3X21
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3x21 by Molmil](/molmil-images/mine/3x21) | Crystal structure of Escherichia coli nitroreductase NfsB mutant T41L/N71S/F124W | Descriptor: | FLAVIN MONONUCLEOTIDE, Oxygen-insensitive NAD(P)H nitroreductase | Authors: | Bai, J, Yang, J, Zhou, Y, Yang, Q. | Deposit date: | 2014-12-06 | Release date: | 2015-05-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.002 Å) | Cite: | Altering the regioselectivity of a nitroreductase in the synthesis of arylhydroxylamines by structure-based engineering. Chembiochem, 16, 2015
|
|
3X22
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3x22 by Molmil](/molmil-images/mine/3x22) | Crystal structure of Escherichia coli nitroreductase NfsB mutant N71S/F123A/F124W | Descriptor: | FLAVIN MONONUCLEOTIDE, Oxygen-insensitive NAD(P)H nitroreductase | Authors: | Bai, J, Yang, J, Zhou, Y, Yang, Q. | Deposit date: | 2014-12-06 | Release date: | 2015-11-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Structural basis of Escherichia coli nitroreductase NfsB triple mutants engineered for improved activity and regioselectivity toward the prodrug CB1954 PROCESS BIOCHEM, 50, 2015
|
|
2Y51
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2y51 by Molmil](/molmil-images/mine/2y51) | Crystal structure of E167A mutant of the box pathway encoded ALDH from Burkholderia xenovorans LB400 | Descriptor: | ALDEHYDE DEHYDROGENASE (BOX PATHWAY), GLYCEROL | Authors: | Bains, J, Leon, R, Temke, K.G, Boulanger, M.J. | Deposit date: | 2011-01-11 | Release date: | 2011-06-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Elucidating the Reaction Mechanism of the Benzoate Oxidation Pathway Encoded Aldehyde Dehydrogenase from Burkholderia Xenovorans Lb400. Protein Sci., 20, 2011
|
|
2XUA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xua by Molmil](/molmil-images/mine/2xua) | Crystal structure of the enol-lactonase from Burkholderia xenovorans LB400 | Descriptor: | 3-OXOADIPATE ENOL-LACTONASE, LAEVULINIC ACID | Authors: | Bains, J, Kaufman, L, Farnell, B, Boulanger, M.J. | Deposit date: | 2010-10-17 | Release date: | 2011-01-26 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A Product Analog Bound Form of 3-Oxoadipate-Enol- Lactonase (Pcad) Reveals a Multifunctional Role for the Divergent CAP Domain. J.Mol.Biol., 406, 2011
|
|
2Y53
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2y53 by Molmil](/molmil-images/mine/2y53) | Crystal structure of E257Q mutant of the box pathway encoded ALDH from Burkholderia xenovorans LB400 | Descriptor: | ALDEHYDE DEHYDROGENASE (BOX PATHWAY), GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Bains, J, Leon, R, Temke, K.G, Boulanger, M.J. | Deposit date: | 2011-01-11 | Release date: | 2011-06-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Elucidating the Reaction Mechanism of the Benzoate Oxidation Pathway Encoded Aldehyde Dehydrogenase from Burkholderia Xenovorans Lb400. Protein Sci., 20, 2011
|
|
2Y5D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2y5d by Molmil](/molmil-images/mine/2y5d) | Crystal structure of C296A mutant of the box pathway encoded ALDH from Burkholderia xenovorans LB400 | Descriptor: | ALDEHYDE DEHYDROGENASE (BOX PATHWAY), GLYCEROL, HEXAETHYLENE GLYCOL, ... | Authors: | Bains, J, Leon, R, Temke, K.G, Boulanger, M.J. | Deposit date: | 2011-01-12 | Release date: | 2011-06-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Elucidating the Reaction Mechanism of the Benzoate Oxidation Pathway Encoded Aldehyde Dehydrogenase from Burkholderia Xenovorans Lb400. Protein Sci., 20, 2011
|
|
2Y52
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2y52 by Molmil](/molmil-images/mine/2y52) | Crystal structure of E496A mutant of the box pathway encoded ALDH from Burkholderia xenovorans LB400 | Descriptor: | ALDEHYDE DEHYDROGENASE (BOX PATHWAY), GLYCEROL | Authors: | Bains, J, Leon, R, Temke, K.G, Boulanger, M.J. | Deposit date: | 2011-01-11 | Release date: | 2011-06-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Elucidating the Reaction Mechanism of the Benzoate Oxidation Pathway Encoded Aldehyde Dehydrogenase from Burkholderia Xenovorans Lb400. Protein Sci., 20, 2011
|
|
4ATY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4aty by Molmil](/molmil-images/mine/4aty) | |
