5HAW
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2XJ2
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![BU of 2xj2 by Molmil](/molmil-images/mine/2xj2) | Protein kinase Pim-1 in complex with small molecule inhibitor | Descriptor: | (2E)-3-{3-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]phenyl}prop-2-enoic acid, PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1 | Authors: | Schulz, M.N, Fanghanel, J, Schafer, M, Badock, V, Briem, H, Boemer, U, Nguyen, D, Husemann, M, Hillig, R.C. | Deposit date: | 2010-07-01 | Release date: | 2011-02-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors Acta Crystallogr.,Sect.D, 67, 2011
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2XJ0
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![BU of 2xj0 by Molmil](/molmil-images/mine/2xj0) | Protein kinase Pim-1 in complex with fragment-4 from crystallographic fragment screen | Descriptor: | (E)-3-(2-AMINO-PYRIDINE-5YL)-ACRYLIC ACID, PROTO-ONCOGENE SERINE/THREONINE PROTEIN KINASE PIM-1 | Authors: | Schulz, M.N, Fanghanel, J, Schafer, M, Badock, V, Briem, H, Boemer, U, Nguyen, D, Husemann, M, Hillig, R.C. | Deposit date: | 2010-07-01 | Release date: | 2011-02-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors Acta Crystallogr.,Sect.D, 67, 2011
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2XJ1
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![BU of 2xj1 by Molmil](/molmil-images/mine/2xj1) | Protein kinase Pim-1 in complex with small molecule inibitor | Descriptor: | (2E)-3-(3-{6-[(TRANS-4-AMINOCYCLOHEXYL)AMINO]PYRAZIN-2-YL}PHENYL)PROP-2-ENOIC ACID, PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1 | Authors: | Schulz, M.N, Fanghanel, J, Schafer, M, Badock, V, Briem, H, Boemer, U, Nguyen, D, Husemann, M, Hillig, R.C. | Deposit date: | 2010-07-01 | Release date: | 2011-02-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors Acta Crystallogr.,Sect.D, 67, 2011
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2XIZ
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![BU of 2xiz by Molmil](/molmil-images/mine/2xiz) | Protein kinase Pim-1 in complex with fragment-3 from crystallographic fragment screen | Descriptor: | (E)-PYRIDIN-4-YL-ACRYLIC ACID, PROTO-ONCOGENE SERINE/THREONINE PROTEIN KINASE PIM-1 | Authors: | Schulz, M.N, Fanghanel, J, Schafer, M, Badock, V, Briem, H, Boemer, U, Nguyen, D, Husemann, M, Hillig, R.C. | Deposit date: | 2010-07-01 | Release date: | 2011-02-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors Acta Crystallogr.,Sect.D, 67, 2011
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2XIX
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![BU of 2xix by Molmil](/molmil-images/mine/2xix) | Protein kinase Pim-1 in complex with fragment-1 from crystallographic fragment screen | Descriptor: | 3,5-DIAMINO-1H-[1,2,4]TRIAZOLE, PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1 | Authors: | Schulz, M.N, Fanghanel, J, Schafer, M, Badock, V, Briem, H, Boemer, U, Nguyen, D, Husemann, M, Hillig, R.C. | Deposit date: | 2010-07-01 | Release date: | 2011-02-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors Acta Crystallogr.,Sect.D, 67, 2011
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1QX5
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![BU of 1qx5 by Molmil](/molmil-images/mine/1qx5) | |
1SDL
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![BU of 1sdl by Molmil](/molmil-images/mine/1sdl) | CROSS-LINKED, CARBONMONOXY HEMOGLOBIN A | Descriptor: | 1,3,5-BENZENETRICARBOXYLIC ACID, CARBON MONOXIDE, HEMOGLOBIN A, ... | Authors: | Schumacher, M.A, Dixon, M.M, Kluger, R, Jones, R.T, Brennan, R.G. | Deposit date: | 1996-02-26 | Release date: | 1996-08-01 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Allosteric transition intermediates modelled by crosslinked haemoglobins. Nature, 375, 1995
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2LIE
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![BU of 2lie by Molmil](/molmil-images/mine/2lie) | NMR structure of the lectin CCL2 | Descriptor: | CCL2 lectin | Authors: | Schubert, M, Walti, M.A, Egloff, P, Bleuler-Martinez, S, Aebi, M, Allain, F.F.-H, Kunzler, M. | Deposit date: | 2011-08-29 | Release date: | 2012-06-06 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Plasticity of the beta-Trefoil Protein Fold in the Recognition and Control of Invertebrate Predators and Parasites by a Fungal Defence System Plos Pathog., 8, 2012
