1EI1
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![BU of 1ei1 by Molmil](/molmil-images/mine/1ei1) | DIMERIZATION OF E. COLI DNA GYRASE B PROVIDES A STRUCTURAL MECHANISM FOR ACTIVATING THE ATPASE CATALYTIC CENTER | Descriptor: | DNA GYRASE B, GLYCEROL, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Brino, L, Urzhumtsev, A, Oudet, P, Moras, D. | Deposit date: | 2000-02-23 | Release date: | 2000-03-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Dimerization of Escherichia coli DNA-gyrase B provides a structural mechanism for activating the ATPase catalytic center. J.Biol.Chem., 275, 2000
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2NXX
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![BU of 2nxx by Molmil](/molmil-images/mine/2nxx) | Crystal Structure of the Ligand-Binding Domains of the T.castaneum (Coleoptera) Heterodimer EcrUSP Bound to Ponasterone A | Descriptor: | 2,3,14,20,22-PENTAHYDROXYCHOLEST-7-EN-6-ONE, Ecdysone Receptor (EcR, NRH1), ... | Authors: | Iwema, T, Billas, I, Moras, D. | Deposit date: | 2006-11-20 | Release date: | 2007-10-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structural and functional characterization of a novel type of ligand-independent RXR-USP receptor. Embo J., 26, 2007
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6TFO
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![BU of 6tfo by Molmil](/molmil-images/mine/6tfo) | Crystal structure of as isolated three-domain copper-containing nitrite reductase from Hyphomicrobium denitrificans strain 1NES1 | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase | Authors: | Sasaki, D, Watanabe, T.F, Eady, R.R, Garratt, R.C, Antonyuk, S.V, Hasnain, S.S. | Deposit date: | 2019-11-14 | Release date: | 2020-06-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structures of substrate- and product-bound forms of a multi-domain copper nitrite reductase shed light on the role of domain tethering in protein complexes. Iucrj, 7, 2020
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6TS9
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![BU of 6ts9 by Molmil](/molmil-images/mine/6ts9) | Crystal structure of GES-5 carbapenemase | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, Beta-lactamase, ... | Authors: | Maso, L, Tondi, D, Klein, R, Montanari, M, Bellio, C, Celenza, G, Brenk, R, Cendron, L. | Deposit date: | 2019-12-20 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Targeting the Class A Carbapenemase GES-5 via Virtual Screening. Biomolecules, 10, 2020
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4AJG
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![BU of 4ajg by Molmil](/molmil-images/mine/4ajg) | Identification and structural characterization of PDE10 fragment inhibitors | Descriptor: | CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, MAGNESIUM ION, ... | Authors: | Johansson, P, Albert, J.S, Spadola, L, Akerud, T, Back, E, Hillertz, P, Horsefeld, R, Scott, C, Spear, N, Tian, G, Tigerstrom, A, Aharony, D, Geschwindner, S. | Deposit date: | 2012-02-16 | Release date: | 2013-03-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Identification and Structural Characterization of Pde10 Fragment Inhibitors To be Published
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6TG8
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![BU of 6tg8 by Molmil](/molmil-images/mine/6tg8) | Crystal structure of the Kelch domain in complex with 11 amino acid peptide (model of the ETGE loop) | Descriptor: | Kelch-like ECH-associated protein 1, SODIUM ION, VAL-ILE-ASN-PRO-GLU-THR-GLY-GLU-GLN-ILE-GLN | Authors: | Kekez, I, Matic, S, Tomic, S, Matkovic-Calogovic, D. | Deposit date: | 2019-11-15 | Release date: | 2020-09-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Binding of dipeptidyl peptidase III to the oxidative stress cell sensor Kelch-like ECH-associated protein 1 is a two-step process. J.Biomol.Struct.Dyn., 39, 2021
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1EGH
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![BU of 1egh by Molmil](/molmil-images/mine/1egh) | |
409D
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![BU of 409d by Molmil](/molmil-images/mine/409d) | CRYSTAL STRUCTURE OF AN RNA R(CCCIUGGG) WITH THREE INDEPENDENT DUPLEXES INCORPORATING TANDEM I.U WOBBLES | Descriptor: | RNA (5'-R(*CP*CP*CP*IP*UP*GP*GP*G)-3') | Authors: | Pan, B, Mitra, S.N, Sun, L, Hart, D, Sundaralingam, M. | Deposit date: | 1998-06-26 | Release date: | 1999-01-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of an RNA octamer duplex r(CCCIUGGG)2 incorporating tandem I.U wobbles. Nucleic Acids Res., 26, 1998
