3R5P
 
 | | Structure of Ddn, the Deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824 | | Descriptor: | Deazaflavin-dependent nitroreductase, SULFATE ION | | Authors: | Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayya, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H. | | Deposit date: | 2011-03-19 | | Release date: | 2012-01-18 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824.
Structure, 20, 2012
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3R5Y
 | | Structure of a Deazaflavin-dependent nitroreductase from Nocardia farcinica, with co-factor F420 | | Descriptor: | COENZYME F420, Putative uncharacterized protein | | Authors: | Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayya, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H. | | Deposit date: | 2011-03-20 | | Release date: | 2012-01-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824.
Structure, 20, 2012
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3R5W
 | | Structure of Ddn, the Deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824, with co-factor F420 | | Descriptor: | COENZYME F420, Deazaflavin-dependent nitroreductase | | Authors: | Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayya, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H. | | Deposit date: | 2011-03-20 | | Release date: | 2012-01-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.786 Å) | | Cite: | Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824.
Structure, 20, 2012
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3R5Z
 | | Structure of a Deazaflavin-dependent reductase from Nocardia farcinica, with co-factor F420 | | Descriptor: | COENZYME F420, Putative uncharacterized protein, SULFATE ION | | Authors: | Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayya, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H. | | Deposit date: | 2011-03-20 | | Release date: | 2012-01-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.503 Å) | | Cite: | Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824.
Structure, 20, 2012
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4NAL
 | | Arabidopsis thaliana IspD in complex with tribromodichloro-pseudilin | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2,4-DICHLORO-6-(3,4,5-TRIBROMO-1H-PYRROL-2-YL)PHENOL, 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, ... | | Authors: | Kunfermann, A, Witschel, M, Illarionov, B, Martin, R, Rottmann, M, Hoffken, H.W, Seet, M, Eisenreich, W, Knolker, H.-J, Fischer, M, Bacher, A, Groll, M, Diederich, F. | | Deposit date: | 2013-10-22 | | Release date: | 2014-01-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Pseudilins: Halogenated, Allosteric Inhibitors of the Non-Mevalonate Pathway Enzyme IspD.
Angew.Chem.Int.Ed.Engl., 53, 2014
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4NAI
 | | Arabidopsis thaliana IspD apo | | Descriptor: | 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, CADMIUM ION, ... | | Authors: | Kunfermann, A, Witschel, M, Illarionov, B, Martin, R, Rottmann, M, Hoffken, H.W, Seet, M, Eisenreich, W, Knolker, H.-J, Fischer, M, Bacher, A, Groll, M, Diederich, F. | | Deposit date: | 2013-10-22 | | Release date: | 2014-01-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Pseudilins: Halogenated, Allosteric Inhibitors of the Non-Mevalonate Pathway Enzyme IspD.
Angew.Chem.Int.Ed.Engl., 53, 2014
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4NAK
 | | Arabidopsis thaliana IspD in complex with pentabromo-pseudilin | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, ... | | Authors: | Kunfermann, A, Witschel, M, Illarionov, B, Martin, R, Rottmann, M, Hoffken, H.W, Seet, M, Eisenreich, W, Knolker, H.-J, Fischer, M, Bacher, A, Groll, M, Diederich, F. | | Deposit date: | 2013-10-22 | | Release date: | 2014-01-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Pseudilins: Halogenated, Allosteric Inhibitors of the Non-Mevalonate Pathway Enzyme IspD.
Angew.Chem.Int.Ed.Engl., 53, 2014
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4NAN
 | | Arabidopsis thaliana IspD in complex with tetrabromo-pseudilin | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, ... | | Authors: | Kunfermann, A, Witschel, M, Illarionov, B, Martin, R, Rottmann, M, Hoffken, H.W, Seet, M, Eisenreich, W, Knolker, H.-J, Fischer, M, Bacher, A, Groll, M, Diederich, F. | | Deposit date: | 2013-10-22 | | Release date: | 2014-01-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Pseudilins: Halogenated, Allosteric Inhibitors of the Non-Mevalonate Pathway Enzyme IspD.
Angew.Chem.Int.Ed.Engl., 53, 2014
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6S7W
 | | Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator N-(5-(Azepan-1-ylsulfonyl)-2-methoxyphenyl)-2-(quinolin-4-yl)acetamide | | Descriptor: | FORMIC ACID, Fumarate hydratase class II, MAGNESIUM ION, ... | | Authors: | Whitehouse, A.J, Libardo, M.D, Kasbekar, M, Brear, P, Fischer, G, Thomas, C.J, Barry, C.E, Boshoff, H.I, Coyne, A.G, Abell, C. | | Deposit date: | 2019-07-07 | | Release date: | 2019-09-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Targeting of Fumarate Hydratase fromMycobacterium tuberculosisUsing Allosteric Inhibitors with a Dimeric-Binding Mode.
J.Med.Chem., 62, 2019
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6S9A
 | | Artificial GTPase-BSE dimer of human Dynamin1 | | Descriptor: | CHLORIDE ION, Dynamin-1,Dynamin-1, ZINC ION | | Authors: | Ganichkin, O.M, Vancraenenbroeck, R, Rosenblum, G, Hofmann, H, Daumke, O, Noel, J.K. | | Deposit date: | 2019-07-11 | | Release date: | 2020-08-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Quantification and demonstration of the collective constriction-by-ratchet mechanism in the dynamin molecular motor.
