2RLW
| Three-Dimensional Structure of the two Peptides that Constitute the Two-Peptide Bacteriocin Plantaracin EF | Descriptor: | PlnF | Authors: | Fimland, N, Rogne, P, Fimland, G, Nissen-Meyer, J, Kristiansen, P. | Deposit date: | 2007-08-27 | Release date: | 2008-07-01 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Three-dimensional structure of the two peptides that constitute the two-peptide bacteriocin plantaricin EF Biochim.Biophys.Acta, 1784, 2008
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4UIB
| Crystal structure of 3p in complex with tafCPB | Descriptor: | (2S)-6-AMINO-2-[[(1R)-1-(CYCLOHEXYLMETHYL)-2-OXO-2-[[(2S)-1,7,7-TRIMETHYLNORBORNAN-2-YL]AMINO]ETHYL]ARBAMOYLAMINO]HEXANOIC ACID, ACETATE ION, CARBOXYPEPTIDASE B, ... | Authors: | Halland, N, Broenstrup, M, Czech, J, Czechtizky, W, Evers, A, Follmann, M, Kohlmann, M, Schiell, M, Kurz, M, Schreuder, H.A, Kallus, C. | Deposit date: | 2015-03-27 | Release date: | 2015-06-03 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Novel Small Molecule Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (Tafia) from Natural Product Anabaenopeptin. J.Med.Chem., 58, 2015
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4UIA
| Crystal structure of 3a in complex with tafCPB | Descriptor: | (2S)-6-azanyl-2-[[(2R)-3-cyclohexyl-1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]carbamoylamino]hexanoic acid, CARBOXYPEPTIDASE B, ZINC ION | Authors: | Halland, N, Broenstrup, M, Czech, J, Czechtizky, W, Evers, A, Follmann, M, Kohlmann, M, Schiell, M, Kurz, M, Schreuder, H.A, Kallus, C. | Deposit date: | 2015-03-27 | Release date: | 2015-06-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Novel Small Molecule Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (Tafia) from Natural Product Anabaenopeptin. J.Med.Chem., 58, 2015
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1MHZ
| METHANE MONOOXYGENASE HYDROXYLASE | Descriptor: | FE (III) ION, METHANE MONOOXYGENASE HYDROXYLASE | Authors: | Elango, N, Radhakrishnan, R, Froland, W.A, Waller, B.J, Earhart, C.A, Lipscomb, J.D, Ohlendorf, D.H. | Deposit date: | 1996-10-21 | Release date: | 1997-05-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of the hydroxylase component of methane monooxygenase from Methylosinus trichosporium OB3b Protein Sci., 6, 1997
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1MHY
| METHANE MONOOXYGENASE HYDROXYLASE | Descriptor: | FE (III) ION, METHANE MONOOXYGENASE HYDROXYLASE | Authors: | Elango, N, Radhakrishnan, R, Froland, W.A, Waller, B.J, Earhart, C.A, Lipscomb, J.D, Ohlendorf, D.H. | Deposit date: | 1996-10-21 | Release date: | 1997-05-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the hydroxylase component of methane monooxygenase from Methylosinus trichosporium OB3b Protein Sci., 6, 1997
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7B0K
| membrane protein structure | Descriptor: | CHOLINE ION, Drug/metabolite transporter (DMT) superfamily permease | Authors: | Baerland, N, Perez, C. | Deposit date: | 2020-11-20 | Release date: | 2022-03-16 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Mechanistic basis of choline import involved in teichoic acids and lipopolysaccharide modification. Sci Adv, 8, 2022
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4FS3
| Crystal structure of Staphylococcus aureus enoyl-ACP reductase in complex with NADP and AFN-1252 | Descriptor: | Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI, N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)propanamide, [[(2R,3S,4R,5R)-5-(3-aminocarbonyl-4H-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate | Authors: | Kaplan, N, Yethon, J, Bardouniotis, E, Thalakada, R, Albert, M, Awrey, D.E, Romanov, V, Dorsey, M, Ramnauth, J, Clarke, T.E, Schmid, M.B, Berman, J, Pauls, H.W. | Deposit date: | 2012-06-26 | Release date: | 2012-09-19 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Mode of Action, In Vitro Activity, and In Vivo Efficacy of AFN-1252, a Selective Antistaphylococcal FabI Inhibitor. Antimicrob.Agents Chemother., 56, 2012
