4LBS
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![BU of 4lbs by Molmil](/molmil-images/mine/4lbs) | Crystal structure of human AR complexed with NADP+ and {2-[(4-bromo-2,6-difluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2-[(4-bromo-2,6-difluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid | Authors: | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A. | Deposit date: | 2013-06-21 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (0.76 Å) | Cite: | Modulation of aldose reductase inhibition by halogen bond tuning. Acs Chem.Biol., 8, 2013
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6QA2
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![BU of 6qa2 by Molmil](/molmil-images/mine/6qa2) | R80A MUTANT OF NUCLEOSIDE DIPHOSPHATE KINASE FROM MYCOBACTERIUM TUBERCULOSIS | Descriptor: | Nucleoside diphosphate kinase, SULFATE ION, TRIS(HYDROXYETHYL)AMINOMETHANE | Authors: | Dautant, A, Henri, J, Wales, T.E, Meyer, P, Engen, J.R, Georgescauld, F. | Deposit date: | 2018-12-18 | Release date: | 2019-02-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Remodeling of the Binding Site of Nucleoside Diphosphate Kinase Revealed by X-ray Structure and H/D Exchange. Biochemistry, 58, 2019
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5HBH
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![BU of 5hbh by Molmil](/molmil-images/mine/5hbh) | CDK8-CYCC IN COMPLEX WITH 5-{5-Chloro-4-[1-(2-methoxy-ethyl)-1,8-diaza-spiro[4.5]dec-8-yl]-pyridin-3-yl}-1-methyl-1,3-dihydro-benzo[c]isothiazole 2,2-dioxide | Descriptor: | 1,2-ETHANEDIOL, 5-[5-chloranyl-4-[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]pyridin-3-yl]-1-methyl-3~{H}-2,1-benzothiazole 2,2-dioxide, Cyclin-C, ... | Authors: | Musil, D, Blagg, J, Mallinger, A. | Deposit date: | 2015-12-31 | Release date: | 2016-02-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of Potent, Selective, and Orally Bioavailable Small-Molecule Modulators of the Mediator Complex-Associated Kinases CDK8 and CDK19. J.Med.Chem., 59, 2016
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3KEI
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5DJY
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![BU of 5djy by Molmil](/molmil-images/mine/5djy) | Fc Heterodimer Design 20.8 Y349S/T366V/K370Y/K409V + E357D/S364Q/Y407A | Descriptor: | Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B. | Deposit date: | 2015-09-02 | Release date: | 2016-03-30 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Computationally Designed Bispecific Antibodies using Negative State Repertoires. Structure, 24, 2016
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5H5Q
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![BU of 5h5q by Molmil](/molmil-images/mine/5h5q) | Crystal structure of human GPX4 in complex with GXpep-1 | Descriptor: | GLYCEROL, GXpep-1, Phospholipid hydroperoxide glutathione peroxidase, ... | Authors: | Sogabe, S, Kadotani, A, Lane, W, Snell, G. | Deposit date: | 2016-11-09 | Release date: | 2016-12-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Discovery of GPX4 inhibitory peptides from random peptide T7 phage display and subsequent structural analysis Biochem. Biophys. Res. Commun., 482, 2017
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5E8R
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![BU of 5e8r by Molmil](/molmil-images/mine/5e8r) | Human HMT1 hnRNP methyltransferase-like protein 6 (S. cerevisiae) | Descriptor: | CHLORIDE ION, N-methyl-N-({4-[4-(propan-2-yloxy)phenyl]-1H-pyrrol-3-yl}methyl)ethane-1,2-diamine, Protein arginine N-methyltransferase 6, ... | Authors: | DONG, A, ZENG, H, LIU, J, TEMPEL, W, Seitova, A, Hutchinson, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, JIN, J, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | Deposit date: | 2015-10-14 | Release date: | 2015-12-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | A Potent, Selective, and Cell-Active Inhibitor of Human Type I Protein Arginine Methyltransferases. Acs Chem.Biol., 11, 2016
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4INL
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![BU of 4inl by Molmil](/molmil-images/mine/4inl) | Crystal structure of SplD protease from Staphylococcus aureus at 2.1 A resolution | Descriptor: | Serine protease SplD | Authors: | Cichon, P, Zdzalik, M, Kalinska, M, Wysocka, M, Stec-Niemczyk, J, Stennicke, H.R, Jabaiah, A, Markiewicz, M, Wladyka, B, Daugherty, P.S, Lesner, A, Rolka, K, Dubin, A, Potempa, J, Dubin, G. | Deposit date: | 2013-01-04 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Biochemical and Structural Characterization of SplD Protease from Staphylococcus aureus. Plos One, 8, 2013
