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6WJO
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BU of 6wjo by Molmil
Crystal structure of wild-type Arginine Repressor from the pathogenic bacterium Corynebacterium pseudotuberculosis bound to tyrosine
Descriptor: Arginine repressor, SODIUM ION, SULFATE ION, ...
Authors:Nascimento, A.F.Z, Hernandez-Gonzalez, J.E, de Morais, M.A.B, Murakami, M.T, Carareto, C.M.A, Arni, R.K, Mariutti, R.B.
Deposit date:2020-04-14
Release date:2020-04-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.693 Å)
Cite:A single P115Q mutation modulates specificity in the Corynebacterium pseudotuberculosis arginine repressor.
Biochim Biophys Acta Gen Subj, 1864, 2020
6VYW
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BU of 6vyw by Molmil
Escherichia coli transcription-translation complex C3 (TTC-C3) containing mRNA with a 27 nt long spacer, NusG, and fMet-tRNAs at E-site and P-site
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S1, ...
Authors:Molodtsov, V, Wang, C, Su, M, Ebright, R.H.
Deposit date:2020-02-27
Release date:2020-09-02
Last modified:2020-09-23
Method:ELECTRON MICROSCOPY (7 Å)
Cite:Structural basis of transcription-translation coupling.
Science, 369, 2020
1ODB
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BU of 1odb by Molmil
THE CRYSTAL STRUCTURE OF HUMAN S100A12 - COPPER COMPLEX
Descriptor: CALCIUM ION, CALGRANULIN C, COPPER (II) ION
Authors:Moroz, O.V, Antson, A.A, Grist, S.J, Maitland, N.J, Dodson, G.G, Wilson, K.S, Lukanidin, E.M, Bronstein, I.B.
Deposit date:2003-02-15
Release date:2003-06-12
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Structure of the Human S100A12-Copper Complex: Implications for Host-Parasite Defence
Acta Crystallogr.,Sect.D, 59, 2003
4Y3I
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BU of 4y3i by Molmil
PAS-GAF fragment from Deinococcus radiodurans BphP assembled with BV - Y307S, low dose
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:Li, F, Burgie, E.S, Yu, T, Heroux, A, Schatz, G.C, Vierstra, R.D, Orville, A.M.
Deposit date:2015-02-10
Release date:2015-05-20
Last modified:2019-11-27
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:X-ray radiation induces deprotonation of the bilin chromophore in crystalline D. radiodurans phytochrome.
J.Am.Chem.Soc., 137, 2015
6CCM
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BU of 6ccm by Molmil
Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 2-((3-bromobenzyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Descriptor: 2-{[(3-bromophenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-one, Phosphopantetheine adenylyltransferase, SULFATE ION
Authors:Mamo, M, Appleton, B.A.
Deposit date:2018-02-07
Release date:2018-03-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria.
J. Med. Chem., 61, 2018
6CCS
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BU of 6ccs by Molmil
Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 2-(trifluoromethyl)-1H-benzo[d]imidazol-4-ol
Descriptor: 2-(trifluoromethyl)-1H-benzimidazol-7-ol, Phosphopantetheine adenylyltransferase, SULFATE ION
Authors:Mamo, M, Appleton, B.A.
Deposit date:2018-02-07
Release date:2018-03-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria.
J. Med. Chem., 61, 2018
2O5E
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BU of 2o5e by Molmil
Structure of E. coli topoisomerase III in complex with an 8-base single stranded oligonucleotide. Frozen in glucose pH 7.0
Descriptor: 5'-D(*CP*GP*CP*AP*AP*CP*TP*T)-3', CHLORIDE ION, DNA topoisomerase 3, ...
Authors:Changela, A, DiGate, R.J, Mondragon, A.
Deposit date:2006-12-05
Release date:2007-04-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Studies of E. coli Topoisomerase III-DNA Complexes Reveal a Novel Type IA Topoisomerase-DNA Conformational Intermediate.
J.Mol.Biol., 368, 2007
3J46
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BU of 3j46 by Molmil
Structure of the SecY protein translocation channel in action
Descriptor: 23S ribosomal RNA, 50S ribosomal protein L1, 50S ribosomal protein L23P, ...
Authors:Akey, C.W, Park, E, Menetret, J.F, Gumbart, J.C, Ludtke, S.J, Li, W, Whynot, A, Rapoport, T.A.
Deposit date:2013-06-18
Release date:2013-10-23
Last modified:2019-07-03
Method:ELECTRON MICROSCOPY (10.1 Å)
Cite:Structure of the SecY channel during initiation of protein translocation.