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4MCT
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![BU of 4mct by Molmil](/molmil-images/mine/4mct) | |
2MK1
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![BU of 2mk1 by Molmil](/molmil-images/mine/2mk1) | |
1BIW
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![BU of 1biw by Molmil](/molmil-images/mine/1biw) | DESIGN AND SYNTHESIS OF CONFORMATIONALLY-CONSTRAINED MMP INHIBITORS | Descriptor: | CALCIUM ION, N1-HYDROXY-2-(3-HYDROXY-PROPYL)-3-ISOBUTYL-N4-[1-(2-METHOXY-ETHYL)-2-OXO-AZEPAN-3-YL]-SUCCINAMIDE, PROTEIN (STROMELYSIN-1 COMPLEX), ... | Authors: | Natchus, M.G, Cheng, M, Wahl, C.T, Pikul, S, Almstead, N.G, Bradley, R.S, Taiwo, Y.O, Mieling, G.E, Dunaway, C.M, Snider, C.E, McIver, J.M, Barnett, B.L, McPhail, S.J, Anastasio, M.B, De, B. | Deposit date: | 1998-06-19 | Release date: | 1999-07-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Design and synthesis of conformationally-constrained MMP inhibitors. Bioorg.Med.Chem.Lett., 8, 1998
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4R4E
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![BU of 4r4e by Molmil](/molmil-images/mine/4r4e) | Structure of GlnR-DNA complex | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, DNA (5'-D(*AP*TP*TP*CP*TP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*AP*GP*TP*A)-3'), ... | Authors: | Schumacher, M.A. | Deposit date: | 2014-08-19 | Release date: | 2015-03-04 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Structures of regulatory machinery reveal novel molecular mechanisms controlling B. subtilis nitrogen homeostasis. Genes Dev., 29, 2015
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3MKY
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![BU of 3mky by Molmil](/molmil-images/mine/3mky) | Structure of SopB(155-323)-18mer DNA complex, I23 form | Descriptor: | DNA (5'-D(*CP*TP*GP*GP*GP*AP*CP*CP*AP*TP*GP*GP*TP*CP*CP*CP*AP*G)-3'), Protein sopB, SULFATE ION | Authors: | Schumacher, M.A, Piro, K, Xu, W. | Deposit date: | 2010-04-15 | Release date: | 2010-05-05 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Insight into F plasmid DNA segregation revealed by structures of SopB and SopB-DNA complexes. Nucleic Acids Res., 38, 2010
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1JT0
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![BU of 1jt0 by Molmil](/molmil-images/mine/1jt0) | Crystal structure of a cooperative QacR-DNA complex | Descriptor: | HYPOTHETICAL TRANSCRIPTIONAL REGULATOR IN QACA 5'REGION, QACA operator, SULFATE ION | Authors: | Schumacher, M.A, Miller, M.C, Grkovic, S, Brown, M.H, Skurray, R.A, Brennan, R.G. | Deposit date: | 2001-08-20 | Release date: | 2002-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis for cooperative DNA binding by two dimers of the multidrug-binding protein QacR. EMBO J., 21, 2002
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1JUP
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![BU of 1jup by Molmil](/molmil-images/mine/1jup) | Crystal structure of the multidrug binding transcriptional repressor QacR bound to malachite green | Descriptor: | HYPOTHETICAL TRANSCRIPTIONAL REGULATOR IN QACA 5'REGION, MALACHITE GREEN, SULFATE ION | Authors: | Schumacher, M.A, Miller, M.C, Grkovic, S, Brown, M.H, Skurray, R.A, Brennan, R.G. | Deposit date: | 2001-08-24 | Release date: | 2001-12-12 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structural mechanisms of QacR induction and multidrug recognition. Science, 294, 2001
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1SXI
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![BU of 1sxi by Molmil](/molmil-images/mine/1sxi) | Structure of apo transcription regulator B. megaterium | Descriptor: | Glucose-resistance amylase regulator, MAGNESIUM ION | Authors: | Schumacher, M.A, Allen, G.S, Diel, M, Seidel, G, Hillen, W, Brennan, R.G. | Deposit date: | 2004-03-30 | Release date: | 2004-10-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural studies on the apo transcription factor form B. megaterium Cell(Cambridge,Mass.), 118, 2004
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1JTX
