4AZ4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4az4 by Molmil](/molmil-images/mine/4az4) | |
5V31
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5v31 by Molmil](/molmil-images/mine/5v31) | Ethylene forming enzyme in complex with manganese and L-arginine | Descriptor: | 2-oxoglutarate-dependent ethylene/succinate-forming enzyme, ARGININE, MANGANESE (II) ION | Authors: | Fellner, M, Martinez, S, Hu, J, Hausinger, R.P. | Deposit date: | 2017-03-06 | Release date: | 2017-08-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structures and Mechanisms of the Non-Heme Fe(II)- and 2-Oxoglutarate-Dependent Ethylene-Forming Enzyme: Substrate Binding Creates a Twist. J. Am. Chem. Soc., 139, 2017
|
|
4BDF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bdf by Molmil](/molmil-images/mine/4bdf) | Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase 2 (CHK2) | Descriptor: | 1,2-ETHANEDIOL, 5-METHYL-3-PHENYL-1H-PYRAZOLE, NITRATE ION, ... | Authors: | Silva-Santisteban, M.C, Westwood, I.M, Boxall, K, Brown, N, Peacock, S, McAndrew, C, Barrie, E, Richards, M, Mirza, A, Oliver, A.W, Burke, R, Hoelder, S, Jones, K, Aherne, G.W, Blagg, J, Collins, I, Garrett, M.D, van Montfort, R.L.M. | Deposit date: | 2012-10-05 | Release date: | 2013-06-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2. Plos One, 8, 2013
|
|
4ARH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4arh by Molmil](/molmil-images/mine/4arh) | X ray structure of the periplasmic zinc binding protein ZinT from Salmonella enterica | Descriptor: | METAL-BINDING PROTEIN YODA, SULFATE ION | Authors: | Alaleona, F, Ilari, A, Battistoni, A, Petrarca, P, Chiancone, E. | Deposit date: | 2012-04-24 | Release date: | 2013-05-08 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Salmonella Enterica Zint Structure, Zinc Affinity and Interaction with the High-Affinity Uptake Protein Znua Provide Insight Into the Management of Periplasmic Zinc. Biochim.Biophys.Acta, 1840, 2014
|
|
2DHT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2dht by Molmil](/molmil-images/mine/2dht) | |
4AT8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4at8 by Molmil](/molmil-images/mine/4at8) | |
2DJG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2djg by Molmil](/molmil-images/mine/2djg) | Re-determination of the native structure of human dipeptidyl peptidase I (cathepsin C) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Dipeptidyl-peptidase 1, ... | Authors: | Molgaard, A, Arnau, J, Lauritzen, C, Larsen, S, Petersen, G, Pedersen, J. | Deposit date: | 2006-04-02 | Release date: | 2006-11-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The crystal structure of human dipeptidyl peptidase I (cathepsin C) in complex with the inhibitor Gly-Phe-CHN2 Biochem.J., 401, 2007
|
|
4ASL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4asl by Molmil](/molmil-images/mine/4asl) | Structure of Epa1A in complex with the T-antigen (Gal-b1-3- GalNAc) | Descriptor: | CALCIUM ION, EPA1P, GLYCEROL, ... | Authors: | Maestre-Reyna, M, Diderrich, R, Veelders, M.S, Eulenburg, G, Kalugin, V, Brueckner, S, Keller, P, Rupp, S, Moesch, H.-U, Essen, L.-O. | Deposit date: | 2012-05-02 | Release date: | 2012-10-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Structural Basis for Promiscuity and Specificity During Candida Glabrata Invasion of Host Epithelia. Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
5VC1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vc1 by Molmil](/molmil-images/mine/5vc1) | Crystal structure of L-selectin lectin/EGF domains | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Wedepohl, S, Dernedde, J, Vahedi-Faridi, A, Tauber, R, Saenger, W, Bulut, H. | Deposit date: | 2017-03-30 | Release date: | 2017-06-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Reducing Macro- and Microheterogeneity of N-Glycans Enables the Crystal Structure of the Lectin and EGF-Like Domains of Human L-Selectin To Be Solved at 1.9 angstrom Resolution. Chembiochem, 18, 2017
|
|
2DKA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2dka by Molmil](/molmil-images/mine/2dka) | Crystal structure of N-acetylglucosamine-phosphate mutase, a member of the alpha-D-phosphohexomutase superfamily, in the apo-form | Descriptor: | Phosphoacetylglucosamine mutase | Authors: | Nishitani, Y, Maruyama, D, Nonaka, T, Kita, A, Fukami, T.A, Mio, T, Yamada-Okabe, H, Yamada-Okabe, T, Miki, K. | Deposit date: | 2006-04-07 | Release date: | 2006-05-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Crystal Structures of N-Acetylglucosamine-phosphate Mutase, a Member of the {alpha}-D-Phosphohexomutase Superfamily, and Its Substrate and Product Complexes. J.Biol.Chem., 281, 2006
