4JRM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jrm by Molmil](/molmil-images/mine/4jrm) | Crystal structure of beta-ketoacyl-ACP synthase II (FabF) from Vibrio Cholerae (space group P212121) at 1.75 Angstrom | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 2, ACETATE ION, GLYCEROL | Authors: | Hou, J, Chruszcz, M, Shabalin, I.G, Zheng, H, Cooper, D.R, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2013-03-21 | Release date: | 2013-04-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure of beta-ketoacyl-ACP synthase II (FabF) from Vibrio cholerae (space group P43) at 2.2 Angstrom To be Published
|
|
3GK2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3gk2 by Molmil](/molmil-images/mine/3gk2) | X-ray structure of bovine SBi279,Ca(2+)-S100B | Descriptor: | (Z)-2-[2-(4-methylpiperazin-1-yl)benzyl]diazenecarbothioamide, CACODYLATE ION, CALCIUM ION, ... | Authors: | Charpentier, T.H, Weber, D.J, Toth, E.A. | Deposit date: | 2009-03-09 | Release date: | 2009-06-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.984 Å) | Cite: | Small molecules bound to unique sites in the target protein binding cleft of calcium-bound S100B as characterized by nuclear magnetic resonance and X-ray crystallography. Biochemistry, 48, 2009
|
|
3QIZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3qiz by Molmil](/molmil-images/mine/3qiz) | Crystal Structure of BoNT/A LC complexed with Hydroxamate-based Inhibitor PT-2 | Descriptor: | (2S,4R)-2-(2-{[3-(4-fluoro-3-methylphenyl)propyl](methyl)amino}ethyl)-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide, Botulinum neurotoxin type A, DI(HYDROXYETHYL)ETHER, ... | Authors: | Thompson, A.A, Han, G.W, Stevens, R.C. | Deposit date: | 2011-01-28 | Release date: | 2011-04-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Characterization of Three Novel Hydroxamate-Based Zinc Chelating Inhibitors of the Clostridium botulinum Serotype A Neurotoxin Light Chain Metalloprotease Reveals a Compact Binding Site Resulting from 60/70 Loop Flexibility. Biochemistry, 50, 2011
|
|
2QY1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2qy1 by Molmil](/molmil-images/mine/2qy1) | pectate lyase A31G/R236F from Xanthomonas campestris | Descriptor: | PHOSPHATE ION, Pectate lyase II | Authors: | Garron, M.L, Shaya, D. | Deposit date: | 2007-08-13 | Release date: | 2008-02-26 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Improvement of the thermostability and activity of a pectate lyase by single amino acid substitutions, using a strategy based on melting-temperature-guided sequence alignment. Appl.Environ.Microbiol., 74, 2008
|
|
3QJF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3qjf by Molmil](/molmil-images/mine/3qjf) | Crystal structure of the 2B4 TCR | Descriptor: | 2B4 alpha chain, 2B4 beta chain | Authors: | Ely, L.K, Newell, E.W, Davis, M.M, Garcia, K.C. | Deposit date: | 2011-01-28 | Release date: | 2011-04-27 | Last modified: | 2011-08-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis of specificity and cross-reactivity in T cell receptors specific for cytochrome c-I-E(k). J.Immunol., 186, 2011
|
|
3GK4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3gk4 by Molmil](/molmil-images/mine/3gk4) | X-ray structure of bovine SBi523,Ca(2+)-S100B | Descriptor: | CALCIUM ION, Protein S100-B, ethyl 5-{[(1R)-1-(ethoxycarbonyl)-2-oxopropyl]sulfanyl}-1,2-dihydro[1,2,3]triazolo[1,5-a]quinazoline-3-carboxylate | Authors: | Charpentier, T.H, Weber, D.J, Toth, E.A. | Deposit date: | 2009-03-09 | Release date: | 2009-06-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Small molecules bound to unique sites in the target protein binding cleft of calcium-bound S100B as characterized by nuclear magnetic resonance and X-ray crystallography. Biochemistry, 48, 2009
|
|
4JTM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jtm by Molmil](/molmil-images/mine/4jtm) | |
