2GB5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2gb5 by Molmil](/molmil-images/mine/2gb5) | |
3HHE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3hhe by Molmil](/molmil-images/mine/3hhe) | |
4W86
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4w86 by Molmil](/molmil-images/mine/4w86) | Crystal structure of XEG5A, a GH5 xyloglucan-specific endo-beta-1,4-glucanase from ruminal metagenomic library, in complex with glucose and TRIS | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, Xyloglucan-specific endo-beta-1,4-glucanase, ... | Authors: | Santos, C.R, Cordeiro, R.L, Wong, D.W.S, Murakami, M.T. | Deposit date: | 2014-08-22 | Release date: | 2015-03-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Structural Basis for Xyloglucan Specificity and alpha-d-Xylp(1 6)-d-Glcp Recognition at the -1 Subsite within the GH5 Family. Biochemistry, 54, 2015
|
|
6DG4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dg4 by Molmil](/molmil-images/mine/6dg4) | |
3HIZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3hiz by Molmil](/molmil-images/mine/3hiz) | Crystal structure of p110alpha H1047R mutant in complex with niSH2 of p85alpha | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Amzel, L.M, Vogelstein, B, Gabelli, S.B, Mandelker, D. | Deposit date: | 2009-05-20 | Release date: | 2009-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | A frequent kinase domain mutation that changes the interaction between PI3K{alpha} and the membrane. Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
3HIO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3hio by Molmil](/molmil-images/mine/3hio) | Crystal structure of Ricin A-chain in complex with the cyclic tetranucleotide inhibitor, a transition state analogue | Descriptor: | 9,9'-{(2R,3R,3aR,5S,7aR,9R,10R,10aR,12S,23R,25aR,27R,28R,28aR,30S,32aR,35aR,37S,39aR)-9-(6-amino-9H-purin-9-yl)-34-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-5,12,23,30,37-pentahydroxy-3,10,28-trimethoxy-5,12,23,30,37-pentaoxidotetracosahydro-2H,7H,25H-trifuro[3,2-f:3',2'-l:3'',2''-x]pyrrolo[3,4-r][1,3,5,9,11,15,17,21,23,27,29,2,4,10,16,22,28]undecaoxazapentaphosphacyclopentatriacontine-2,27-diyl}bis(2-amino-3,9-dihydro-6H-purin-6-one), Ricin, SULFATE ION | Authors: | Ho, M, Sturm, M.B, Goldman, J.D, Almo, S.C, Schramm, V.L. | Deposit date: | 2009-05-20 | Release date: | 2009-12-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Transition state analogues in structures of ricin and saporin ribosome-inactivating proteins. Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
3UTF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3utf by Molmil](/molmil-images/mine/3utf) | |
3UPZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3upz by Molmil](/molmil-images/mine/3upz) | |
3UQF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3uqf by Molmil](/molmil-images/mine/3uqf) | c-SRC kinase domain in complex with BKI RM-1-89 | Descriptor: | 3-(6-ethoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src | Authors: | Merritt, E.A, Larson, E.T. | Deposit date: | 2011-11-20 | Release date: | 2012-03-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1. J.Med.Chem., 55, 2012
|
|
6ZBV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zbv by Molmil](/molmil-images/mine/6zbv) | Inward-open structure of human glycine transporter 1 in complex with a benzoylisoindoline inhibitor and sybody Sb_GlyT1#7 | Descriptor: | Sodium- and chloride-dependent glycine transporter 1,Sodium- and chloride-dependent glycine transporter 1, Sybody Sb_GlyT1#7, [5-fluoranyl-6-(oxan-4-yloxy)-1,3-dihydroisoindol-2-yl]-[5-methylsulfonyl-2-[2,2,3,3,3-pentakis(fluoranyl)propoxy]phenyl]methanone | Authors: | Shahsavar, A, Stohler, P, Bourenkov, G, Zimmermann, I, Siegrist, M, Guba, W, Pinard, E, Sinning, S, Seeger, M.A, Schneider, T.R, Dawson, R.J.P, Nissen, P. | Deposit date: | 2020-06-09 | Release date: | 2021-03-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structural insights into the inhibition of glycine reuptake. Nature, 591, 2021
|
|
4WDQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wdq by Molmil](/molmil-images/mine/4wdq) | Crystal structure of haloalkane dehalogenase LinB32 mutant (L177W) from Sphingobium japonicum UT26 | Descriptor: | CHLORIDE ION, Haloalkane dehalogenase, MAGNESIUM ION | Authors: | Degtjarik, O, Rezacova, P, Chaloupkova, R, Damborsky, J, Kuta-Smatanova, I. | Deposit date: | 2014-09-09 | Release date: | 2015-12-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Crystal structure of haloalkane dehalogenase LinB mutant (L177W) from Sphingobium japonicum UT26 Acs Catalysis, 2016
|
|
3UXE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3uxe by Molmil](/molmil-images/mine/3uxe) | Design, Synthesis and Biological Evaluation of Potent Quinoline and Pyrroloquinoline Ammosamide Analogues as Inhibitors for Quinone Reductase 2 | Descriptor: | 8-amino-7-chloro-1-methyl-6-(methylideneamino)-2-oxo-1,2-dihydropyrrolo[4,3,2-de]quinoline-4-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Reddy, N.P, Jensen, K.C, Mesecar, A.D, Fanwick, P.E, Cushman, M. | Deposit date: | 2011-12-05 | Release date: | 2012-01-18 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Design, synthesis, and biological evaluation of potent quinoline and pyrroloquinoline ammosamide analogues as inhibitors of quinone reductase 2. J.Med.Chem., 55, 2012
|
|
3HFO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3hfo by Molmil](/molmil-images/mine/3hfo) | |
6Z0L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6z0l by Molmil](/molmil-images/mine/6z0l) | Het-N2 - De novo designed three-helix heterodimer with Cysteine at the N2 position of the alpha-helix | Descriptor: | CADMIUM ION, Cys-N2 Strand, Positive Strand, ... | Authors: | McEwen, A.G, Poussin-Courmontagne, P, Naudin, E.A, DeGrado, W.F, Torbeev, V. | Deposit date: | 2020-05-09 | Release date: | 2021-03-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Acyl Transfer Catalytic Activity in De Novo Designed Protein with N-Terminus of alpha-Helix As Oxyanion-Binding Site. J.Am.Chem.Soc., 143, 2021
|
|
3HHM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3hhm by Molmil](/molmil-images/mine/3hhm) | Crystal structure of p110alpha H1047R mutant in complex with niSH2 of p85alpha and the drug wortmannin | Descriptor: | (1S,6BR,9AS,11R,11BR)-9A,11B-DIMETHYL-1-[(METHYLOXY)METHYL]-3,6,9-TRIOXO-1,6,6B,7,8,9,9A,10,11,11B-DECAHYDRO-3H-FURO[4, 3,2-DE]INDENO[4,5-H][2]BENZOPYRAN-11-YL ACETATE, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, ... | Authors: | Amzel, L.M, Vogelstein, B, Gabelli, S.B, Mandelker, D. | Deposit date: | 2009-05-15 | Release date: | 2009-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A frequent kinase domain mutation that changes the interaction between PI3K{alpha} and the membrane. Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
6YUU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yuu by Molmil](/molmil-images/mine/6yuu) | Crystal structure of M. tuberculosis InhA inhibited by SKTS1 | Descriptor: | 6-[4-(4-hexyl-2-oxidanyl-phenoxy)phenoxy]pyridin-2-ol, CHLORIDE ION, Enoyl-[acyl-carrier-protein] reductase [NADH], ... | Authors: | Eltschkner, S, Schiebel, J, Kehrein, J, Le, T.A, Davoodi, S, Merget, B, Weinrich, J.D, Tonge, P.J, Engels, B, Sotriffer, C.A, Kisker, C. | Deposit date: | 2020-04-27 | Release date: | 2021-03-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | A Long Residence Time Enoyl-Reductase Inhibitor Explores an Extended Binding Region with Isoenzyme-Dependent Tautomer Adaptation and Differential Substrate-Binding Loop Closure. Acs Infect Dis., 7, 2021
|
|
3UZV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3uzv by Molmil](/molmil-images/mine/3uzv) | Crystal structure of the dengue virus serotype 2 envelope protein domain III in complex with the variable domains of Mab 4E11 | Descriptor: | ETHANOL, anti-dengue Mab 4E11, envelope protein | Authors: | Cockburn, J.J.B, Navarro Sanchez, M.E, Fretes, N, Urvoas, A, Staropoli, I, Kikuti, C.M, Coffey, L.L, Arenzana Seisdedos, F, Bedouelle, H, Rey, F.A. | Deposit date: | 2011-12-07 | Release date: | 2012-02-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Mechanism of dengue virus broad cross-neutralization by a monoclonal antibody. Structure, 20, 2012
|
|