Nature, 506, 2013
2O54
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BU of 2o54 by Molmil
Structure of E. coli topoisomerase III in complex with an 8-base single stranded oligonucleotide. Frozen in glycerol at pH 7.0
Descriptor: 5'-D(*CP*GP*CP*AP*AP*CP*TP*T)-3', ACETIC ACID, CHLORIDE ION, ...
Authors:Changela, A, Digate, R.J, Mondragon, A.
Deposit date:2006-12-05
Release date:2007-04-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Studies of E. coli Topoisomerase III-DNA Complexes Reveal a Novel Type IA Topoisomerase-DNA Conformational Intermediate.
J.Mol.Biol., 368, 2007
8Q8O
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BU of 8q8o by Molmil
PA14_16140 protein: the regulator of an operon involved in the biofilm formation in PA14 P. aeruginosa
Descriptor: DUF2170 family protein, GLYCEROL, Tb-Xo4
Authors:Broutin, I, Phan, G, Girard, E.
Deposit date:2023-08-18
Release date:2024-02-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:BacA: a possible regulator that contributes to the biofilm formation of Pseudomonas aeruginosa .
Front Microbiol, 15, 2024
6CCO
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BU of 6cco by Molmil
Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 3-((1S,2S)-2-(4-hydroxy-1H-benzo[d]imidazol-2-yl)cyclopentyl)benzoic acid
Descriptor: 3-[(1S,2S)-2-(7-hydroxy-1H-benzimidazol-2-yl)cyclopentyl]benzoic acid, Phosphopantetheine adenylyltransferase, SULFATE ION
Authors:Mamo, M, Appleton, B.A.
Deposit date:2018-02-07
Release date:2018-03-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria.
J. Med. Chem., 61, 2018
6CCQ
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BU of 6ccq by Molmil
Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 2-(3-chlorophenethyl)-1H-benzo[d]imidazol-4-ol
Descriptor: 2-[2-(3-chlorophenyl)ethyl]-1H-benzimidazol-7-ol, Phosphopantetheine adenylyltransferase, SULFATE ION
Authors:Mamo, M, Appleton, B.A.
Deposit date:2018-02-07
Release date:2018-03-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria.
J. Med. Chem., 61, 2018
6HL3
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BU of 6hl3 by Molmil
wild-type NuoEF from Aquifex aeolicus - oxidized form bound to NAD+
Descriptor: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Gerhardt, S, Friedrich, T, Einsle, O, Gnandt, E, Schulte, M, Fiegen, D.
Deposit date:2018-09-10
Release date:2019-06-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I.
Nat Commun, 10, 2019
6HLM
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BU of 6hlm by Molmil
Variant G129D of NuoEF from Aquifex aeolicus bound to NAD+
Descriptor: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
Authors:Gerhardt, S, Friedrich, T, Einsle, O, Gnandt, E, Schulte, M, Fiegen, D.
Deposit date:2018-09-11
Release date:2019-06-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I.
Nat Commun, 10, 2019
4YSW
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BU of 4ysw by Molmil
Structure of rat xanthine oxidoreductase, C-terminal deletion protein variant, NADH bound form
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, BICARBONATE ION, CALCIUM ION, ...
Authors:Nishino, T, Okamoto, K, Kawaguchi, Y, Matsumura, T, Eger, B.T, Pai, E.F.
Deposit date:2015-03-17
Release date:2015-04-22
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:The C-terminal peptide plays a role in the formation of an intermediate form during the transition between xanthine dehydrogenase and xanthine oxidase.
Febs J., 282, 2015
4YTZ
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BU of 4ytz by Molmil
Rat xanthine oxidoreductase, C-terminal deletion protein variant, crystal grown without dithiothreitol
Descriptor: BICARBONATE ION, CALCIUM ION, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Nishino, T, Okamoto, K, Kawaguchi, Y, Matsumura, T, Eger, B.T, Pai, E.F, Nishino, T.
Deposit date:2015-03-18
Release date:2015-04-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The C-terminal peptide plays a role in the formation of an intermediate form during the transition between xanthine dehydrogenase and xanthine oxidase
Febs J., 282, 2015
2WAO
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BU of 2wao by Molmil
Structure of a family two carbohydrate esterase from Clostridium thermocellum in complex with cellohexaose
Descriptor: ENDOGLUCANASE E, FORMIC ACID, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Montainer, C, Money, V.A, Pires, V.M.R, Flint, J.E, Pinheiro, B.A, Goyal, A, Prates, J.A.M, Izumi, A, Stalbrand, H, Kolenova, K, Topakas, E, Dodson, E.J, Bolam, D.N, Davies, G.J, Fontes, C.M.G.A, Gilbert, H.J.
Deposit date:2009-02-10
Release date:2009-10-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Active Site of a Carbohydrate Esterase Displays Divergent Catalytic and Noncatalytic Binding Functions.
