4UGR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ugr by Molmil](/molmil-images/mine/4ugr) | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with N-(3-(((2S,4S)-4-((3-((C-thiophen-2-ylcarbonimidoyl)amino)phenyl) methoxy)pyrrolidin-2-yl)methoxymethyl)phenyl)thiophene-2- carboximidamide | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORIDE ION, GLYCEROL, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2015-03-22 | Release date: | 2015-06-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry, 54, 2015
|
|
6R8O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6r8o by Molmil](/molmil-images/mine/6r8o) | Human Cyclophilin D in complex with 1-(((2R,3S,6R)-3-hydroxy-2,3,4,6-tetrahydro-1H-2,6-methanobenzo[c][1,5]oxazocin-8-yl)methyl)-3-(2-((R)-2-(2-(methylthio)phenyl)pyrrolidin-1-yl)-2-oxoethyl)urea | Descriptor: | 1-(((2R,3S,6R)-3-hydroxy-2,3,4,6-tetrahydro-1H-2,6-methanobenzo[c][1,5]oxazocin-8-yl)methyl)-3-(2-((R)-2-(2-(methylthio)phenyl)pyrrolidin-1-yl)-2-oxoethyl)urea, PHOSPHATE ION, Peptidyl-prolyl cis-trans isomerase F, ... | Authors: | Graedler, U. | Deposit date: | 2019-04-02 | Release date: | 2019-11-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Discovery of novel Cyclophilin D inhibitors starting from three dimensional fragments with millimolar potencies. Bioorg.Med.Chem.Lett., 29, 2019
|
|
7DBL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7dbl by Molmil](/molmil-images/mine/7dbl) | Acyl-CoA hydrolase MpaH' mutant S139A in complex with MPA | Descriptor: | MYCOPHENOLIC ACID, acyl-CoA hydrolase MpaH' | Authors: | Li, S.Y, You, C. | Deposit date: | 2020-10-20 | Release date: | 2021-04-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Structural basis for substrate specificity of the peroxisomal acyl-CoA hydrolase MpaH' involved in mycophenolic acid biosynthesis. Febs J., 288, 2021
|
|
4UMW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4umw by Molmil](/molmil-images/mine/4umw) | CRYSTAL STRUCTURE OF A ZINC-TRANSPORTING PIB-TYPE ATPASE IN E2.PI STATE | Descriptor: | MAGNESIUM ION, TETRAFLUOROALUMINATE ION, ZINC-TRANSPORTING ATPASE | Authors: | Wang, K.T, Sitsel, O, Meloni, G, Autzen, H.E, Andersson, M, Klymchuk, T, Nielsen, A.M, Rees, D.C, Nissen, P, Gourdon, P. | Deposit date: | 2014-05-21 | Release date: | 2014-08-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.705 Å) | Cite: | Structure and Mechanism of Zn(2+)-Transporting P-Type Atpases. Nature, 514, 2014
|
|
6R8W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6r8w by Molmil](/molmil-images/mine/6r8w) | Human Cyclophilin D in complex with 2-(exo-3,5-Dioxo-4-aza-tricyclo[5.2.1.02,6]dec-4-yl)-N-((1R,9R,10S)-10-hydroxy-12-oxa-8-aza-tricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ylmethyl)-acetamide | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 2-(exo-3,5-Dioxo-4-aza-tricyclo[5.2.1.02,6]dec-4-yl)-N-((1R,9R,10S)-10-hydroxy-12-oxa-8-aza-tricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ylmethyl)-acetamide, HEXAETHYLENE GLYCOL, ... | Authors: | Graedler, U. | Deposit date: | 2019-04-02 | Release date: | 2019-11-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Discovery of novel Cyclophilin D inhibitors starting from three dimensional fragments with millimolar potencies. Bioorg.Med.Chem.Lett., 29, 2019
|
|
4UNF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4unf by Molmil](/molmil-images/mine/4unf) | Crystal structure of Deinococcus radiodurans Endonuclease III-1 | Descriptor: | ACETATE ION, ENDONUCLEASE III-1, IRON/SULFUR CLUSTER, ... | Authors: | Sarre, A, Okvist, M, Klar, T, Hall, D, Smalas, A.O, McSweeney, S, Timmins, J, Moe, E. | Deposit date: | 2014-05-28 | Release date: | 2015-06-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural and Functional Characterization of Two Unusual Endonuclease III Enzymes from Deinococcus Radiodurans. J.Struct.Biol., 191, 2015
|
|
