3VEU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3veu by Molmil](/molmil-images/mine/3veu) | Crystal Structure of Human Beta Secretase in Complex with NVP-AVI326 | Descriptor: | (2S)-N-[(2S,3R)-3-hydroxy-1-phenyl-4-{[3-(propan-2-yl)benzyl]amino}butan-2-yl]-2-[(5S)-6-oxo-1-propyl-1,7-diazaspiro[4.4]non-7-yl]propanamide, Beta-secretase 1 | Authors: | Rondeau, J.M, Bourgier, E. | Deposit date: | 2012-01-09 | Release date: | 2012-11-21 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Discovery of cyclic sulfone hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides J.Med.Chem., 55, 2012
|
|
1ECJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ecj by Molmil](/molmil-images/mine/1ecj) | |
1EDH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1edh by Molmil](/molmil-images/mine/1edh) | E-CADHERIN DOMAINS 1 AND 2 IN COMPLEX WITH CALCIUM | Descriptor: | CALCIUM ION, E-CADHERIN, MERCURY (II) ION | Authors: | Nagar, B, Overduin, M, Ikura, M, Rini, J.M. | Deposit date: | 1996-05-15 | Release date: | 1997-01-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis of calcium-induced E-cadherin rigidification and dimerization. Nature, 380, 1996
|
|
6R95
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6r95 by Molmil](/molmil-images/mine/6r95) | |
6R96
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6r96 by Molmil](/molmil-images/mine/6r96) | |
8CPK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8cpk by Molmil](/molmil-images/mine/8cpk) | |
3V8Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3v8z by Molmil](/molmil-images/mine/3v8z) | Structure of apo-glycogenin truncated at residue 270 complexed with UDP | Descriptor: | CHLORIDE ION, GLYCEROL, Glycogenin-1, ... | Authors: | Carrizo, M.E, Romero, J.M, Issoglio, F.M, Curtino, J.A. | Deposit date: | 2011-12-23 | Release date: | 2012-01-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and biochemical insight into glycogenin inactivation by the glycogenosis-causing T82M mutation. Febs Lett., 586, 2012
|
|
3VJF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3vjf by Molmil](/molmil-images/mine/3vjf) | Crystal structure of de novo 4-helix bundle protein WA20 | Descriptor: | POTASSIUM ION, WA20 | Authors: | Arai, R, Kimura, A, Kobayashi, N, Matsuo, K, Sato, T, Wang, A.F, Platt, J.M, Bradley, L.H, Hecht, M.H. | Deposit date: | 2011-10-18 | Release date: | 2012-03-28 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Domain-swapped dimeric structure of a stable and functional de novo four-helix bundle protein, WA20 J.Phys.Chem.B, 116, 2012
|
|
7NCS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ncs by Molmil](/molmil-images/mine/7ncs) | |
3VEH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3veh by Molmil](/molmil-images/mine/3veh) | Structure of a M. tuberculosis salicylate synthase, MbtI, in complex with an inhibitor methylAMT | Descriptor: | 3-{[(1Z)-1-carboxyprop-1-en-1-yl]oxy}-2-hydroxybenzoic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Bulloch, E.M, Chi, G, Manos-Turvey, A, Johnston, J.M, Baker, E.N, Payne, R.J, Lott, J.S, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2012-01-08 | Release date: | 2012-06-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Implications of binding mode and active site flexibility for inhibitor potency against the salicylate synthase from Mycobacterium tuberculosis. Biochemistry, 51, 2012
|
|
3VC3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3vc3 by Molmil](/molmil-images/mine/3vc3) | Crystal structure of beta-cyanoalanine synthase K95A mutant in soybean | Descriptor: | N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-L-CYSTEINE, beta-cyanoalnine synthase | Authors: | Yi, H, Jez, J.M. | Deposit date: | 2012-01-03 | Release date: | 2012-09-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.766 Å) | Cite: | Structure of Soybean beta-Cyanoalanine Synthase and the Molecular Basis for Cyanide Detoxification in Plants. Plant Cell, 24, 2012
|
|