|
|
4AY8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ay8 by Molmil](/molmil-images/mine/4ay8) | SeMet-derivative of a methyltransferase from M. mazei | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 1-THIOETHANESULFONIC ACID, GLYCEROL, ... | Authors: | Hoeppner, A, Thomas, F, Rueppel, A, Hensel, R, Blankenfeldt, W, Bayer, P, Faust, A. | Deposit date: | 2012-06-18 | Release date: | 2012-10-31 | Last modified: | 2014-11-05 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of the Corrinoid:Coenzyme M Methyltransferase Mtaa from Methanosarcina Mazei Acta Crystallogr.,Sect.D, 68, 2012
|
|
5V9T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5v9t by Molmil](/molmil-images/mine/5v9t) | Crystal structure of selective pyrrolidine amide KDM5a inhibitor N-{(3R)-1-[3-(propan-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide (compound 48) | Descriptor: | Lysine-specific demethylase 5A, N-{(3R)-1-[3-(propan-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide, NICKEL (II) ION, ... | Authors: | Kiefer, J.R, Liang, J, Vinogradova, M. | Deposit date: | 2017-03-23 | Release date: | 2017-05-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | From a novel HTS hit to potent, selective, and orally bioavailable KDM5 inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
|
|
2A1O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2a1o by Molmil](/molmil-images/mine/2a1o) | |
5VC7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vc7 by Molmil](/molmil-images/mine/5vc7) | VCP like ATPase from T. acidophilum (VAT) - conformation 1 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, VCP-like ATPase | Authors: | Ripstein, Z.A, Huang, R, Augustyniak, R, Kay, L.E, Rubinstein, J.L. | Deposit date: | 2017-03-31 | Release date: | 2017-04-26 | Last modified: | 2020-01-15 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structure of a AAA+ unfoldase in the process of unfolding substrate. Elife, 6, 2017
|
|
2DPR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2dpr by Molmil](/molmil-images/mine/2dpr) | The crystal structures of the calcium-bound con-G and con-T(K7Glu) dimeric peptides demonstrate a novel metal-dependent helix-forming motif | Descriptor: | CALCIUM ION, Conantokin-T | Authors: | Cnudde, S.E, Prorok, M, Dai, Q, Castellino, F.J, Geiger, J.H. | Deposit date: | 2006-05-13 | Release date: | 2007-04-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The crystal structures of the calcium-bound con-G and con-T[K7gamma] dimeric peptides demonstrate a metal-dependent helix-forming motif J.Am.Chem.Soc., 129, 2007
|
|
268D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 268d by Molmil](/molmil-images/mine/268d) | |
292D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 292d by Molmil](/molmil-images/mine/292d) | INTERACTION BETWEEN THE LEFT-HANDED Z-DNA AND POLYAMINE:THE CRYSTAL STRUCTURE OF THE D(CG)3 AND N-(2-AMINOETHYL)-1,4-DIAMINOBUTANE COMPLEX | Descriptor: | 1-(AMINOETHYL)AMINO-4-AMINOBUTANE, DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), MAGNESIUM ION, ... | Authors: | Ohishi, H, Kunisawa, S, Van Der Marel, G, Van Boom, J.H, Rich, A, Wang, A.H.-J, Tomita, K, Hakoshima, T. | Deposit date: | 1991-10-09 | Release date: | 1996-12-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Interaction between the left-handed Z-DNA and polyamine. The crystal structure of the d(CG)3 and N-(2-aminoethyl)-1,4-diamino-butane complex. FEBS Lett., 284, 1991
|
|
2A08
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2a08 by Molmil](/molmil-images/mine/2a08) | Structure of the yeast YHH6 SH3 domain | Descriptor: | Hypothetical 41.8 kDa protein in SPO13-ARG4 intergenic region | Authors: | Kursula, P, Kursula, I, Song, Y.H, Lehmann, F, Zou, P, Wilmanns, M. | Deposit date: | 2005-06-16 | Release date: | 2006-06-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | 3-D proteome of yeast SH3 domains To be Published
|
|
4B95
