4AZ4
 
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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
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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
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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
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2DHT
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4AT8
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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
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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
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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
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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
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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
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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
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2A1O
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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
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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
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268D
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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
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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
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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
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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
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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
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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
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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
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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
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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
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