4BMJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bmj by Molmil](/molmil-images/mine/4bmj) | Structure of the UBZ1and2 tandem of the ubiquitin-binding adaptor protein TAX1BP1 | Descriptor: | CHLORIDE ION, TAX1-BINDING PROTEIN 1, ZINC ION | Authors: | Ceregido, M.A, Spinola-Amilibia, M, Buts, L, Rivera, J, Bravo, J, van Nuland, N.A.J. | Deposit date: | 2013-05-09 | Release date: | 2013-11-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | The Structure of Tax1BP1 Ubz1 + 2 Provides Insight Into Target Specificity and Adaptability J.Mol.Biol., 426, 2014
|
|
2X0I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2x0i by Molmil](/molmil-images/mine/2x0i) | 2.9 A RESOLUTION STRUCTURE OF MALATE DEHYDROGENASE FROM ARCHAEOGLOBUS FULGIDUS IN COMPLEX WITH NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, MALATE DEHYDROGENASE, SODIUM ION, ... | Authors: | Irimia, A, Madern, D, Zaccai, G, Vellieux, F.M.D, Karshikoff, A, Tibbelin, G, Ladenstein, R, Lien, T, Birkeland, N.-K. | Deposit date: | 2009-12-14 | Release date: | 2009-12-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | The 2.9A Resolution Crystal Structure of Malate Dehydrogenase from Archaeoglobus Fulgidus: Mechanisms of Oligomerisation and Thermal Stabilisation. J.Mol.Biol., 335, 2004
|
|
4M3F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4m3f by Molmil](/molmil-images/mine/4m3f) | Rapid and efficient design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging and linking approaches | Descriptor: | HTH-type transcriptional regulator EthR, N-(3-methylbutyl)-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide | Authors: | Villemagne, B, Flipo, M, Blondiaux, N, Crauste, C, Malaquin, S, Leroux, F, Piveteau, C, Villeret, V, Brodin, P, Villoutreix, B, Sperandio, O, Wohlkonig, A, Wintjens, R, Deprez, B, Baulard, A, Willand, N. | Deposit date: | 2013-08-06 | Release date: | 2014-06-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Ligand Efficiency Driven Design of New Inhibitors of Mycobacterium tuberculosis Transcriptional Repressor EthR Using Fragment Growing, Merging, and Linking Approaches. J.Med.Chem., 57, 2014
|
|
4DVZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dvz by Molmil](/molmil-images/mine/4dvz) | Crystal structure of the Helicobacter pylori CagA oncoprotein | Descriptor: | Cytotoxicity-associated immunodominant antigen | Authors: | Hayashi, T, Senda, M, Morohashi, H, Higashi, H, Horio, M, Kashiba, Y, Nagase, L, Sasaya, D, Shimizu, T, Venugopalan, N, Kumeta, H, Noda, N, Inagaki, F, Senda, T, Hatakeyama, M. | Deposit date: | 2012-02-23 | Release date: | 2012-07-25 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | Tertiary structure-function analysis reveals the pathogenic signaling potentiation mechanism of Helicobacter pylori oncogenic effector CagA Cell Host Microbe, 12, 2012
|
|
4MZM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mzm by Molmil](/molmil-images/mine/4mzm) | MazF from S. aureus crystal form I, P212121, 2.1 A | Descriptor: | mRNA interferase MazF | Authors: | Zorzini, V, Loris, R, van Nuland, N.A.J, Cheung, A. | Deposit date: | 2013-09-30 | Release date: | 2014-05-28 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and biophysical characterization of Staphylococcus aureus SaMazF shows conservation of functional dynamics. Nucleic Acids Res., 42, 2014
|
|
4P0D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4p0d by Molmil](/molmil-images/mine/4p0d) | The T6 backbone pilin of serotype M6 Streptococcus pyogenes has a modular three-domain structure decorated with variable loops and extensions | Descriptor: | CALCIUM ION, IODIDE ION, Trypsin-resistant surface T6 protein | Authors: | Young, P.G, Moreland, N.J, Loh, J.M, Bell, A, Atatoa-Carr, P, Proft, T, Baker, E.N. | Deposit date: | 2014-02-20 | Release date: | 2014-08-27 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Conservation, Variability, and Immunogenicity of the T6 Backbone Pilin of Serotype M6 Streptococcus pyogenes. Infect.Immun., 82, 2014