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3QKL
| Spirochromane Akt Inhibitors | Descriptor: | GSK-3 beta peptide, N-{(2S)-3-[(3S)-8',9'-dihydro-1H,3'H-spiro[piperidine-3,7'-pyrano[3,2-e]indazol]-1-yl]-2-hydroxypropyl}-N-(2-ethoxyethyl)-2,6-dimethylbenzenesulfonamide, RAC-alpha serine/threonine-protein kinase | Authors: | Kallan, N.C, Spencer, K.L, Blake, J.F, Xu, R, Heizer, J, Bencsik, J.R, Mitchell, I.S, Gloor, S.L, Martinson, M, Risom, T, Gross, S.D, Morales, T, Vigers, G.P.A, Brandhuber, B.J, Skelton, N.J. | Deposit date: | 2011-02-01 | Release date: | 2011-03-30 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery and SAR of spirochromane Akt inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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3QKK
| Spirochromane Akt Inhibitors | Descriptor: | Glycogen synthase kinase-3 beta, N-(2-ethoxyethyl)-N-{(2S)-2-hydroxy-3-[(2R)-6-hydroxy-4-oxo-3,4-dihydro-1'H-spiro[chromene-2,3'-piperidin]-1'-yl]propyl}-2,6-dimethylbenzenesulfonamide, RAC-alpha serine/threonine-protein kinase | Authors: | Kallan, N.C, Spencer, K.L, Blake, J.F, Xu, R, Heizer, J, Bencsik, J.R, Mitchell, I.S, Gloor, S.L, Martinson, M, Risom, T, Gross, S.D, Morales, T, Vigers, G.P.A, Brandhuber, B.J, Skelton, N.J. | Deposit date: | 2011-02-01 | Release date: | 2011-03-30 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery and SAR of spirochromane Akt inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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2JUI
| Three-Dimensional Structure of the two Peptides that Constitute the Two-Peptide Bacteriocin Plantaracin EF | Descriptor: | PlnE | Authors: | Fimland, N, Rogne, P, Fimland, G, Nissen-Meyer, J, Kristiansen, P. | Deposit date: | 2007-08-27 | Release date: | 2008-07-01 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Three-dimensional structure of the two peptides that constitute the two-peptide bacteriocin plantaricin EF Biochim.Biophys.Acta, 1784, 2008
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3O8G
| EthR from Mycobacterium tuberculosis in complex with compound BDM14801 | Descriptor: | 1-(azidoacetyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine, TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN (TETR-FAMILY) ETHR | Authors: | Willand, N, Desroses, M, Toto, P, Diri, B, Lens, Z, Villeret, V, Rucktooa, P, Locht, C, Baulard, A, Deprez, B. | Deposit date: | 2010-08-03 | Release date: | 2010-09-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Exploring drug target flexibility using in situ click chemistry: application to a mycobacterial transcriptional regulator. Acs Chem.Biol., 5, 2010
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3O8H
| EthR from Mycobacterium tuberculosis in complex with compound BDM14950 | Descriptor: | 4-iodo-N-[(1-{2-oxo-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl}-1H-1,2,3-triazol-4-yl)methyl]benzenesulfonamide, Transcriptional Regulatory Repressor protein (TETR-Family) EthR | Authors: | Willand, N, Desroses, M, Toto, P, Diri, B, Lens, Z, Villeret, V, Rucktooa, P, Locht, C, Baulard, A, Deprez, B. | Deposit date: | 2010-08-03 | Release date: | 2010-09-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Exploring drug target flexibility using in situ click chemistry: application to a mycobacterial transcriptional regulator. Acs Chem.Biol., 5, 2010
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3PCG
| STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE COMPLEXED WITH THE INHIBITOR 4-HYDROXYPHENYLACETATE | Descriptor: | 4-HYDROXYPHENYLACETATE, BETA-MERCAPTOETHANOL, FE (III) ION, ... | Authors: | Elango, N, Orville, A.M, Lipscomb, J.D, Ohlendorf, D.H. | Deposit date: | 1997-04-29 | Release date: | 1998-04-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structures of competitive inhibitor complexes of protocatechuate 3,4-dioxygenase: multiple exogenous ligand binding orientations within the active site. Biochemistry, 36, 1997
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3PCE
| STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE COMPLEXED WITH 3-HYDROXYPHENYLACETATE | Descriptor: | 3-HYDROXYPHENYLACETATE, BETA-MERCAPTOETHANOL, FE (III) ION, ... | Authors: | Elango, N, Orville, A.M, Lipscomb, J.D, Ohlendorf, D.H. | Deposit date: | 1997-04-29 | Release date: | 1998-04-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Structures of competitive inhibitor complexes of protocatechuate 3,4-dioxygenase: multiple exogenous ligand binding orientations within the active site. Biochemistry, 36, 1997
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3PCC
| STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE COMPLEXED WITH 4-HYDROXYBENZOATE | Descriptor: | BETA-MERCAPTOETHANOL, FE (III) ION, P-HYDROXYBENZOIC ACID, ... | Authors: | Elango, N, Orville, A.M, Lipscomb, J.D, Ohlendorf, D.H. | Deposit date: | 1997-04-29 | Release date: | 1998-04-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structures of competitive inhibitor complexes of protocatechuate 3,4-dioxygenase: multiple exogenous ligand binding orientations within the active site. Biochemistry, 36, 1997
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3PCB
| STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE COMPLEXED WITH 3-HYDROXYBENZOATE | Descriptor: | 3-HYDROXYBENZOIC ACID, BETA-MERCAPTOETHANOL, FE (III) ION, ... | Authors: | Elango, N, Orville, A.M, Lipscomb, J.D, Ohlendorf, D.H. | Deposit date: | 1997-04-25 | Release date: | 1998-04-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Structures of competitive inhibitor complexes of protocatechuate 3,4-dioxygenase: multiple exogenous ligand binding orientations within the active site. Biochemistry, 36, 1997
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3LDA
| Yeast Rad51 H352Y Filament Interface Mutant | Descriptor: | CHLORIDE ION, DNA repair protein RAD51 | Authors: | Villanueva, N.L, Chen, J, Morrical, S.W, Rould, M.A. | Deposit date: | 2010-01-12 | Release date: | 2010-04-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Insights into the mechanism of Rad51 recombinase from the structure and properties of a filament interface mutant. Nucleic Acids Res., 38, 2010
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3G1M
| EthR from Mycobacterium tuberculosis in complex with compound BDM31381 | Descriptor: | 1-(thiophen-2-ylacetyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine, TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN (TETR-FAMILY) ETHR | Authors: | Willand, N, Dirie, B, Carette, X, Bifani, P, Singhal, A, Desroses, M, Leroux, F, Willery, E, Mathys, V, Deprez-Poulain, R, Delcroix, G, Frenois, F, Aumercier, M, Locht, C, Villeret, V, Deprez, B, Baulard, A.R. | Deposit date: | 2009-01-30 | Release date: | 2009-07-21 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Synthetic EthR inhibitors boost antituberculous activity of ethionamide. Nat.Med. (N.Y.), 15, 2009
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2F0A
| Crystal Structure of Monomeric Uncomplexed form of Xenopus dishevelled PDZ domain | Descriptor: | COBALT (II) ION, SULFATE ION, Segment polarity protein dishevelled homolog DVL-2 | Authors: | Friedland, N, Hung, L.-W, Cheyette, B, Moon, R.T, Earnest, T.N. | Deposit date: | 2005-11-12 | Release date: | 2005-11-22 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Conformational flexibility in the PDZ domain of Dishevelled induced by target binding TO BE PUBLISHED