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1EKZ
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![BU of 1ekz by Molmil](/molmil-images/mine/1ekz) | NMR STRUCTURE OF THE COMPLEX BETWEEN THE THIRD DSRBD FROM DROSOPHILA STAUFEN AND A RNA HAIRPIN | Descriptor: | MATERNAL EFFECT PROTEIN (STAUFEN), STAUFEN DOUBLE-STRANDED RNA BINDING DOMAIN | Authors: | Ramos, A, Grunert, S, Bycroft, M, St Johnston, D, Varani, G. | Deposit date: | 2000-03-11 | Release date: | 2000-08-21 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | RNA recognition by a Staufen double-stranded RNA-binding domain. EMBO J., 19, 2000
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423D
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![BU of 423d by Molmil](/molmil-images/mine/423d) | 5'-D(*AP*CP*CP*GP*AP*CP*GP*TP*CP*GP*GP*T)-3' | Descriptor: | DNA (5'-D(*AP*CP*CP*GP*AP*CP*GP*TP*CP*GP*GP*T)-3'), MAGNESIUM ION | Authors: | Rozenberg, H, Rabinovich, D, Frolow, F, Hegde, R.S, Shakked, Z. | Deposit date: | 1998-09-14 | Release date: | 1999-10-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural code for DNA recognition revealed in crystal structures of papillomavirus E2-DNA targets. Proc.Natl.Acad.Sci.USA, 95, 1998
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3JCH
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6T2W
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![BU of 6t2w by Molmil](/molmil-images/mine/6t2w) | Crystal structure of the CSF1R kinase domain with a dihydropurinone inhibitor (compound 4) | Descriptor: | 2-[(4-methoxy-2-methyl-phenyl)amino]-7-methyl-9-(4-oxidanylcyclohexyl)purin-8-one, Macrophage colony-stimulating factor 1 receptor, SULFATE ION | Authors: | Schimpl, M, Goldberg, F.W, Finlay, M.R.V, Ting, A.K.T, Beattie, D, Lamont, G.M, Fallan, C, Wrigley, G.L, Howard, M.R, Williamson, B, Davies, B.R, Cadogan, E.B, Ramos-Montoya, A, Dean, E. | Deposit date: | 2019-10-09 | Release date: | 2020-01-01 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Discovery of 7-Methyl-2-[(7-methyl[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(tetrahydro-2H-pyran-4-yl)-7,9-dihydro-8H-purin-8-one (AZD7648), a Potent and Selective DNA-Dependent Protein Kinase (DNA-PK) Inhibitor. J.Med.Chem., 63, 2020
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4K49
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![BU of 4k49 by Molmil](/molmil-images/mine/4k49) | X-ray crystal structure of E. coli YdiI complexed with 2,4-dihydroxyphenacyl CoA | Descriptor: | 2,4-dihydroxyphenacyl coenzyme A, Esterase YdiI | Authors: | Ru, W, Farelli, J.D, Dunaway-Mariano, D, Allen, K.N. | Deposit date: | 2013-04-12 | Release date: | 2014-07-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structure and Catalysis in the Escherichia coli Hotdog-fold Thioesterase Paralogs YdiI and YbdB. Biochemistry, 53, 2014
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3D3A
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![BU of 3d3a by Molmil](/molmil-images/mine/3d3a) | |
4AAQ
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![BU of 4aaq by Molmil](/molmil-images/mine/4aaq) | ATP-triggered molecular mechanics of the chaperonin GroEL | Descriptor: | 60 KDA CHAPERONIN, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Clare, D.K, Vasishtan, D, Stagg, S, Quispe, J, Farr, G.W, Topf, M, Horwich, A.L, Saibil, H.R. | Deposit date: | 2011-12-05 | Release date: | 2012-12-12 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (8 Å) | Cite: | ATP-Triggered Conformational Changes Delineate Substrate-Binding and -Folding Mechanics of the Groel Chaperonin. Cell(Cambridge,Mass.), 149, 2012
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4A9Z
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![BU of 4a9z by Molmil](/molmil-images/mine/4a9z) | CRYSTAL STRUCTURE OF HUMAN P63 TETRAMERIZATION DOMAIN | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, TUMOR PROTEIN 63 | Authors: | Muniz, J.R.C, Coutandin, D, Salah, E, Chaikuad, A, Vollmar, M, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Dotsch, V, von Delft, F, Knapp, S. | Deposit date: | 2011-11-30 | Release date: | 2011-12-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Crystal Structure of Human P63 Tetramerization Domain To be Published
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1EKB
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![BU of 1ekb by Molmil](/molmil-images/mine/1ekb) | THE SERINE PROTEASE DOMAIN OF ENTEROPEPTIDASE BOUND TO INHIBITOR VAL-ASP-ASP-ASP-ASP-LYS-CHLOROMETHANE | Descriptor: | ENTEROPEPTIDASE, VAL-ASP-ASP-ASP-ASP-LYK PEPTIDE, ZINC ION | Authors: | Fuetterer, K, Lu, D, Sadler, J.E, Waksman, G. | Deposit date: | 1999-05-02 | Release date: | 1999-10-14 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of enteropeptidase light chain complexed with an analog of the trypsinogen activation peptide. J.Mol.Biol., 292, 1999