3Q8L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3q8l by Molmil](/molmil-images/mine/3q8l) | Crystal Structure of Human Flap Endonuclease FEN1 (WT) in complex with substrate 5'-flap DNA, SM3+, and K+ | Descriptor: | DNA (5'-D(*AP*CP*CP*GP*TP*CP*C)-3'), DNA (5'-D(*AP*CP*TP*CP*TP*GP*CP*CP*TP*CP*AP*AP*GP*AP*CP*GP*GP*T)-3'), DNA (5'-D(*TP*TP*GP*AP*GP*GP*CP*AP*GP*AP*GP*T)-3'), ... | Authors: | Tsutakawa, S.E, Classen, S, Chapados, B.R, Arvai, A, Finger, D.L, Guenther, G, Tomlinson, C.G, Thompson, P, Sarker, A.H, Shen, B, Cooper, P.K, Grasby, J.A, Tainer, J.A. | Deposit date: | 2011-01-06 | Release date: | 2011-04-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.319 Å) | Cite: | Human Flap Endonuclease Structures, DNA Double-Base Flipping, and a Unified Understanding of the FEN1 Superfamily. Cell(Cambridge,Mass.), 145, 2011
|
|
3GKA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3gka by Molmil](/molmil-images/mine/3gka) | |
3Q9L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3q9l by Molmil](/molmil-images/mine/3q9l) | The structure of the dimeric E.coli MinD-ATP complex | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Septum site-determining protein minD | Authors: | Wu, W, Park, K.-T, Lutkenhaus, J, Holyoak, T. | Deposit date: | 2011-01-08 | Release date: | 2011-01-26 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.343 Å) | Cite: | Determination of the structure of the MinD-ATP complex reveals the orientation of MinD on the membrane and the relative location of the binding sites for MinE and MinC. Mol.Microbiol., 79, 2011
|
|
4F3M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4f3m by Molmil](/molmil-images/mine/4f3m) | Crystal structure of CRISPR-associated protein | Descriptor: | 1,2-ETHANEDIOL, BH0337 protein, SULFATE ION | Authors: | Ke, A, Nam, K.H. | Deposit date: | 2012-05-09 | Release date: | 2012-08-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Cas5d Protein Processes Pre-crRNA and Assembles into a Cascade-like Interference Complex in Subtype I-C/Dvulg CRISPR-Cas System. Structure, 20, 2012
|
|
3QLW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3qlw by Molmil](/molmil-images/mine/3qlw) | Candida albicans dihydrofolate reductase complexed with NADPH and 5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine (UCP120B) | Descriptor: | 5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative uncharacterized protein CaJ7.0360 | Authors: | Paulsen, J.L, Bendel, S.D, Anderson, A.C. | Deposit date: | 2011-02-03 | Release date: | 2011-07-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.504 Å) | Cite: | Crystal Structures of Candida albicans Dihydrofolate Reductase Bound to Propargyl-Linked Antifolates Reveal the Flexibility of Active Site Loop Residues Critical for Ligand Potency and Selectivity. Chem.Biol.Drug Des., 78, 2011
|
|
4EZ5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ez5 by Molmil](/molmil-images/mine/4ez5) | CDK6 (monomeric) in complex with inhibitor | Descriptor: | Cyclin-dependent kinase 6, {5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl}[2-(isoquinolin-4-yl)pyridin-4-yl]methanone | Authors: | Chopra, R, Xu, M. | Deposit date: | 2012-05-02 | Release date: | 2013-02-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Fragment-Based Discovery of 7-Azabenzimidazoles as Potent, Highly Selective, and Orally Active CDK4/6 Inhibitors. ACS Med Chem Lett, 3, 2012
|
|
3QMD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3qmd by Molmil](/molmil-images/mine/3qmd) | Structural Basis of Selective Binding of Nonmethylated CpG Islands by the CXXC Domain of CFP1 | Descriptor: | CpG-binding protein, DNA (5'-D(*GP*CP*CP*AP*AP*CP*GP*AP*TP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*AP*TP*CP*GP*TP*TP*GP*GP*C)-3'), ... | Authors: | Lam, R, Xu, C, Bian, C.B, Kania, J, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2011-02-04 | Release date: | 2011-02-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The structural basis for selective binding of non-methylated CpG islands by the CFP1 CXXC domain. Nat Commun, 2, 2011
