6RXK
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![BU of 6rxk by Molmil](/molmil-images/mine/6rxk) | Crystal structure of CobB wt in complex with H4K16-Butyryl peptide | Descriptor: | Histone H4, NAD-dependent protein deacylase, ZINC ION | Authors: | Spinck, M, Gasper, R, Neumann, H. | Deposit date: | 2019-06-08 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Evolved, Selective Erasers of Distinct Lysine Acylations. Angew.Chem.Int.Ed.Engl., 59, 2020
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6RXS
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![BU of 6rxs by Molmil](/molmil-images/mine/6rxs) | Crystal structure of CobB Ac3(A76G,Y92A, I131L, V187Y) in complex with H4K16-Acetyl peptide | Descriptor: | GLYCEROL, Histone H4, NAD-dependent protein deacylase, ... | Authors: | Spinck, M, Gasper, R, Neumann, H. | Deposit date: | 2019-06-08 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.599 Å) | Cite: | Evolved, Selective Erasers of Distinct Lysine Acylations. Angew.Chem.Int.Ed.Engl., 59, 2020
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6RXJ
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![BU of 6rxj by Molmil](/molmil-images/mine/6rxj) | Crystal structure of CobB wt in complex with H4K16-Acetyl peptide | Descriptor: | Histone H4, NAD-dependent protein deacylase, ZINC ION | Authors: | Spinck, M, Gasper, R, Neumann, H. | Deposit date: | 2019-06-08 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Evolved, Selective Erasers of Distinct Lysine Acylations. Angew.Chem.Int.Ed.Engl., 59, 2020
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2OQC
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![BU of 2oqc by Molmil](/molmil-images/mine/2oqc) | Crystal Structure of Penicillin V acylase from Bacillus subtilis | Descriptor: | Penicillin V acylase | Authors: | Suresh, C.G, Rathinaswamy, P, Pundle, A.V, Prabhune, A.A, Sivaraman, H, Brannigan, J.A, Dodson, G.G. | Deposit date: | 2007-01-31 | Release date: | 2008-01-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of Penicillin V acylase from Bacillus subtilis to be published
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1KKD
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![BU of 1kkd by Molmil](/molmil-images/mine/1kkd) | Solution structure of the calmodulin binding domain (CaMBD) of small conductance Ca2+-activated potassium channels (SK2) | Descriptor: | Small conductance calcium-activated potassium channel protein 2 | Authors: | Wissmann, R, Bildl, W, Neumann, H, Rivard, A.F, Kloecker, N, Weitz, D, Schulte, U, Adelman, J.P, Bentrop, D, Fakler, B. | Deposit date: | 2001-12-07 | Release date: | 2001-12-14 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | A helical region in the C terminus of small-conductance Ca2+-activated K+ channels controls assembly with apo-calmodulin. J.Biol.Chem., 277, 2002
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1HS4
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![BU of 1hs4 by Molmil](/molmil-images/mine/1hs4) | |
7PZD
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![BU of 7pzd by Molmil](/molmil-images/mine/7pzd) | Cryo-EM structure of the NLRP3 PYD filament | Descriptor: | NACHT, LRR and PYD domains-containing protein 3 | Authors: | Hochheiser, I.V, Hagelueken, G, Behrmann, H, Behrmann, E, Geyer, M. | Deposit date: | 2021-10-12 | Release date: | 2022-04-20 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Directionality of PYD filament growth determined by the transition of NLRP3 nucleation seeds to ASC elongation. Sci Adv, 8, 2022
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4JV6
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![BU of 4jv6 by Molmil](/molmil-images/mine/4jv6) | The crystal structure of PDE6D in complex to inhibitor-1 | Descriptor: | 1-benzyl-2-phenyl-1H-benzimidazole, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | Authors: | Gunther, Z, Papke, B, Ismail, S, Vartak, N, Chandra, A, Hoffmann, M, Hahn, S, Triola, G, Wittinghofer, A, Bastiaens, P, Waldmann, H. | Deposit date: | 2013-03-25 | Release date: | 2013-05-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Small molecule inhibition of the KRAS PDEd interaction impairs oncogenic KRAS signalling Nature, 497, 2013
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4JVB
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![BU of 4jvb by Molmil](/molmil-images/mine/4jvb) | Crystal structure of PDE6D in complex with the inhibitor rac-2 | Descriptor: | 1-benzyl-2-(4-{[(2R)-2-(2-phenyl-1H-benzimidazol-1-yl)pent-4-en-1-yl]oxy}phenyl)-1H-benzimidazole, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | Authors: | Gunther, Z, Papke, B, Ismail, S, Vartak, N, Chandra, A, Hoffmann, M, Hahn, S, Triola, G, Wittinghofer, A, Bastiaens, P, Waldmann, H. | Deposit date: | 2013-03-25 | Release date: | 2013-05-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Small molecule inhibition of the KRAS PDEd interaction impairs oncogenic KRAS signalling Nature, 497, 2013
