4F0M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4f0m by Molmil](/molmil-images/mine/4f0m) | UNACTIVATED RUBISCO with MAGNESIUM AND A WATER MOLECULE BOUND | Descriptor: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | Authors: | Stec, B. | Deposit date: | 2012-05-04 | Release date: | 2012-11-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural mechanism of RuBisCO activation by carbamylation of the active site lysine. Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
6NKS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nks by Molmil](/molmil-images/mine/6nks) | |
6NKW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nkw by Molmil](/molmil-images/mine/6nkw) | |
6NL0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nl0 by Molmil](/molmil-images/mine/6nl0) | |
4DHO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dho by Molmil](/molmil-images/mine/4dho) | Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening | Descriptor: | (2-{2-[(3-methoxyphenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid, 14-3-3 protein sigma, CHLORIDE ION, ... | Authors: | Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. | Deposit date: | 2012-01-30 | Release date: | 2013-07-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions. Chem.Commun.(Camb.), 49, 2013
|
|
4DHU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dhu by Molmil](/molmil-images/mine/4dhu) | Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening | Descriptor: | (2-{2-[(2,3-dichlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid, 14-3-3 PROTEIN SIGMA, CHLORIDE ION, ... | Authors: | Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. | Deposit date: | 2012-01-30 | Release date: | 2013-07-31 | Last modified: | 2013-09-04 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions. Chem.Commun.(Camb.), 49, 2013
|
|
4DT8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dt8 by Molmil](/molmil-images/mine/4dt8) | |
4I41
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4i41 by Molmil](/molmil-images/mine/4i41) | Crystal Structure of human Ser/Thr kinase Pim1 in complex with mitoxantrone | Descriptor: | 1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)-9,10-ANTHRACENEDIONE, Serine/threonine-protein kinase pim-1 | Authors: | Zhang, W, Wan, X, Xie, Y, Huang, N. | Deposit date: | 2012-11-27 | Release date: | 2013-12-11 | Last modified: | 2019-07-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A new target for an old drug: identifying mitoxantrone as a nanomolar inhibitor of PIM1 kinase via kinome-wide selectivity modeling. J. Med. Chem., 56, 2013
|
|
4DF3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4df3 by Molmil](/molmil-images/mine/4df3) | |
4DHQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dhq by Molmil](/molmil-images/mine/4dhq) | Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening | Descriptor: | (2-{2-[(3-chlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid, 14-3-3 protein sigma, CHLORIDE ION, ... | Authors: | Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. | Deposit date: | 2012-01-30 | Release date: | 2013-07-31 | Last modified: | 2013-09-04 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions. Chem.Commun.(Camb.), 49, 2013
|
|
4I0G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4i0g by Molmil](/molmil-images/mine/4i0g) | Design and Synthesis of Thiophene Dihydroisoquinolins as Novel BACE-1 Inhibitors | Descriptor: | 3-(4-bromothiophen-3-yl)-N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-L-alanine, Beta-secretase 1, ZINC ION | Authors: | Yao, N, Brecht, E. | Deposit date: | 2012-11-16 | Release date: | 2013-03-06 | Last modified: | 2013-04-24 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates. Bioorg.Med.Chem.Lett., 23, 2013
|
|
4DTA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dta by Molmil](/molmil-images/mine/4dta) | |
4HZT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hzt by Molmil](/molmil-images/mine/4hzt) | Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates | Descriptor: | 3-{(1S)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}-1,2,4-oxadiazol-5(2H)-one, Beta-secretase 1, ZINC ION | Authors: | Yao, N, Brecht, E. | Deposit date: | 2012-11-15 | Release date: | 2013-03-06 | Last modified: | 2013-04-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates. Bioorg.Med.Chem.Lett., 23, 2013
|
|
4BXO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bxo by Molmil](/molmil-images/mine/4bxo) | Architecture and DNA recognition elements of the Fanconi anemia FANCM- FAAP24 complex | Descriptor: | 5'-D(*GP*AP*TP*GP*AP*TP*GP*CP*TP*GP*CP)-3', 5'-D(*TP*CP*AP*GP*CP*AP*TP*CP*AP*TP*CP)-3', CALCIUM ION, ... | Authors: | Coulthard, R, Deans, A, Swuec, P, Bowles, M, Purkiss, A, Costa, A, West, S, McDonald, N. | Deposit date: | 2013-07-15 | Release date: | 2013-08-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Architecture and DNA Recognition Elements of the Fanconi Anemia Fancm-Faap24 Complex. Structure, 21, 2013