2W3P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2w3p by Molmil](/molmil-images/mine/2w3p) | BoxC crystal structure | Descriptor: | BENZOYL-COA-DIHYDRODIOL LYASE, BETA-MERCAPTOETHANOL, GLYCEROL | Authors: | Bains, J, Boulanger, M.J. | Deposit date: | 2008-11-13 | Release date: | 2009-04-14 | Last modified: | 2017-07-05 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural and Biophysical Characterization of Boxc from Burkholderia Xenovorans Lb400: A Novel Ring-Cleaving Enzyme in the Crotonase Superfamily. J.Biol.Chem., 284, 2009
|
|
2VRO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2vro by Molmil](/molmil-images/mine/2vro) | Crystal structure of aldehyde dehydrogenase from Burkholderia xenovorans LB400 | Descriptor: | 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ALDEHYDE DEHYDROGENASE, HEXAETHYLENE GLYCOL, ... | Authors: | Bains, J, Boulanger, M.J. | Deposit date: | 2008-04-09 | Release date: | 2008-04-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural and Biochemical Characterization of a Novel Aldehyde Dehydrogenase Encoded by the Benzoate Oxidation (Box) Pathway in Burkholderia Xenovorans Lb400 J.Mol.Biol., 379, 2008
|
|
6FWB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fwb by Molmil](/molmil-images/mine/6fwb) | Crystal structure of Mat2A at 1.79 Angstron resolution | Descriptor: | GLYCEROL, S-adenosylmethionine synthase isoform type-2, SODIUM ION, ... | Authors: | Zhou, A, Wei, Z, Bai, J, Wang, H. | Deposit date: | 2018-03-06 | Release date: | 2019-03-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Identification of a natural inhibitor of methionine adenosyltransferase 2A regulating one-carbon metabolism in keratinocytes. Ebiomedicine, 39, 2019
|
|
2V7B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2v7b by Molmil](/molmil-images/mine/2v7b) | |
1UU8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1uu8 by Molmil](/molmil-images/mine/1uu8) | Structure of human PDK1 kinase domain in complex with BIM-1 | Descriptor: | 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, GLYCEROL, ... | Authors: | Komander, D, Kular, G.S, Schuttelkopf, A.W, Deak, M, Prakash, K.R, Bain, J, Elliot, M, Garrido-Franco, M, Kozikowski, A.P, Alessi, D.R, Van Aalten, D.M.F. | Deposit date: | 2003-12-16 | Release date: | 2004-03-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Interactions of Ly333531 and Other Bisindolyl Maleimide Inhibitors with Pdk1 Structure, 12, 2004
|
|
7M7C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7m7c by Molmil](/molmil-images/mine/7m7c) | Crystal Structure of Hip1 (Rv2224c) mutant - T466A/S228DHA (dehydroalanine) | Descriptor: | Carboxylesterase A | Authors: | Naffin-Olivos, J.L, Daab, A, Goldfarb, N.E, Doran, M.H, Baikovitz, J, Liu, D, Sun, S, White, A, Dunn, B.M, Rengarajan, J, Petsko, G.A, Ringe, D. | Deposit date: | 2021-03-27 | Release date: | 2022-03-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Inhibitors and Inactivators of Mycobacterium tuberculosis serine protease Hip1 (Rv2224c) To Be Published
|
|
5BKM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5bkm by Molmil](/molmil-images/mine/5bkm) | Crystal Structure of Hip1 (Rv2224c) mutant - S228DHA (dehydroalanine) | Descriptor: | Carboxylesterase A | Authors: | Naffin-Olivos, J.L, Daab, A, Goldfarb, N.E, Doran, M.H, Baikovitz, J, Liu, D, Sun, S, White, A, Dunn, B.M, Rengarajan, J, Petsko, G.A, Ringe, D. | Deposit date: | 2021-03-20 | Release date: | 2022-03-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.703 Å) | Cite: | Crystal Structure of Hip1 (Rv2224c) mutant - S228DHA (dehydroalanine) To Be Published
|
|
4WV7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wv7 by Molmil](/molmil-images/mine/4wv7) | HEAT SHOCK PROTEIN 70 SUBSTRATE BINDING DOMAIN WITH COVALENTLY LINKED NOVOLACTONE | Descriptor: | (5beta,6alpha,8alpha,14alpha)-13-ethenyl-5,6-dihydroxy-14-methylpodocarp-12-en-15-oic acid, Heat shock 70 kDa protein 1A/1B | Authors: | Kirby, C.A, Baird, J, Stams, T. | Deposit date: | 2014-11-04 | Release date: | 2015-01-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | The novolactone natural product disrupts the allosteric regulation of hsp70. Chem.Biol., 22, 2015
|
|
4WV5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wv5 by Molmil](/molmil-images/mine/4wv5) | |
6B0F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6b0f by Molmil](/molmil-images/mine/6b0f) | |