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4A93
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![BU of 4a93 by Molmil](/molmil-images/mine/4a93) | RNA Polymerase II elongation complex containing a CPD Lesion | Descriptor: | 5'-D(*AP*GP*CP*TP*CP*AP*AP*GP*TP*AP*CP*T*TTP*TP*TP*CP*C BRUP*GP*GP*TP*CP*AP*TP*T)-3', 5'-D(*TP*AP*AP*GP*TP*AP*CP*TP*TP*GP*AP*GP*CP*TP)-3', 5'-R(*UP*UP*CP*GP*AP*CP*CP*AP*GP*GP*AP*AP)-3', ... | Authors: | Walmacq, C, Cheung, A.C.M, Kireeva, M.L, Lubkowska, L, Ye, C, Gotte, D, Strathern, J.N, Carell, T, Cramer, P, Kashlev, M. | Deposit date: | 2011-11-23 | Release date: | 2012-03-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Mechanism of Translesion Transcription by RNA Polymerase II and its Role in Cellular Resistance to DNA Damage. Mol.Cell, 46, 2012
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2OU7
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![BU of 2ou7 by Molmil](/molmil-images/mine/2ou7) | Structure of the Catalytic Domain of Human Polo-like Kinase 1 | Descriptor: | ACETATE ION, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Ding, Y.-H, Kothe, M, Kohls, D, Low, S. | Deposit date: | 2007-02-09 | Release date: | 2007-04-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of the catalytic domain of human polo-like kinase 1. Biochemistry, 46, 2007
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1ELC
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![BU of 1elc by Molmil](/molmil-images/mine/1elc) | Analogous inhibitors of elastase do not always bind analogously | Descriptor: | 6-ammonio-N-(trifluoroacetyl)-L-norleucyl-N-[4-(1-methylethyl)phenyl]-L-phenylalaninamide, CALCIUM ION, ELASTASE | Authors: | Mattos, C, Rasmussen, B, Ding, X, Petsko, G.A, Ringe, D. | Deposit date: | 1993-12-07 | Release date: | 1994-04-30 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Analogous inhibitors of elastase do not always bind analogously. Nat.Struct.Biol., 1, 1994
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1E4W
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![BU of 1e4w by Molmil](/molmil-images/mine/1e4w) | crossreactive binding of a circularized peptide to an anti-TGFalpha antibody Fab-fragment | Descriptor: | CHLORIDE ION, CYCLIC PEPTIDE, NICKEL (II) ION, ... | Authors: | Hahn, M, Winkler, D, Misselwitz, R, Wessner, H, Welfle, K, Zahn, G, Schneider-Mergener, J, Hoehne, W. | Deposit date: | 2000-07-12 | Release date: | 2001-07-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Cross-Reactive Binding of Cyclic Peptides to an Anti-Tgf Alpha Antibody Fab Fragment: An X-Ray Structural and Thermodynamic Analysis J.Mol.Biol., 314, 2001
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1E6R
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![BU of 1e6r by Molmil](/molmil-images/mine/1e6r) | Chitinase B from Serratia marcescens wildtype in complex with inhibitor allosamidin | Descriptor: | 2-acetamido-2-deoxy-beta-D-allopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-allopyranose, ALLOSAMIZOLINE, CHITINASE B, ... | Authors: | Komander, D, Synstad, B, Eijsink, V.G.H, Van Aalten, D.M.F. | Deposit date: | 2000-08-22 | Release date: | 2001-06-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Insights Into the Catalytic Mechanism of a Family 18 Exo-Chitinase Proc.Natl.Acad.Sci.USA, 98, 2001
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4AOJ
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![BU of 4aoj by Molmil](/molmil-images/mine/4aoj) | Human TrkA in complex with the inhibitor AZ-23 | Descriptor: | 5-chloranyl-N2-[(1S)-1-(5-fluoranylpyridin-2-yl)ethyl]-N4-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine, HIGH AFFINITY NERVE GROWTH FACTOR RECEPTOR, ZINC ION | Authors: | Wang, T, Lamb, M.L, Block, M.H, Davies, A.M, Han, Y, Hoffmann, E, Ioannidis, S, Josey, J.A, Liu, Z, Lyne, P.D, MacIntyre, T, Mohr, P.J, Omer, C.A, Sjogren, T, Thress, K, Wang, B, Wang, H, Yu, D, Zhang, H. | Deposit date: | 2012-03-28 | Release date: | 2012-08-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Discovery of Disubstituted Imidazo[4,5-B]Pyridines and Purines as Potent Trka Inhibitors Acs Med.Chem.Lett., 3, 2012
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3JRE
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1ERA
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![BU of 1era by Molmil](/molmil-images/mine/1era) | |