|
|
4I1C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4i1c by Molmil](/molmil-images/mine/4i1c) | Design and synthesis of thiophene dihydroisoquinolins as novel BACE-1 inhibitors | Descriptor: | BETA-SECRETASE 1, N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-[2-propyl-4-(1H-pyrazol-4-yl)thiophen-3-yl]-L-alanine, ZINC ION | Authors: | Lougheed, J.C, Brecht, E, Yao, N.H. | Deposit date: | 2012-11-20 | Release date: | 2013-03-06 | Last modified: | 2013-07-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design and synthesis of thiophene dihydroisoquinolines as novel BACE1 inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
|
|
6N2R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6n2r by Molmil](/molmil-images/mine/6n2r) | |
4J1L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4j1l by Molmil](/molmil-images/mine/4j1l) | Mutant Endotoxin TeNT | Descriptor: | Tetanus toxin, ZINC ION | Authors: | Guo, J, Pan, X, Zhao, Y, Chen, S. | Deposit date: | 2013-02-01 | Release date: | 2014-02-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Engineering Clostridia Neurotoxins with elevated catalytic activity Toxicon, 74, 2013
|
|
4J48
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4j48 by Molmil](/molmil-images/mine/4j48) | Crystal structure of XIAP-BIR2 domain with AMRV bound | Descriptor: | E3 ubiquitin-protein ligase XIAP, GLYCEROL, PEPTIDE (ALA-MET-ARG-VAL), ... | Authors: | Gosu, R. | Deposit date: | 2013-02-06 | Release date: | 2013-09-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The structure of XIAP BIR2: understanding the selectivity of the BIR domains. Acta Crystallogr.,Sect.D, 69, 2013
|
|
3TR0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3tr0 by Molmil](/molmil-images/mine/3tr0) | Structure of guanylate kinase (gmk) from Coxiella burnetii | Descriptor: | GUANOSINE-5'-MONOPHOSPHATE, Guanylate kinase, SULFATE ION | Authors: | Cheung, J, Franklin, M, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J. | Deposit date: | 2011-09-09 | Release date: | 2011-09-21 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.851 Å) | Cite: | Structural genomics for drug design against the pathogen Coxiella burnetii. Proteins, 83, 2015
|
|
4IUW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4iuw by Molmil](/molmil-images/mine/4iuw) | Crystal structure of PEPO from Lactobacillus rhamnosis HN001 (DR20) | Descriptor: | CARBONATE ION, CITRIC ACID, Neutral endopeptidase, ... | Authors: | Anderson, B.F, Knapp, K.M, Holland, R, Norris, G.E, Christensson, C, Bratt, H, Collins, L.J, Coolbear, T, Lubbers, M.W, Toole, P.W.O, Reid, J.R, Jameson, G.B. | Deposit date: | 2013-01-21 | Release date: | 2013-03-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure of PEPO from Lactobacillus rhamnosis HN001 (DR20) TO BE PUBLISHED
|
|
6NXB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nxb by Molmil](/molmil-images/mine/6nxb) | ECAII IN COMPLEX WITH CITRATE AT PH 7 | Descriptor: | CITRIC ACID, GLYCEROL, L-asparaginase 2 | Authors: | Lubkowski, J, Wlodawer, A. | Deposit date: | 2019-02-08 | Release date: | 2019-08-07 | Last modified: | 2019-11-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Opportunistic complexes of E. coli L-asparaginases with citrate anions. Sci Rep, 9, 2019
|
|
3TQU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3tqu by Molmil](/molmil-images/mine/3tqu) | Structure of a HAM1 protein from Coxiella burnetii | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Non-canonical purine NTP pyrophosphatase | Authors: | Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J. | Deposit date: | 2011-09-09 | Release date: | 2011-09-21 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural genomics for drug design against the pathogen Coxiella burnetii. Proteins, 83, 2015
|
|
6NX6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nx6 by Molmil](/molmil-images/mine/6nx6) | |
3U7A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3u7a by Molmil](/molmil-images/mine/3u7a) | AL-09 Y32F Y96F | Descriptor: | Amyloidogenic immunoglobulin light chain protein AL-09 Y32F Y96F, variable domain | Authors: | DiCostanzo, A.C, Thompson, J.R, Ramirez-Alvarado, M. | Deposit date: | 2011-10-13 | Release date: | 2012-07-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Tyrosine Residues mediate crucial interactions in amyloid formation for immunoglobulin light chains To be Published
|
|
4J4O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4j4o by Molmil](/molmil-images/mine/4j4o) | Crystal structure of FK506 binding domain of plasmodium VIVAX FKBP35 in complex with D44 | Descriptor: | 70 kDa peptidylprolyl isomerase, putative, GLYCEROL, ... | Authors: | Sreekanth, R, Harikishore, A, Yoon, H.S. | Deposit date: | 2013-02-07 | Release date: | 2013-09-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Small molecule Plasmodium FKBP35 inhibitor as a potential antimalaria agent. Sci Rep, 3, 2013
|
|