1SMK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1smk by Molmil](/molmil-images/mine/1smk) | Mature and translocatable forms of glyoxysomal malate dehydrogenase have different activities and stabilities but similar crystal structures | Descriptor: | CITRIC ACID, Malate dehydrogenase, glyoxysomal | Authors: | Cox, B, Chit, M.M, Weaver, T, Bailey, J, Gietl, C, Bell, E, Banaszak, L. | Deposit date: | 2004-03-09 | Release date: | 2005-01-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Organelle and translocatable forms of glyoxysomal malate dehydrogenase. The effect of the N-terminal presequence. Febs J., 272, 2005
|
|
1SEV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1sev by Molmil](/molmil-images/mine/1sev) | Mature and translocatable forms of glyoxysomal malate dehydrogenase have different activities and stabilities but similar crystal structures | Descriptor: | Malate dehydrogenase, glyoxysomal precursor | Authors: | Cox, B.R, Chit, M.M, Weaver, T.M, Bailey, J, Gietl, C, Bell, E, Banaszak, L.J. | Deposit date: | 2004-02-18 | Release date: | 2005-01-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Organelle and translocatable forms of glyoxysomal malate dehydrogenase. The effect of the N-terminal presequence Febs J., 272, 2005
|
|
3JPV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3jpv by Molmil](/molmil-images/mine/3jpv) | Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and a pyrrolo[2,3-a]carbazole ligand | Descriptor: | 1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde, Peptide (PIMTIDE) ARKRRRHPSGPPTA, Proto-oncogene serine/threonine-protein kinase Pim-1 | Authors: | Filippakopoulos, P, Bullock, A.N, Fedorov, O, Akue-Gedu, R, Rossignol, E, Azzaro, S, Bain, J, Cohen, P, Prudhomme, M, Moreau, P, Amizon, F, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-09-04 | Release date: | 2009-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Synthesis, kinase inhibitory potencies, and in vitro antiproliferative evaluation of new pim kinase inhibitors. J.Med.Chem., 52, 2009
|
|
5N6L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5n6l by Molmil](/molmil-images/mine/5n6l) | Structure of the membrane integral lipoprotein N-acyltransferase Lnt C387A mutant from E. coli | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Apolipoprotein N-acyltransferase, GLYCEROL | Authors: | Huang, C.-Y, Boland, C, Howe, N, Wiktor, M, Vogeley, L, Weichert, D, Bailey, J, Olieric, V, Wang, M, Caffrey, M. | Deposit date: | 2017-02-15 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural insights into the mechanism of the membrane integral N-acyltransferase step in bacterial lipoprotein synthesis. Nat Commun, 8, 2017
|
|
5N6H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5n6h by Molmil](/molmil-images/mine/5n6h) | Structure of the membrane integral lipoprotein N-acyltransferase Lnt from E. coli | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Apolipoprotein N-acyltransferase, GLYCEROL | Authors: | Huang, C.-Y, Boland, C, Howe, N, Wiktor, M, Vogeley, L, Weichert, D, Bailey, J, Olieric, V, Wang, M, Caffrey, M. | Deposit date: | 2017-02-15 | Release date: | 2017-07-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural insights into the mechanism of the membrane integral N-acyltransferase step in bacterial lipoprotein synthesis. Nat Commun, 8, 2017
|
|
5N6M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5n6m by Molmil](/molmil-images/mine/5n6m) | Structure of the membrane integral lipoprotein N-acyltransferase Lnt from P. aeruginosa | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Apolipoprotein N-acyltransferase, CITRATE ANION, ... | Authors: | Huang, C.-Y, Boland, C, Howe, N, Wiktor, M, Vogeley, L, Weichert, D, Bailey, J, Olieric, V, Wang, M, Caffrey, M. | Deposit date: | 2017-02-15 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural insights into the mechanism of the membrane integral N-acyltransferase step in bacterial lipoprotein synthesis. Nat Commun, 8, 2017
|
|
5T92
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5t92 by Molmil](/molmil-images/mine/5t92) | ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH (2E)-3-{4-[(1R)-2-(4-fluorophenyl)-6-hydroxy-1-methy l-1,2,3,4- tetrahydroisoquinolin-1-yl]phenyl}prop-2-enoic acid | Descriptor: | (2E)-3-{4-[(1R)-2-(4-fluorophenyl)-6-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]phenyl}prop-2-enoic acid, Estrogen receptor | Authors: | Kirby, C, Baird, J. | Deposit date: | 2016-09-09 | Release date: | 2017-03-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Discovery of an Acrylic Acid Based Tetrahydroisoquinoline as an Orally Bioavailable Selective Estrogen Receptor Degrader for ER alpha + Breast Cancer. J. Med. Chem., 60, 2017
|
|