|
|
4MZT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mzt by Molmil](/molmil-images/mine/4mzt) | MazF from S. aureus crystal form II, C2221, 2.3 A | Descriptor: | MazF mRNA interferase | Authors: | Zorzini, V, Loris, R, van Nuland, N.A.J, Cheung, A. | Deposit date: | 2013-09-30 | Release date: | 2014-05-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.303 Å) | Cite: | Structural and biophysical characterization of Staphylococcus aureus SaMazF shows conservation of functional dynamics. Nucleic Acids Res., 42, 2014
|
|
3ZBE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3zbe by Molmil](/molmil-images/mine/3zbe) | |
3ZLY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3zly by Molmil](/molmil-images/mine/3zly) | Crystal structure of MEK1 in complex with fragment 8 | Descriptor: | 3-AMINO-1H-INDAZOLE-4-CARBONITRILE, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, SODIUM ION | Authors: | Amaning, K, Lowinsky, M, Vallee, F, Steier, V, Marcireau, C, Ugolini, A, Delorme, C, McCort, G, Andouche, C, Vougier, S, Llopart, S, Halland, N, Rak, A. | Deposit date: | 2013-02-04 | Release date: | 2013-05-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | The Use of Virtual Screening and Differential Scanning Fluorimetry for the Rapid Identification of Fragments Active Against Mek1. Bioorg.Med.Chem.Lett., 23, 2013
|
|
3ZLX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3zlx by Molmil](/molmil-images/mine/3zlx) | Crystal structure of MEK1 in complex with fragment 18 | Descriptor: | 7-choro-6-[(3R)-pyrrolidin-3-ylmethoxy]isoquinolin-1(2H)-one, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1 | Authors: | Amaning, K, Lowinsky, M, Vallee, F, Steier, V, Marcireau, C, Ugolini, A, Delorme, C, McCort, G, Andouche, C, Vougier, S, Llopart, S, Halland, N, Rak, A. | Deposit date: | 2013-02-04 | Release date: | 2013-05-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Use of Virtual Screening and Differential Scanning Fluorimetry for the Rapid Identification of Fragments Active Against Mek1. Bioorg.Med.Chem.Lett., 23, 2013
|
|
4C1Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4c1y by Molmil](/molmil-images/mine/4c1y) | Crystal Structure of Fucose binding lectin from Aspergillus Fumigatus (AFL) in complex with b-methylfucoside | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, FUCOSE-SPECIFIC LECTIN FLEA, ... | Authors: | Houser, J, Komarek, J, Kostlanova, N, Lahmann, M, Cioci, G, Varrot, A, Imberty, A, Wimmerova, M. | Deposit date: | 2013-08-14 | Release date: | 2014-08-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Structural Insights Into Aspergillus Fumigatus Lectin Specificity: Afl Binding Sites are Functionally Non-Equivalent. Acta Crystallogr.,Sect.D, 71, 2015
|
|
4M3D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4m3d by Molmil](/molmil-images/mine/4m3d) | Rapid and efficient design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging and linking approaches | Descriptor: | 4-{3-[(phenylsulfonyl)amino]prop-1-yn-1-yl}-N-(3,3,3-trifluoropropyl)benzamide, HTH-type transcriptional regulator EthR | Authors: | Villemagne, B, Flipo, M, Blondiaux, N, Crauste, C, Malaquin, S, Leroux, F, Piveteau, C, Villeret, V, Brodin, P, Villoutreix, B, Sperandio, O, Wohlkonig, A, Wintjens, R, Deprez, B, Baulard, A, Willand, N. | Deposit date: | 2013-08-06 | Release date: | 2014-06-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Ligand Efficiency Driven Design of New Inhibitors of Mycobacterium tuberculosis Transcriptional Repressor EthR Using Fragment Growing, Merging, and Linking Approaches. J.Med.Chem., 57, 2014
|
|