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![BU of 1jtx by Molmil](/molmil-images/mine/1jtx) | Crystal structure of the multidrug binding transcriptional regulator QacR bound to crystal violet | Descriptor: | CRYSTAL VIOLET, HYPOTHETICAL TRANSCRIPTIONAL REGULATOR IN QACA 5'REGION, SULFATE ION | Authors: | Schumacher, M.A, Miller, M.C, Grkovic, S, Brown, M.H, Skurray, R.A, Brennan, R.G. | Deposit date: | 2001-08-22 | Release date: | 2001-12-07 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structural mechanisms of QacR induction and multidrug recognition. Science, 294, 2001
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4I5B
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4OB4
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![BU of 4ob4 by Molmil](/molmil-images/mine/4ob4) | Structure of the S. venezulae BldD DNA-binding domain | Descriptor: | Putative DNA-binding protein | Authors: | schumacher, M.A, Tschowri, N, Buttner, M, Brennan, R. | Deposit date: | 2014-01-06 | Release date: | 2014-11-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Tetrameric c-di-GMP mediates effective transcription factor dimerization to control Streptomyces development. Cell(Cambridge,Mass.), 158, 2014
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3TPV
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![BU of 3tpv by Molmil](/molmil-images/mine/3tpv) | Structure of pHipA bound to ADP | Descriptor: | ADENINE, SULFATE ION, Serine/threonine-protein kinase HipA | Authors: | Schumacher, M.A, Link, T.M, Brennan, R.G. | Deposit date: | 2011-09-08 | Release date: | 2012-10-03 | Last modified: | 2012-10-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Role of Unusual P Loop Ejection and Autophosphorylation in HipA-Mediated Persistence and Multidrug Tolerance. Cell Rep, 2, 2012
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1JTY
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![BU of 1jty by Molmil](/molmil-images/mine/1jty) | Crystal structure of the multidrug binding transcriptional regulator QacR bound to ethidium | Descriptor: | ETHIDIUM, HYPOTHETICAL TRANSCRIPTIONAL REGULATOR IN QACA 5'REGION, SULFATE ION | Authors: | Schumacher, M.A, Miller, M.C, Grkovic, S, Brown, M.H, Skurray, R.A, Brennan, R.G. | Deposit date: | 2001-08-22 | Release date: | 2001-12-12 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.97 Å) | Cite: | Structural mechanisms of QacR induction and multidrug recognition. Science, 294, 2001
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1JUM
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![BU of 1jum by Molmil](/molmil-images/mine/1jum) | Crystal structure of the multidrug binding transcriptional repressor QacR bound to the natural drug berberine | Descriptor: | BERBERINE, HYPOTHETICAL TRANSCRIPTIONAL REGULATOR IN QACA 5'REGION, SULFATE ION | Authors: | Schumacher, M.A, Miller, M.C, Grkovic, S, Brown, M.H, Skurray, R.A, Brennan, R.G. | Deposit date: | 2001-08-24 | Release date: | 2001-12-12 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | Structural mechanisms of QacR induction and multidrug recognition. Science, 294, 2001
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1JUS
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![BU of 1jus by Molmil](/molmil-images/mine/1jus) | Crystal structure of the multidrug binding transcriptional repressor QacR bound to rhodamine 6G | Descriptor: | HYPOTHETICAL TRANSCRIPTIONAL REGULATOR IN QACA 5'REGION, RHODAMINE 6G, SULFATE ION | Authors: | Schumacher, M.A, Miller, M.C, Grkovic, S, Brown, M.H, Skurray, R.A, Brennan, R.G. | Deposit date: | 2001-08-27 | Release date: | 2001-12-12 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Structural mechanisms of QacR induction and multidrug recognition. Science, 294, 2001
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3PM1
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![BU of 3pm1 by Molmil](/molmil-images/mine/3pm1) | Structure of QacR E90Q bound to Ethidium | Descriptor: | ETHIDIUM, HTH-type transcriptional regulator qacR, SULFATE ION | Authors: | Schumacher, M.A. | Deposit date: | 2010-11-15 | Release date: | 2011-07-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A single acidic residue can guide binding site selection but does not govern QacR cationic-drug affinity. Plos One, 6, 2011
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