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4JVF
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![BU of 4jvf by Molmil](/molmil-images/mine/4jvf) | The Crystal structure of PDE6D in complex with the inhibitor (s)-5 | Descriptor: | (2S)-2-(2-phenyl-1H-benzimidazol-1-yl)-2-(piperidin-4-yl)ethyl 1-(1-benzyl-1H-benzimidazol-2-yl)piperidine-4-carboxylate, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | Authors: | Gunther, Z, Papke, B, Ismail, S, Vartak, N, Chandra, A, Hoffmann, M, Hahn, S, Triola, G, Wittinghofer, A, Bastiaens, P, Waldmann, H. | Deposit date: | 2013-03-25 | Release date: | 2013-05-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Small molecule inhibition of the KRAS PDEd interaction impairs oncogenic KRAS signalling Nature, 497, 2013
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4M46
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![BU of 4m46 by Molmil](/molmil-images/mine/4m46) | |
3Q4C
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![BU of 3q4c by Molmil](/molmil-images/mine/3q4c) | Crystal Structure of Wild Type BRAF kinase domain in complex with organometallic inhibitor CNS292 | Descriptor: | Serine/threonine-protein kinase B-raf, [(1,2,3,4,5,6-eta)-(1S,2R,3R,4R,5S,6S)-1-carboxycyclohexane-1,2,3,4,5,6-hexayl](chloro)(3-methyl-5,7-dioxo-6,7-dihydro-5H-pyrido[2,3-a]pyrrolo[3,4-c]carbazol-12-ide-kappa~2~N~1~,N~12~)ruthenium(1+) | Authors: | Xie, P, Streu, C, Qin, J, Pregman, H, Pagano, N, Meggers, E, Marmorstein, R. | Deposit date: | 2010-12-23 | Release date: | 2011-03-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | The crystal structure of BRAF in complex with an organoruthenium inhibitor reveals a mechanism for inhibition of an active form of BRAF kinase. Biochemistry, 48, 2009
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4M0M
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![BU of 4m0m by Molmil](/molmil-images/mine/4m0m) | The crystal structure of a functionally unknown protein lpg2422 from Legionella pneumophila subsp. pneumophila str. Philadelphia 1 | Descriptor: | PHOSPHATE ION, Putative uncharacterized protein, TETRAETHYLENE GLYCOL | Authors: | Tan, K, Li, H, Clancy, S, Shuman, H, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2013-08-01 | Release date: | 2013-08-21 | Method: | X-RAY DIFFRACTION (2.192 Å) | Cite: | The crystal structure of a functionally unknown protein lpg2422 from Legionella pneumophila subsp. pneumophila str. Philadelphia 1 To be Published
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1HS1
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![BU of 1hs1 by Molmil](/molmil-images/mine/1hs1) | |
1HS3
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![BU of 1hs3 by Molmil](/molmil-images/mine/1hs3) | |
1N5J
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![BU of 1n5j by Molmil](/molmil-images/mine/1n5j) | CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE COMPLEXED WITH THYMIDINE DIPHOSPHATE (TDP) AND THYMIDINE TRIPHOSPHATE (TTP) AT PH 5.4 (1.85 A RESOLUTION) | Descriptor: | MAGNESIUM ION, SULFATE ION, THYMIDINE-5'-DIPHOSPHATE, ... | Authors: | Fioravanti, E, Haouz, A, Ursby, T, Munier-Lehmann, H, Delarue, M, Bourgeois, D. | Deposit date: | 2002-11-06 | Release date: | 2003-04-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Mycobacterium tuberculosis Thymidylate Kinase: Structural Studies of Intermediates along the
Reaction Pathway J.Mol.Biol., 327, 2003
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1N5I
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![BU of 1n5i by Molmil](/molmil-images/mine/1n5i) | CRYSTAL STRUCTURE OF INACTIVE MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE COMPLEXED WITH THYMIDINE MONOPHOSPHATE (TMP) AT PH 4.6 (RESOLUTION 1.85 A) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CITRATE ANION, SULFATE ION, ... | Authors: | Fioravanti, E, Haouz, A, Ursby, T, Munier-Lehmann, H, Delarue, M, Bourgeois, D. | Deposit date: | 2002-11-06 | Release date: | 2003-04-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Mycobacterium tuberculosis Thymidylate Kinase: Structural Studies of Intermediates along the Reaction Pathway J.Mol.Biol., 327, 2003
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1N5K
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![BU of 1n5k by Molmil](/molmil-images/mine/1n5k) | CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE CRYSTALLIZED IN SODIUM MALONATE (RESOLUTION 2.1 A) | Descriptor: | ACETATE ION, MAGNESIUM ION, THYMIDINE-5'-PHOSPHATE, ... | Authors: | Fioravanti, E, Haouz, A, Ursby, T, Munier-Lehmann, H, Delarue, M, Bourgeois, D. | Deposit date: | 2002-11-06 | Release date: | 2003-04-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Mycobacterium tuberculosis Thymidylate Kinase: Structural Studies of Intermediates along the
Reaction Pathway J.Mol.Biol., 375, 2003
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1N5L