Plos Biol., 7, 2009
1CBL
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BU of 1cbl by Molmil
THE 1.9 ANGSTROM STRUCTURE OF DEOXY-BETA4 HEMOGLOBIN: ANALYSIS OF THE PARTITIONING OF QUATERNARY-ASSOCIATED AND LIGAND-INDUCED CHANGES IN TERTIARY STRUCTURE
Descriptor: HEMOGLOBIN BETA 4 (DEOXY), PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Borgstahl, G.E.O, Arnone, A.
Deposit date:1993-02-18
Release date:1994-07-31
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The 1.9 A structure of deoxy beta 4 hemoglobin. Analysis of the partitioning of quaternary-associated and ligand-induced changes in tertiary structure.
J.Mol.Biol., 236, 1994
6FWZ
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BU of 6fwz by Molmil
Crystal structure of human UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase (DPAGT1) (V264G mutant) in complex with UDP-GlcNAc
Descriptor: (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE, MAGNESIUM ION, UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, ...
Authors:Pike, A.C.W, Dong, Y.Y, Chu, A, Tessitore, A, Goubin, S, Dong, L, Mukhopadhyay, S, Mahajan, P, Chalk, R, Berridge, G, Wang, D, Kupinska, K, Belaya, K, Beeson, D, Burgess-Brown, N, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2018-03-07
Release date:2018-07-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structures of DPAGT1 Explain Glycosylation Disease Mechanisms and Advance TB Antibiotic Design.
Cell, 175, 2018
6HL2
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BU of 6hl2 by Molmil
wild-type NuoEF from Aquifex aeolicus - oxidized form
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Gerhardt, S, Friedrich, T, Einsle, O, Gnandt, E, Schulte, M, Fiegen, D.
Deposit date:2018-09-10
Release date:2019-06-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I.
Nat Commun, 10, 2019
7TOR
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BU of 7tor by Molmil
Mammalian 80S ribosome bound with the ALS/FTD-associated dipeptide repeat protein GR20
Descriptor: 18S rRNA, 28S rRNA, 40S ribosomal protein S10, ...
Authors:Loveland, A.B, Svidritskiy, E, Susorov, D, Lee, S, Park, A, Zvornicanin, S, Demo, G, Gao, F.B, Korostelev, A.A.
Deposit date:2022-01-24
Release date:2022-05-25
Last modified:2022-06-01
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Ribosome inhibition by C9ORF72-ALS/FTD-associated poly-PR and poly-GR proteins revealed by cryo-EM.
Nat Commun, 13, 2022
8OXW
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BU of 8oxw by Molmil
Transglutaminase 3 in complex with DH patient-derived Fab DH63-B02
Descriptor: 1,2-ETHANEDIOL, Antibody fab fragment heavy chain, Antibody fab fragment light chain, ...
Authors:Heggelund, J.E, Sollid, L.M.
Deposit date:2023-05-02
Release date:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Autoantibody binding and unique enzyme-substrate intermediate conformation of human transglutaminase 3.
Nat Commun, 14, 2023
1OCE
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BU of 1oce by Molmil
ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH MF268
Descriptor: ACETYLCHOLINESTERASE, CIS-2,6-DIMETHYLMORPHOLINOOCTYLCARBAMYLESEROLINE
Authors:Bartolucci, C, Perola, E, Cellai, L, Brufani, M, Lamba, D.
Deposit date:1998-06-12
Release date:1999-05-18
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:"Back door" opening implied by the crystal structure of a carbamoylated acetylcholinesterase.
Biochemistry, 38, 1999
8OXX
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BU of 8oxx by Molmil
Transglutaminase 3 in complex with inhibitor Z-don and DH patient-derived Fab DH63-B02
Descriptor: 1,2-ETHANEDIOL, 5-OXO-L-NORLEUCINE, Antibody fab fragment heavy chain, ...
Authors:Heggelund, J.E, Sollid, L.M.
Deposit date:2023-05-02
Release date:2023-10-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Autoantibody binding and unique enzyme-substrate intermediate conformation of human transglutaminase 3.
Nat Commun, 14, 2023
7R02
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BU of 7r02 by Molmil
Mus musculus acetylcholinesterase in complex with N-(3-(diethylamino)propyl)-4-methyl-3-nitrobenzamide
Descriptor: 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol, ...
Authors:Forsgren, N, Lindgren, C, Edvinsson, L, Linusson, A, Ekstrom, F.
Deposit date:2022-02-01
Release date:2022-04-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Broad-Spectrum Antidote Discovery by Untangling the Reactivation Mechanism of Nerve-Agent-Inhibited Acetylcholinesterase.
Chemistry, 28, 2022

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