4UPE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4upe by Molmil](/molmil-images/mine/4upe) | Structure of the unready Ni-A state of the S499C mutant of D. fructosovorans NiFe-hydrogenase | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CARBONMONOXIDE-(DICYANO) IRON, ... | Authors: | Volbeda, A, Martin, L, Barbier, E, Gutierrez-Sanz, O, DeLacey, A.L, Liebgott, P.P, Dementin, S, Rousset, M, Fontecilla-Camps, J.C. | Deposit date: | 2014-06-16 | Release date: | 2014-10-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystallographic studies of [NiFe]-hydrogenase mutants: towards consensus structures for the elusive unready oxidized states. J. Biol. Inorg. Chem., 20, 2015
|
|
4UP3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4up3 by Molmil](/molmil-images/mine/4up3) | Crystal structure of the mutant C140S,C286Q thioredoxin reductase from Entamoeba histolytica | Descriptor: | 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Podust, L.M, Vieira, D.F. | Deposit date: | 2014-06-11 | Release date: | 2015-07-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | X-Ray Structures of Thioredoxin and Thioredoxin Reductase from Entamoeba Histolytica and Prevailing Hypothesis of the Mechanism of Auranofin Action. J.Struct.Biol., 194, 2016
|
|
6R9B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6r9b by Molmil](/molmil-images/mine/6r9b) | |
6R9S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6r9s by Molmil](/molmil-images/mine/6r9s) | Human Cyclophilin D in complex with bicyclic fragment | Descriptor: | (1~{R},9~{R},10~{S})-4-fluoranyl-12-oxa-8-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-10-ol, PENTAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase F, ... | Authors: | Graedler, U. | Deposit date: | 2019-04-04 | Release date: | 2019-11-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of novel Cyclophilin D inhibitors starting from three dimensional fragments with millimolar potencies. Bioorg.Med.Chem.Lett., 29, 2019
|
|
6R9U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6r9u by Molmil](/molmil-images/mine/6r9u) | Human Cyclophilin D in complex with fragment | Descriptor: | 14-ethyl-4,6-dioxa-10,14-diazatricyclo[7.6.0.0^{3,7}]pentadeca-1(9),2,7-trien-13-one, Peptidyl-prolyl cis-trans isomerase F, mitochondrial, ... | Authors: | Graedler, U. | Deposit date: | 2019-04-04 | Release date: | 2019-11-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Discovery of novel Cyclophilin D inhibitors starting from three dimensional fragments with millimolar potencies. Bioorg.Med.Chem.Lett., 29, 2019
|
|
6RA0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ra0 by Molmil](/molmil-images/mine/6ra0) | |
4UOH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4uoh by Molmil](/molmil-images/mine/4uoh) | Crystallographic structure of nucleoside diphosphate kinase from Litopenaeus vannamei complexed with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, NUCLEOSIDE DIPHOSPHATE KINASE | Authors: | Lopez-Zavala, A.A, Guevara-Hernandez, E, Stojanoff, V, Rudino-Pinera, E, Sotelo-Mundo, R.R. | Deposit date: | 2014-06-03 | Release date: | 2014-09-10 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.007 Å) | Cite: | Structure of Nucleoside Diphosphate Kinase from Pacific Shrimp (Litopenaeus Vannamei) in Binary Complexes with Purine and Pyrimidine Nucleoside Diphosphates Acta Crystallogr.,Sect.F, 79, 2014
|
|
4UOT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4uot by Molmil](/molmil-images/mine/4uot) | Thermodynamic hyperstability in parametrically designed helical bundles | Descriptor: | DESIGNED HELICAL BUNDLE 5H2L | Authors: | Oberdorfer, G, Huang, P, Pei, X.Y, Xu, C, Gonen, T, Nannenga, B, DiMaio, D, Rogers, J, Luisi, B.F, Baker, D. | Deposit date: | 2014-06-09 | Release date: | 2014-11-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | High Thermodynamic Stability of Parametrically Designed Helical Bundles Science, 346, 2014
|
|
6RA9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ra9 by Molmil](/molmil-images/mine/6ra9) | Novel structural features and post-translational modifications in eukaryotic elongation factor 1A2 from Oryctolagus cuniculus | Descriptor: | Elongation factor 1-alpha 2, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Carriles, A.A, Hermoso, J, Gago, F. | Deposit date: | 2019-04-05 | Release date: | 2020-06-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural Cues for Understanding eEF1A2 Moonlighting. Chembiochem, 22, 2021