6Z0M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6z0m by Molmil](/molmil-images/mine/6z0m) | Het-Ncap - De novo designed three-helix heterodimer with Cysteine at the Ncap position of the alpha-helix | Descriptor: | Cys-Ncap strand, Positive Strand, SULFATE ION, ... | Authors: | McEwen, A.G, Poussin-Courmontagne, P, Naudin, E.A, DeGrado, W.F, Torbeev, V. | Deposit date: | 2020-05-09 | Release date: | 2021-03-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Acyl Transfer Catalytic Activity in De Novo Designed Protein with N-Terminus of alpha-Helix As Oxyanion-Binding Site. J.Am.Chem.Soc., 143, 2021
|
|
6DAD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dad by Molmil](/molmil-images/mine/6dad) | 1.65 Angstrom crystal structure of the N97I Ca/CaM:CaV1.2 IQ domain complex | Descriptor: | CALCIUM ION, Calmodulin-1, Voltage-dependent L-type calcium channel subunit alpha-1C | Authors: | Wang, K, Van Petegem, F. | Deposit date: | 2018-05-01 | Release date: | 2018-10-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Arrhythmia mutations in calmodulin cause conformational changes that affect interactions with the cardiac voltage-gated calcium channel. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
3HI8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3hi8 by Molmil](/molmil-images/mine/3hi8) | Crystal structure of proliferating cell nuclear antigen (PCNA) from Haloferax volcanii | Descriptor: | Proliferating cell nuclear antigen PcnA | Authors: | Morgunova, E, Gray, F.C, MacNeill, S.A, Ladenstein, R. | Deposit date: | 2009-05-19 | Release date: | 2009-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.202 Å) | Cite: | Structural insights into the adaptation of proliferating cell nuclear antigen (PCNA) from Haloferax volcanii to a high-salt environment. Acta Crystallogr.,Sect.D, 65, 2009
|
|
6Z0C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6z0c by Molmil](/molmil-images/mine/6z0c) | Structure of in silico modelled artificial Maquette-3 protein | Descriptor: | Maquette-3, POTASSIUM ION | Authors: | Baumgart, M, Roepke, M, Muehlbauer, M.E, Asami, S, Mader, S.L, Fredriksson, K, Groll, M, Gamiz-Hernandez, A.P, Kaila, V.R.I. | Deposit date: | 2020-05-08 | Release date: | 2021-03-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Design of buried charged networks in artificial proteins Nat Commun, 12, 2021
|
|
2XBN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xbn by Molmil](/molmil-images/mine/2xbn) | Inhibition of the PLP-dependent enzyme serine palmitoyltransferase by cycloserine: evidence for a novel decarboxylative mechanism of inactivation | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, MAGNESIUM ION, SERINE PALMITOYLTRANSFERASE | Authors: | Lowther, J, Yard, B.A, Johnson, K.A, Carter, L.G, Bhat, V.T, Raman, M.C.C, Clarke, D.J, Ramakers, B, McMahon, S.A, Naismith, J.H, Campopiano, D.J. | Deposit date: | 2010-04-13 | Release date: | 2010-05-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Inhibition of the Plp-Dependent Enzyme Serine Palmitoyltransferase by Cycloserine: Evidence for a Novel Decarboxylative Mechanism of Inactivation. Mol.Biosystems, 6, 2010
|
|
4V4T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4v4t by Molmil](/molmil-images/mine/4v4t) | Crystal structure of the whole ribosomal complex with a stop codon in the A-site. | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Petry, S, Brodersen, D.E, Murphy IV, F.V, Dunham, C.M, Selmer, M, Tarry, M.J, Kelley, A.C, Ramakrishnan, V. | Deposit date: | 2005-10-12 | Release date: | 2014-07-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (6.46 Å) | Cite: | Crystal Structures of the Ribosome in Complex with Release Factors RF1 and RF2 Bound to a Cognate Stop Codon. Cell(Cambridge,Mass.), 123, 2005
|
|
3V3C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3v3c by Molmil](/molmil-images/mine/3v3c) | |
3V1M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3v1m by Molmil](/molmil-images/mine/3v1m) | Crystal Structure of the S112A/H265Q mutant of a C-C hydrolase, BphD from Burkholderia xenovorans LB400, after exposure to its substrate HOPDA | Descriptor: | (3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE, 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase, MALONATE ION | Authors: | Ghosh, S, Bolin, J.T. | Deposit date: | 2011-12-09 | Release date: | 2012-03-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Identification of an Acyl-Enzyme Intermediate in a meta-Cleavage Product Hydrolase Reveals the Versatility of the Catalytic Triad. J.Am.Chem.Soc., 134, 2012
|
|