3VIC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3vic by Molmil](/molmil-images/mine/3vic) | Green-fluorescent variant of the non-fluorescent chromoprotein Rtms5 | Descriptor: | CHLORIDE ION, GFP-like non-fluorescent chromoprotein, IODIDE ION | Authors: | Battad, J.M, Traore, D.A.K, Byres, E, Wilce, M, Devenish, R.J, Rossjohn, J, Prescott, M. | Deposit date: | 2011-09-28 | Release date: | 2012-06-06 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A Green Fluorescent Protein Containing a QFG Tri-Peptide Chromophore: Optical Properties and X-Ray Crystal Structure. Plos One, 7, 2012
|
|
5AJW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ajw by Molmil](/molmil-images/mine/5ajw) | Human PFKFB3 in complex with an indole inhibitor 2 | Descriptor: | 2-amino-N-[4-(2-amino-1-benzyl-3-cyano-indol-5-yl)oxyphenyl]acetamide, 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, ... | Authors: | Boyd, S, Brookfield, J.L, Critchlow, S.E, Cumming, I.A, Curtis, N.J, Debreczeni, J.E, Degorce, S.L, Donald, C, Evans, N.J, Groombridge, S, Hopcroft, P, Jones, N.P, Kettle, J.G, Lamont, S, Lewis, H.J, MacFaull, P, McLoughlin, S.B, Rigoreau, L.J.M, Smith, J.M, St-Gallay, S, Stock, J.K, Wheatley, E.R, Winter, J, Wingfield, J. | Deposit date: | 2015-02-27 | Release date: | 2015-04-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3. J.Med.Chem., 58, 2015
|
|
3V8E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3v8e by Molmil](/molmil-images/mine/3v8e) | Crystal structure of the yeast nicotinamidase Pnc1p bound to the inhibitor nicotinaldehyde | Descriptor: | MAGNESIUM ION, Nicotinamidase, ZINC ION | Authors: | Hoadley, K.A, Smith, B.C, Denu, J.M, Keck, J.L. | Deposit date: | 2011-12-22 | Release date: | 2012-01-25 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Structural and Kinetic Isotope Effect Studies of Nicotinamidase (Pnc1) from Saccharomyces cerevisiae. Biochemistry, 51, 2012
|
|
5AJZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ajz by Molmil](/molmil-images/mine/5ajz) | Human PFKFB3 in complex with an indole inhibitor 5 | Descriptor: | 2-azanyl-N-[4-[(3-cyano-1H-indol-5-yl)oxy]phenyl]ethanamide, 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, ... | Authors: | Boyd, S, Brookfield, J.L, Critchlow, S.E, Cumming, I.A, Curtis, N.J, Debreczeni, J.E, Degorce, S.L, Donald, C, Evans, N.J, Groombridge, S, Hopcroft, P, Jones, N.P, Kettle, J.G, Lamont, S, Lewis, H.J, MacFaull, P, McLoughlin, S.B, Rigoreau, L.J.M, Smith, J.M, St-Gallay, S, Stock, J.K, Wheatley, E.R, Winter, J, Wingfield, J. | Deposit date: | 2015-02-27 | Release date: | 2015-04-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3. J.Med.Chem., 58, 2015
|
|
3VK1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3vk1 by Molmil](/molmil-images/mine/3vk1) | Green-fluorescent variant of the non-fluorescent chromoprotein Rtms5 | Descriptor: | CHLORIDE ION, GFP-like non-fluorescent chromoprotein, IODIDE ION | Authors: | Battad, J.M, Traore, D.A.K, Wilce, M, Byres, M, Rossjohn, J, Devenish, R.J, Prescott, M. | Deposit date: | 2011-11-07 | Release date: | 2012-06-06 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A Green Fluorescent Protein Containing a QFG Tri-Peptide Chromophore: Optical Properties and X-Ray Crystal Structure. Plos One, 7, 2012
|
|
3W0L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3w0l by Molmil](/molmil-images/mine/3w0l) | The crystal structure of Xenopus Glucokinase and Glucokinase Regulatory Protein complex | Descriptor: | FRUCTOSE -6-PHOSPHATE, Glucokinase, Glucokinase regulatory protein, ... | Authors: | Choi, J.M, Seo, M.H, Kyeong, H.H, Kim, E, Kim, H.S. | Deposit date: | 2012-10-31 | Release date: | 2013-07-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.92 Å) | Cite: | Molecular basis for the role of glucokinase regulatory protein as the allosteric switch for glucokinase Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