|
|
3QMJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3qmj by Molmil](/molmil-images/mine/3qmj) | |
3QC3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3qc3 by Molmil](/molmil-images/mine/3qc3) | |
3GUA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3gua by Molmil](/molmil-images/mine/3gua) | Sulfates bound in the vestibule of AChBP | Descriptor: | SULFATE ION, Soluble acetylcholine receptor | Authors: | Hansen, S.B, Taylor, P. | Deposit date: | 2009-03-28 | Release date: | 2009-07-14 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | An Ion Selectivity Filter in the Extracellular Domain of Cys-loop Receptors Reveals Determinants for Ion Conductance J.Biol.Chem., 283, 2008
|
|
2R1Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2r1z by Molmil](/molmil-images/mine/2r1z) | |
4JR2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jr2 by Molmil](/molmil-images/mine/4jr2) | |
2ON6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2on6 by Molmil](/molmil-images/mine/2on6) | Crystal structure of human purine nucleoside phosphorylase mutant H257F with Imm-H | Descriptor: | 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL, Purine nucleoside phosphorylase | Authors: | Rinaldo-Matthis, A, Murkin, A.S, Almo, S.C, Schramm, V.L. | Deposit date: | 2007-01-23 | Release date: | 2007-05-22 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.503 Å) | Cite: | Neighboring Group Participation in the Transition State of Human Purine Nucleoside Phosphorylase Biochemistry, 46, 2007
|
|
4F8R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4f8r by Molmil](/molmil-images/mine/4f8r) | Bacillus DNA Polymerase I Large Fragment complex 7 | Descriptor: | DNA (5'-D(*CP*AP*TP*TP*CP*GP*AP*GP*TP*CP*AP*GP*G)-3'), DNA (5'-D(*CP*CP*TP*GP*AP*CP*TP*CP*(DDG))-3'), DNA polymerase, ... | Authors: | Wang, W, Beese, L.S. | Deposit date: | 2012-05-17 | Release date: | 2013-08-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Structures of a High-fidelity DNA Polymerase to be published
|
|
2ONC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2onc by Molmil](/molmil-images/mine/2onc) | Crystal structure of human DPP-4 | Descriptor: | 2-({2-[(3R)-3-AMINOPIPERIDIN-1-YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Feng, J, Zhang, Z, Wallace, M.B, Stafford, J.A, Kaldor, S.W, Kassel, D.B, Navre, M, Shi, L, Skene, R.J, Asakawa, T, Takeuchi, K, Xu, R, Webb, D.R, Gwaltney, S.L. | Deposit date: | 2007-01-23 | Release date: | 2008-03-04 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Discovery of alogliptin: a potent, selective, bioavailable, and efficacious inhibitor of dipeptidyl peptidase IV. J.Med.Chem., 50, 2007
|
|
2OOV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2oov by Molmil](/molmil-images/mine/2oov) | |
2OLP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2olp by Molmil](/molmil-images/mine/2olp) | Structure and ligand selection of hemoglobin II from Lucina pectinata | Descriptor: | Hemoglobin II, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Gavira, J.A, Camara-Artigas, A, de Jesus, W, Lopez-Garriga, J, Garcia-Ruiz, J.M. | Deposit date: | 2007-01-19 | Release date: | 2007-12-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.932 Å) | Cite: | Structure and Ligand Selection of Hemoglobin II from Lucina pectinata J.Biol.Chem., 283, 2008
|
|
4JDV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jdv by Molmil](/molmil-images/mine/4jdv) | Crystal structure of germ-line precursor of NIH45-46 Fab | Descriptor: | Fab heavy chain, Fab light chain, GLYCEROL, ... | Authors: | Diskin, R, Scharf, L, Bjorkman, P.J. | Deposit date: | 2013-02-25 | Release date: | 2013-03-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural basis for HIV-1 gp120 recognition by a germ-line version of a broadly neutralizing antibody. Proc.Natl.Acad.Sci.USA, 110, 2013
|
|