3SFI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3sfi by Molmil](/molmil-images/mine/3sfi) | Ethionamide Boosters Part 2: Combining Bioisosteric Replacement and Structure-Based Drug Design to Solve Pharmacokinetic Issues in a Series of Potent 1,2,4-Oxadiazole EthR Inhibitors. | Descriptor: | 5,5,5-trifluoro-1-{4-[3-(1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}pentan-1-one, Transcriptional regulatory repressor protein (TETR-family) | Authors: | Flipo, M, Desroses, M, Lecat-Guillet, N, Villemagne, B, Blondiaux, N, Leroux, F, Piveteau, C, Mathys, V, Flament, M.P, Siepmann, J, Villeret, V, Wohlkonig, A, Wintjens, R, Soror, S.H, Christophe, T, Jeon, H.K, Locht, C, Brodin, P, D prez, B, Baulard, A.R, Willand, N. | Deposit date: | 2011-06-13 | Release date: | 2011-12-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Ethionamide Boosters. 2. Combining Bioisosteric Replacement and Structure-Based Drug Design To Solve Pharmacokinetic Issues in a Series of Potent 1,2,4-Oxadiazole EthR Inhibitors. J.Med.Chem., 55, 2012
|
|
3SDG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3sdg by Molmil](/molmil-images/mine/3sdg) | Ethionamide Boosters Part 2: Combining Bioisosteric Replacement and Structure-Based Drug Design to Solve Pharmacokinetic Issues in a Series of Potent 1,2,4-Oxadiazole EthR Inhibitors. | Descriptor: | 4,4,4-trifluoro-1-{4-[3-(1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butan-1-one, HTH-type transcriptional regulator EthR | Authors: | Flipo, M, Desroses, M, Lecat-Guillet, N, Villemagne, B, Blondiaux, N, Leroux, F, Piveteau, C, Mathys, V, Flament, M.P, Siepmann, J, Villeret, V, Wohlkonig, A, Wintjens, R, Soror, S.H, Christophe, T, Jeon, H.K, Locht, C, Brodin, P, D prez, B, Baulard, A.R, Willand, N. | Deposit date: | 2011-06-09 | Release date: | 2011-12-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Ethionamide Boosters. 2. Combining Bioisosteric Replacement and Structure-Based Drug Design To Solve Pharmacokinetic Issues in a Series of Potent 1,2,4-Oxadiazole EthR Inhibitors. J.Med.Chem., 55, 2012
|
|
4BYA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bya by Molmil](/molmil-images/mine/4bya) | Calmodulin, C-terminal domain, M144H mutant | Descriptor: | CALCIUM ION, CALMODULIN, C-TERMINAL DOMAIN, ... | Authors: | Moroz, Y.S, Wu, Y, van Nuland, N.A.J, Korendovych, I.V. | Deposit date: | 2013-07-18 | Release date: | 2014-06-18 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | New Tricks for Old Proteins: Single Mutations in a Nonenzymatic Protein Give Rise to Various Enzymatic Activities. J.Am.Chem.Soc., 137, 2015
|
|
1B4A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1b4a by Molmil](/molmil-images/mine/1b4a) | STRUCTURE OF THE ARGININE REPRESSOR FROM BACILLUS STEAROTHERMOPHILUS | Descriptor: | ARGININE REPRESSOR | Authors: | Ni, J, Sakanyan, V, Charlier, D, Glansdorff, N, Van Duyne, G.D. | Deposit date: | 1998-12-18 | Release date: | 1999-06-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of the arginine repressor from Bacillus stearothermophilus. Nat.Struct.Biol., 6, 1999
|
|
1B4B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1b4b by Molmil](/molmil-images/mine/1b4b) | STRUCTURE OF THE OLIGOMERIZATION DOMAIN OF THE ARGININE REPRESSOR FROM BACILLUS STEAROTHERMOPHILUS | Descriptor: | ARGININE, ARGININE REPRESSOR | Authors: | Ni, J, Sakanyan, V, Charlier, D, Glansdorff, N, Van Duyne, G.D. | Deposit date: | 1998-12-18 | Release date: | 1999-06-15 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of the arginine repressor from Bacillus stearothermophilus. Nat.Struct.Biol., 6, 1999
|
|
1DTO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1dto by Molmil](/molmil-images/mine/1dto) | CRYSTAL STRUCTURE OF THE COMPLETE TRANSACTIVATION DOMAIN OF E2 PROTEIN FROM THE HUMAN PAPILLOMAVIRUS TYPE 16 | Descriptor: | REGULATORY PROTEIN E2 | Authors: | Antson, A.A, Burns, J.E, Moroz, O.V, Scott, D.J, Sanders, C.M, Bronstein, I.B, Dodson, G.G, Wilson, K.S, Maitland, N. | Deposit date: | 2000-01-13 | Release date: | 2000-02-23 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of the intact transactivation domain of the human papillomavirus E2 protein. Nature, 403, 2000
|
|