5AK0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ak0 by Molmil](/molmil-images/mine/5ak0) | Human PFKFB3 in complex with an indole inhibitor 6 | Descriptor: | (2S)-N-[4-[1-METHYL-3-(1-METHYLPYRAZOL-4-YL)INDOL-5-YL]OXYPHENYL]PYRROLIDINE-2-CARBOXAMIDE, 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, ... | Authors: | Boyd, S, Brookfield, J.L, Critchlow, S.E, Cumming, I.A, Curtis, N.J, Debreczeni, J.E, Degorce, S.L, Donald, C, Evans, N.J, Groombridge, S, Hopcroft, P, Jones, N.P, Kettle, J.G, Lamont, S, Lewis, H.J, MacFaull, P, McLoughlin, S.B, Rigoreau, L.J.M, Smith, J.M, St-Gallay, S, Stock, J.K, Wheatley, E.R, Winter, J, Wingfield, J. | Deposit date: | 2015-02-27 | Release date: | 2015-04-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3. J.Med.Chem., 58, 2015
|
|
1M3V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1m3v by Molmil](/molmil-images/mine/1m3v) | FLIN4: Fusion of the LIM binding domain of Ldb1 and the N-terminal LIM domain of LMO4 | Descriptor: | ZINC ION, fusion of the LIM interacting domain of ldb1 and the N-terminal LIM domain of LMO4 | Authors: | Deane, J.E, Mackay, J.P, Kwan, A.H.Y, Sum, E.Y, Visvader, J.E, Matthews, J.M. | Deposit date: | 2002-06-30 | Release date: | 2003-05-13 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural basis for the recognition of ldb1 by the N-terminal LIM domains of LMO2 and LMO4 EMBO J., 22, 2003
|
|
1MBT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1mbt by Molmil](/molmil-images/mine/1mbt) | OXIDOREDUCTASE | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, URIDINE DIPHOSPHO-N-ACETYLENOLPYRUVYLGLUCOSAMINE REDUCTASE | Authors: | Benson, T.E, Walsh, C.T, Hogle, J.M. | Deposit date: | 1995-11-28 | Release date: | 1996-10-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The structure of the substrate-free form of MurB, an essential enzyme for the synthesis of bacterial cell walls. Structure, 4, 1996
|
|
1MBB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1mbb by Molmil](/molmil-images/mine/1mbb) | OXIDOREDUCTASE | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, URIDINE DIPHOSPHO-N-ACETYLENOLPYRUVYLGLUCOSAMINE REDUCTASE, URIDINE-DIPHOSPHATE-3(N-ACETYLGLUCOSAMINYL)BUTYRIC ACID | Authors: | Benson, T.E, Lees, W.J, Walsh, C.T, Hogle, J.M. | Deposit date: | 1995-11-07 | Release date: | 1996-10-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | (E)-enolbutyryl-UDP-N-acetylglucosamine as a mechanistic probe of UDP-N-acetylenolpyruvylglucosamine reductase (MurB). Biochemistry, 35, 1996
|
|
3MNR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3mnr by Molmil](/molmil-images/mine/3mnr) | Crystal Structure of Benzamide SNX-1321 bound to Hsp90 | Descriptor: | 2-[(3,4,5-trimethoxyphenyl)amino]-4-(2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide, Heat shock protein HSP 90-alpha | Authors: | Veal, J.M, Fadden, P, Huang, K.H, Rice, J, Hall, S.E, Haytstead, T.A. | Deposit date: | 2010-04-22 | Release date: | 2010-08-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Application of Chemoproteomics to Drug Discovery: Identification of a Clinical Candidate Targeting Hsp90. Chem.Biol., 17, 2010
|
|
1W79
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1w79 by Molmil](/molmil-images/mine/1w79) | Crystal structure of the DD-transpeptidase-carboxypeptidase from Actinomadura R39 | Descriptor: | D-alanyl-D-alanine carboxypeptidase, MAGNESIUM ION, SULFATE ION | Authors: | Sauvage, E, Herman, R, Petrella, S, Duez, C, Frere, J.M, Charlier, P. | Deposit date: | 2004-08-31 | Release date: | 2005-06-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of the Actinomadura R39 DD-peptidase reveals new domains in penicillin-binding proteins. J. Biol. Chem., 280, 2005
|
|
5HOO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hoo by Molmil](/molmil-images/mine/5hoo) | |
5I3O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5i3o by Molmil](/molmil-images/mine/5i3o) | Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor | Descriptor: | BMP-2-inducible protein kinase, N-(6-{3-[(dimethylsulfamoyl)amino]phenyl}-1H-indazol-3-yl)cyclopropanecarboxamide, SULFATE ION | Authors: | Counago, R.M, Sorrell, F.J, Krojer, T, Savitsky, P, Elkins, J.M, Axtman, A, Drewry, D, Wells, C, Zhang, C, Zuercher, W, Willson, T.M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Arruda, P, Gileadi, O, Structural Genomics Consortium (SGC) | Deposit date: | 2016-02-10 | Release date: | 2016-03-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor To Be Published
|
|