Proc.Natl.Acad.Sci.USA, 118, 2021
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4AKA
 | | IPSE alpha-1, an IgE-binding crystallin | | Descriptor: | IL-4-INDUCING PROTEIN | | Authors: | Meyer, N.H, Mayerhofer, H, Tripsianes, K, Barths, D, Blindow, S, Bade, S, Madl, T, Frey, A, Haas, H, Mueller-Dieckmann, J, Sattler, M, Scharmm, G. | | Deposit date: | 2012-02-22 | | Release date: | 2013-03-13 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | A Crystallin Fold in the Interleukin-4-Inducing Principle of Schistosoma Mansoni Eggs (Ipse/Alpha-1) Mediates Ige Binding for Antigen-Independent Basophil Activation
J.Biol.Chem., 290, 2015
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2AQ7
 | | Structure-activity relationships at the 5-posiiton of thiolactomycin: an intact 5(R)-isoprene unit is required for activity against the condensing enzymes from Mycobacterium tuberculosis and Escherichia coli | | Descriptor: | (5R)-4-HYDROXY-3,5-DIMETHYL-5-[(1E,3E)-2-METHYLPENTA-1,3-DIENYL]THIOPHEN-2(5H)-ONE, 3-oxoacyl-[acyl-carrier-protein] synthase I | | Authors: | Kim, P, Zhang, Y.M, Shenoy, G, Nguyen, Q.A, Boshoff, H.I, Manjunatha, U.H, Goodwin, M.B, Lonsdale, J, Price, A.C, Miller, D.J. | | Deposit date: | 2005-08-17 | | Release date: | 2006-01-17 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-Activity Relationships at the 5-Position of Thiolactomycin: An Intact (5R)-Isoprene Unit Is Required for Activity against the Condensing Enzymes from Mycobacterium tuberculosis and Escherichia coli
J.Med.Chem., 49, 2006
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2AQB
 | | Structure-activity relationships at the 5-position of thiolactomycin: an intact 5(R)-isoprene unit is required for activity against the condensing enzymes from Mycobacterium tuberculosis and Escherchia coli | | Descriptor: | (5R)-5-[(1E)-BUTA-1,3-DIENYL]-4-HYDROXY-3,5-DIMETHYLTHIOPHEN-2(5H)-ONE, 3-oxoacyl-[acyl-carrier-protein] synthase I | | Authors: | Kim, P, Zhang, Y.M, Shenoy, G, Nguyen, Q.A, Boshoff, H.I, Manjunatha, U.H, Goodwin, M.B, Lonsdale, J, Price, A.C, Miller, D.J. | | Deposit date: | 2005-08-17 | | Release date: | 2006-01-17 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Structure-Activity Relationships at the 5-Position of Thiolactomycin: An Intact (5R)-Isoprene Unit Is Required for Activity against the Condensing Enzymes from Mycobacterium tuberculosis and Escherichia coli
J.Med.Chem., 49, 2006
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1DCE
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2B0H
 | | Solution structure of VBS3 fragment of talin | | Descriptor: | Talin-1 | | Authors: | Gingras, A.R, Vogel, K.P, Steinhoff, H.J, Ziegler, W.H, Patel, B, Emsley, J, Critchley, D.R, Roberts, G.C, Barsukov, I.L. | | Deposit date: | 2005-09-14 | | Release date: | 2006-01-17 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structural and Dynamic Characterization of a Vinculin Binding Site in the Talin Rod
Biochemistry, 45, 2006
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2GNK
 | | GLNK, A SIGNAL PROTEIN FROM E. COLI | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, PROTEIN (NITROGEN REGULATORY PROTEIN) | | Authors: | Xu, Y, Cheah, E, Carr, P.D, van Heeswijk, W.C, Westerhoff, H.V, Vasudevan, S.G, Ollis, D.L. | | Deposit date: | 1998-07-14 | | Release date: | 1999-07-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | GlnK, a PII-homologue: structure reveals ATP binding site and indicates how the T-loops may be involved in molecular recognition.
J.Mol.Biol., 282, 1998
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5CQG
 | | Structure of Tribolium telomerase in complex with the highly specific inhibitor BIBR1532 | | Descriptor: | 2-{[(2E)-3-(naphthalen-2-yl)but-2-enoyl]amino}benzoic acid, Telomerase reverse transcriptase | | Authors: | Bryan, C, Rice, C, Hoffman, H, Harkisheimer, M, Sweeney, M, Skordalakes, E. | | Deposit date: | 2015-07-21 | | Release date: | 2015-09-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Basis of Telomerase Inhibition by the Highly Specific BIBR1532.
Structure, 23, 2015
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1GNK
 | | GLNK, A SIGNAL PROTEIN FROM E. COLI | | Descriptor: | PROTEIN (GLNK), SULFATE ION | | Authors: | Xu, Y, Cheah, E, Carr, P.D, Vanheeswijk, W.C, Westerhoff, H.V, Vasudevan, S.G, Ollis, D.L. | | Deposit date: | 1998-07-14 | | Release date: | 1999-07-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | GlnK, a PII-homologue: structure reveals ATP binding site and indicates how the T-loops may be involved in molecular recognition.
J.Mol.Biol., 282, 1998
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