 10q
Descriptor: CARBONATE ION, GLYCEROL, N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(thiophen-3-yl)phenyl]ethyl}-2,2-dimethylpropanamide, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-21
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZY2
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BU of 4zy2 by Molmil
X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 10o
Descriptor: CARBONATE ION, DIMETHYL SULFOXIDE, N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluorobiphenyl-4-yl)ethyl]-2,2-dimethylpropanamide, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-21
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016

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