|
|
6RAO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rao by Molmil](/molmil-images/mine/6rao) | |
4PAS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4pas by Molmil](/molmil-images/mine/4pas) | Heterodimeric coiled-coil structure of human GABA(B) receptor | Descriptor: | Gamma-aminobutyric acid type B receptor subunit 1, Gamma-aminobutyric acid type B receptor subunit 2 | Authors: | Burmakina, S, Geng, Y, Chen, Y, Fan, Q.R. | Deposit date: | 2014-04-10 | Release date: | 2014-05-07 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Heterodimeric coiled-coil interactions of human GABAB receptor. Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
4PB1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4pb1 by Molmil](/molmil-images/mine/4pb1) | Structure of vcCNT-7C8C bound to ribavirin | Descriptor: | 1-(beta-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxamide, DECYL-BETA-D-MALTOPYRANOSIDE, NupC family protein, ... | Authors: | Johnson, Z.L, Lee, S.-Y. | Deposit date: | 2014-04-11 | Release date: | 2014-08-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.803 Å) | Cite: | Structural basis of nucleoside and nucleoside drug selectivity by concentrative nucleoside transporters. Elife, 3, 2014
|
|
4UMK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4umk by Molmil](/molmil-images/mine/4umk) | The complex of Spo0J and parS DNA in chromosomal partition system | Descriptor: | DNA, PROBABLE CHROMOSOME-PARTITIONING PROTEIN PARB, SULFATE ION | Authors: | Chen, B.W, Chu, C.H, Tung, J.Y, Hsu, C.E, Hsiao, C.D, Sun, Y.J. | Deposit date: | 2014-05-19 | Release date: | 2015-05-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.096 Å) | Cite: | Insights into ParB spreading from the complex structure of Spo0J and parS. Proc. Natl. Acad. Sci. U.S.A., 112, 2015
|
|
4UOS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4uos by Molmil](/molmil-images/mine/4uos) | Thermodynamic hyperstability in parametrically designed helical bundles | Descriptor: | DESIGNED HELICAL BUNDLE | Authors: | Oberdorfer, G, Huang, P, Pei, X.Y, Xu, C, Gonen, T, Nannenga, B, DiMaio, D, Rogers, J, Luisi, B.F, Baker, D. | Deposit date: | 2014-06-09 | Release date: | 2014-11-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | High Thermodynamic Stability of Parametrically Designed Helical Bundles Science, 346, 2014
|
|
5HWU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hwu by Molmil](/molmil-images/mine/5hwu) | Crystal Structure of DR2231_E46A mutant in complex with dUMPNPP and Manganese | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, DR2231, GLYCEROL, ... | Authors: | Mota, C.S, Goncalves, A.M.D, de Sanctis, D. | Deposit date: | 2016-01-29 | Release date: | 2016-10-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Deinococcus radiodurans DR2231 is a two-metal-ion mechanism hydrolase with exclusive activity on dUTP. FEBS J., 283, 2016
|
|
6QS0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qs0 by Molmil](/molmil-images/mine/6qs0) | |
4PDD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4pdd by Molmil](/molmil-images/mine/4pdd) | CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM POLAROMONAS SP JS666 (Bpro_0088, TARGET EFI-510167) BOUND TO D-ERYTHRONATE | Descriptor: | (2R,3R)-2,3,4-trihydroxybutanoic acid, FORMIC ACID, MALONIC ACID, ... | Authors: | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-04-18 | Release date: | 2014-05-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry, 54, 2015
|
|
6R1V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6r1v by Molmil](/molmil-images/mine/6r1v) | |
4PCE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4pce by Molmil](/molmil-images/mine/4pce) | Crystal Structure of the first bromodomain of human BRD4 in complex with compound B13 | Descriptor: | 1,2-ETHANEDIOL, 1-benzyl-2-ethyl-1,5,6,7-tetrahydro-4H-indol-4-one, Bromodomain-containing protein 4 | Authors: | Dong, J, Caflisch, A. | Deposit date: | 2014-04-15 | Release date: | 2014-05-07 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.293 Å) | Cite: | Discovery of BRD4 bromodomain inhibitors by fragment-based high-throughput docking. Bioorg.Med.Chem.Lett., 24, 2014
|
|