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3G1O
| EthR from Mycobacterium tuberculosis in complex with compound BDM14500 | Descriptor: | TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN (TETR-FAMILY) ETHR, tert-butyl 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate | Authors: | Willand, N, Dirie, B, Carette, X, Bifani, P, Singhal, A, Desroses, M, Leroux, F, Willery, E, Mathys, V, Deprez-Poulain, R, Delcroix, G, Frenois, F, Aumercier, M, Locht, C, Villeret, V, Deprez, B, Baulard, A.R. | Deposit date: | 2009-01-30 | Release date: | 2009-07-21 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Synthetic EthR inhibitors boost antituberculous activity of ethionamide. NAT.MED. (N.Y.), 15, 2009
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3G1L
| EthR from Mycobacterium tuberculosis in complex with compound BDM14744 | Descriptor: | 3-(4-fluorophenyl)-5-phenyl-4H-1,2,4-triazole, TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN (TETR-FAMILY) ETHR | Authors: | Willand, N, Dirie, B, Carette, X, Bifani, P, Singhal, A, Desroses, M, Leroux, F, Willery, E, Mathys, V, Deprez-Poulain, R, Delcroix, G, Frenois, F, Aumercier, M, Locht, C, Villeret, V, Deprez, B, Baulard, A.R. | Deposit date: | 2009-01-30 | Release date: | 2009-07-21 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Synthetic EthR inhibitors boost antituberculous activity of ethionamide. Nat.Med. (N.Y.), 15, 2009
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1NEP
| Crystal Structure Analysis of the Bovine NPC2 (Niemann-Pick C2) Protein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Epididymal secretory protein E1, PHOSPHATE ION | Authors: | Friedland, N, Liou, H.-L, Lobel, P, Stock, A.M. | Deposit date: | 2002-12-11 | Release date: | 2003-01-28 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of a Cholesterol-binding Protein Deficient in Niemann-Pick Type C2 Disease Proc.Natl.Acad.Sci.USA, 100, 2003
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2GWR
| Crystal structure of the response regulator protein mtrA from Mycobacterium Tuberculosis | Descriptor: | CALCIUM ION, DNA-binding response regulator mtrA, GLYCEROL | Authors: | Friedland, N, Mack, T.R, Yu, M, Bursey, E.H, Hung, L.W, Stock, A.M, Waldo, G.S, Terwilliger, T.C. | Deposit date: | 2006-05-05 | Release date: | 2006-05-23 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Domain orientation in the inactive response regulator Mycobacterium tuberculosis MtrA provides a barrier to activation. Biochemistry, 46, 2007
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2HKX
| Structure of CooA mutant (N127L/S128L) from Carboxydothermus hydrogenoformans | Descriptor: | CARBON MONOXIDE, Carbon monoxide oxidation system transcription regulator CooA-1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Lanz, N.D, Borjigin, M, Li, H, Kerby, R.L, Poulos, T.L, Roberts, G.P. | Deposit date: | 2006-07-05 | Release date: | 2007-03-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-based hypothesis on the activation of the CO-sensing transcription factor CooA. Acta Crystallogr.,Sect.D, 63, 2007
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4LGW
| Crystal structure of Escherichia coli SdiA in the space group P6522 | Descriptor: | GLYCEROL, Regulatory protein SdiA | Authors: | Kim, T, Duong, T, Wu, C.A, Choi, J, Lan, N, Kang, S.W, Lokanath, N.K, Shin, D, Hwang, H.Y, Kim, K.K. | Deposit date: | 2013-06-28 | Release date: | 2014-03-19 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural insights into the molecular mechanism of Escherichia coli SdiA, a quorum-sensing receptor Acta Crystallogr.,Sect.D, 70, 2014
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