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![BU of 1n5l by Molmil](/molmil-images/mine/1n5l) | CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE CRYSTALLIZED IN SODIUM MALONATE, AFTER CATALYSIS IN THE CRYSTAL (2.3 A RESOLUTION) | Descriptor: | ACETATE ION, DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Fioravanti, E, Haouz, A, Ursby, T, Munier-Lehmann, H, Delarue, M, Bourgeois, D. | Deposit date: | 2002-11-06 | Release date: | 2003-04-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Mycobacterium tuberculosis Thymidylate Kinase: Structural Studies of Intermediates along the
Reaction Pathway J.Mol.Biol., 375, 2003
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4JV8
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![BU of 4jv8 by Molmil](/molmil-images/mine/4jv8) | The crystal structure of PDE6D in complex with rac-S1 | Descriptor: | (6R)-6-(pyridin-2-yl)-5,6-dihydrobenzimidazo[1,2-c]quinazoline, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | Authors: | Gunther, Z, Papke, B, Ismail, S, Vartak, N, Chandra, A, Hoffmann, M, Hahn, S, Triola, G, Wittinghofer, A, Bastiaens, P, Waldmann, H. | Deposit date: | 2013-03-25 | Release date: | 2013-05-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Small molecule inhibition of the KRAS PDEd interaction impairs oncogenic KRAS signalling Nature, 497, 2013
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5AHM
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![BU of 5ahm by Molmil](/molmil-images/mine/5ahm) | IMP-bound form of the DeltaCBS mutant of IMPDH from Pseudomonas aeruginosa | Descriptor: | INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE, INOSINIC ACID, PHOSPHATE ION | Authors: | Labesse, G, Alexandre, T, Gelin, M, Haouz, A, Munier-Lehmann, H. | Deposit date: | 2015-02-06 | Release date: | 2015-07-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Crystallographic Studies of Two Variants of Pseudomonas Aeruginosa Impdh with Impaired Allosteric Regulation Acta Crystallogr.,Sect.D, 71, 2015
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5AHL
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![BU of 5ahl by Molmil](/molmil-images/mine/5ahl) | Apo-form of the DeltaCBS mutant of IMPDH from Pseudomonas aeruginosa | Descriptor: | INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE, SODIUM ION | Authors: | Labesse, G, Alexandre, T, Gelin, M, Haouz, A, Munier-Lehmann, H. | Deposit date: | 2015-02-06 | Release date: | 2015-07-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.951 Å) | Cite: | Crystallographic Studies of Two Variants of Pseudomonas Aeruginosa Impdh with Impaired Allosteric Regulation Acta Crystallogr.,Sect.D, 71, 2015
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3KLO
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![BU of 3klo by Molmil](/molmil-images/mine/3klo) | Vibrio cholerae VpsT bound to c-di-GMP | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), D(-)-TARTARIC ACID, Transcriptional regulator VpsT | Authors: | Krasteva, P.V, Navarro, V.A.S, Sondermann, H. | Deposit date: | 2009-11-08 | Release date: | 2010-02-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.802 Å) | Cite: | Vibrio cholerae VpsT Regulates Matrix Production and Motility by Directly Sensing Cyclic di-GMP. Science, 327, 2010
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5ARG
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![BU of 5arg by Molmil](/molmil-images/mine/5arg) | SMYD2 in complex with SGC probe BAY-598 | Descriptor: | GLYCEROL, N-LYSINE METHYLTRANSFERASE SMYD2, N-[1-(N'-CYANO-N-[3-(DIFLUOROMETHOXY)PHENYL]CARBAMIMIDOYL)-3-(3,4-DICHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-4-YL]-N-ETHYL-2-HYDROXYACETAMIDE, ... | Authors: | Hillig, R.C, Badock, V, Barak, N, Stellfeld, T, Eggert, E, ter Laak, A, Weiske, J, Christ, C.D, Koehr, S, Stoeckigt, D, Mowat, J, Mueller, T, Fernandez-Montalvan, A.E, Hartung, I.V, Stresemann, C, Brumby, T, Weinmann, H. | Deposit date: | 2015-09-24 | Release date: | 2016-04-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Discovery and Characterization of a Highly Potent and Selective Aminopyrazoline-Based in Vivo Probe (Bay-598) for the Protein Lysine Methyltransferase Smyd2. J.Med.Chem., 59, 2016
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3PZ1
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![BU of 3pz1 by Molmil](/molmil-images/mine/3pz1) | Crystal structure of RabGGTase(DELTA LRR; DELTA IG) in Complex with BMS3 | Descriptor: | (3R)-3-benzyl-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-carbonitrile, CALCIUM ION, DIMETHYL SULFOXIDE, ... | Authors: | Guo, Z, Bon, R.S, Stigter, E.A, Waldmann, H, Alexandrov, K, Blankenfeldt, W, Goody, R.S. | Deposit date: | 2010-12-14 | Release date: | 2011-05-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-Guided Development of Selective RabGGTase Inhibitors. Angew.Chem.Int.Ed.Engl., 50, 2011
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