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4b95 by Molmil](/molmil-images/mine/4b95) | pVHL-EloB-EloB-EloC complex_(2S,4R)-1-(2-chlorophenyl)carbonyl-N-[(4-chlorophenyl)methyl]-4-oxidanyl-pyrrolidine-2-carboxamide bound | Descriptor: | (2S,4R)-1-(2-chlorophenyl)carbonyl-N-[(4-chlorophenyl)methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, ACETATE ION, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 1, ... | Authors: | Buckley, D.L, Gustafson, J.L, VanMolle, I, Roth, A.G, SeopTae, H, Gareiss, P.C, Jorgensen, W.L, Ciulli, A, Crews, C.M. | Deposit date: | 2012-08-31 | Release date: | 2012-10-24 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Small-Molecule Inhibitors of the Interaction between the E3 Ligase Vhl and Hif1Alpha Angew.Chem.Int.Ed.Engl., 51, 2012
|
|
1Z37
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1z37 by Molmil](/molmil-images/mine/1z37) | Crystal structure of Trichomonas vaginalis purine nucleoside phosphorylase complexed with adenosine | Descriptor: | ADENOSINE, purine nucleoside phosphorylase | Authors: | Zhang, Y, Wang, W.H, Wu, S.W, Wang, C.C, Ealick, S.E. | Deposit date: | 2005-03-10 | Release date: | 2005-03-29 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Identification of a subversive substrate of Trichomonas vaginalis purine nucleoside phosphorylase and the crystal structure of the enzyme-substrate complex. J.Biol.Chem., 280, 2005
|
|
2DL0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2dl0 by Molmil](/molmil-images/mine/2dl0) | Solution structure of the SAM-domain of the SAM and SH3 domain containing protein 1 | Descriptor: | SAM and SH3 domain-containing protein 1 | Authors: | Goroncy, A.K, Sato, M, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2006-04-14 | Release date: | 2006-10-14 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of the SAM-domain of the SAM and SH3 domain containing protein 1 To be Published
|
|
4B72
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4b72 by Molmil](/molmil-images/mine/4b72) | Aminoimidazoles as BACE-1 Inhibitors: From De Novo Design to Ab- lowering in Brain | Descriptor: | (6R)-6-(4-methoxyphenyl)-2-methyl-6-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-d][1,3]thiazol-4-amine, BETA-SECRETASE 1 | Authors: | Gravenfors, Y, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, Berg, S, Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Rahm, F. | Deposit date: | 2012-08-16 | Release date: | 2013-06-26 | Last modified: | 2013-07-03 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Core Refinement Toward Permeable Beta-Secretase (Bace-1) Inhibitors with Low Herg Activity. J.Med.Chem., 56, 2013
|
|
4B4O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4b4o by Molmil](/molmil-images/mine/4b4o) | Crystal Structure of human epimerase family protein SDR39U1 (isoform2) with NADPH | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, EPIMERASE FAMILY PROTEIN SDR39U1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Vollmar, M, Muniz, J.R.C, Shafqat, N, Picaud, S, Krojer, T, Chaikuad, A, Pike, A.C.W, Yue, W.W, Filippakopoulos, P, Kavanagh, K.L, von Delft, F, Weigelt, J, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U. | Deposit date: | 2012-07-31 | Release date: | 2012-08-29 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal Structure of Human Epimerase Family Protein Sdr39U1 (Isoform2) with Nadph To be Published
|
|
1Z8A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1z8a by Molmil](/molmil-images/mine/1z8a) | Human Aldose Reductase complexed with novel Sulfonyl-pyridazinone Inhibitor | Descriptor: | 6-[(5-CHLORO-3-METHYL-1-BENZOFURAN-2-YL)SULFONYL]PYRIDAZIN-3(2H)-ONE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, aldose reductase | Authors: | Steuber, H, Zentgraf, M, Podjarny, A, Heine, A, Klebe, G. | Deposit date: | 2005-03-30 | Release date: | 2006-03-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | High-resolution crystal structure of aldose reductase complexed with the novel sulfonyl-pyridazinone inhibitor exhibiting an alternative active site anchoring group. J.Mol.Biol., 356, 2006
|
|
4BB9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bb9 by Molmil](/molmil-images/mine/4bb9) | Crystal structure of glucokinase regulatory protein complexed to fructose-1-phosphate | Descriptor: | 1-O-phosphono-beta-D-fructopyranose, CALCIUM ION, GLUCOKINASE REGULATORY PROTEIN | Authors: | Pautsch, A, Stadler, N, Loehle, A, Lenter, M, Rist, W, Berg, A, Glocker, L, Nar, H, Reinert, D, Heckel, A, Schnapp, G, Kauschke, S.G. | Deposit date: | 2012-09-21 | Release date: | 2013-05-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Crystal Structure of Glucokinase Regulatory Protein. Biochemistry, 52, 2013
|
|