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5HBE
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![BU of 5hbe by Molmil](/molmil-images/mine/5hbe) | CDK8-CYCC IN COMPLEX WITH 8-[3-Chloro-5-(1-methyl-2,2-dioxo-2, 3-dihydro-1H-2l6-benzo[c]isothiazol-5-yl)-pyridin- 4-yl]-1-oxa-3,8-diaza-spiro[4.5]decan-2-one | Descriptor: | 1,2-ETHANEDIOL, 8-[3-chloranyl-5-[1-methyl-2,2-bis(oxidanylidene)-3~{H}-2,1-benzothiazol-5-yl]pyridin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one, Cyclin-C, ... | Authors: | Musil, D, Blagg, J, Mallinger, A. | Deposit date: | 2015-12-31 | Release date: | 2016-02-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Discovery of Potent, Selective, and Orally Bioavailable Small-Molecule Modulators of the Mediator Complex-Associated Kinases CDK8 and CDK19. J.Med.Chem., 59, 2016
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5H5K
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![BU of 5h5k by Molmil](/molmil-images/mine/5h5k) | ATP and CMP bound Crystal structure of thymidylate kinase (aq_969) from Aquifex Aeolicus VF5 | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CYTIDINE-5'-MONOPHOSPHATE, ... | Authors: | Biswas, A, Jeyakanthan, J, Sekar, K. | Deposit date: | 2016-11-06 | Release date: | 2017-06-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural studies of a hyperthermophilic thymidylate kinase enzyme reveal conformational substates along the reaction coordinate FEBS J., 284, 2017
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5MNE
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5MNN
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![BU of 5mnn by Molmil](/molmil-images/mine/5mnn) | Cationic trypsin in complex with N-amidinopiperidine (deuterated sample at 100 K) | Descriptor: | CALCIUM ION, Cationic trypsin, SULFATE ION, ... | Authors: | Schiebel, J, Heine, A, Klebe, G. | Deposit date: | 2016-12-13 | Release date: | 2018-01-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (0.859 Å) | Cite: | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes. Nat Commun, 9, 2018
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3KES
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![BU of 3kes by Molmil](/molmil-images/mine/3kes) | Crystal structure of the autoproteolytic domain from the nuclear pore complex component NUP145 from Saccharomyces cerevisiae in the Hexagonal, P61 space group | Descriptor: | 1,2-ETHANEDIOL, Nucleoporin NUP145 | Authors: | Sampathkumar, P, Ozyurt, S.A, Do, J, Bain, K, Dickey, M, Gheyi, T, Sali, A, Kim, S.J, Phillips, J, Pieper, U, Fernandez-Martinez, J, Franke, J.D, Atwell, S, Thompson, D.A, Emtage, J.S, Wasserman, S, Rout, M, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2009-10-26 | Release date: | 2009-12-22 | Last modified: | 2021-02-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structures of the autoproteolytic domain from the Saccharomyces cerevisiae nuclear pore complex component, Nup145. Proteins, 78, 2010
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5EEA
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![BU of 5eea by Molmil](/molmil-images/mine/5eea) | Structure of HOXB13-DNA(CAA) complex | Descriptor: | DNA (5'-D(P*GP*GP*AP*CP*CP*CP*AP*AP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*GP*TP*TP*TP*TP*AP*TP*TP*GP*GP*GP*TP*CP*C)-3'), Homeobox protein Hox-B13 | Authors: | Morgunova, E, Yin, Y, Jolma, A, Popov, A, Taipale, J. | Deposit date: | 2015-10-22 | Release date: | 2016-10-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.195 Å) | Cite: | Two distinct DNA sequences recognized by transcription factors represent enthalpy and entropy optima. Elife, 7, 2018
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8QZN
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![BU of 8qzn by Molmil](/molmil-images/mine/8qzn) | DARPin-Armadillo fusion protein with a selected Tyrosin pocket binding to the fused target peptide | Descriptor: | 1,2-ETHANEDIOL, DARPin-Armadillo fusion protein with Tyrosin pocket and linked target peptide, SULFATE ION | Authors: | Stark, Y, Menard, F, Jeliazkov, J, Ernst, P, Chembath, A, Ashraf, M, Hine, A, Plueckthun, A. | Deposit date: | 2023-10-27 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Modular binder technology by NGS-aided, high-resolution selection in yeast of designed armadillo modules. Proc.Natl.Acad.Sci.USA, 121, 2024
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8GHD
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![BU of 8ghd by Molmil](/molmil-images/mine/8ghd) | The structure of h12-LOX in hexameric form bound to inhibitor ML355 and arachidonic acid | Descriptor: | ARACHIDONIC ACID, FE (II) ION, N-(1,3-benzothiazol-2-yl)-4-{[(2-hydroxy-3-methoxyphenyl)methyl]amino}benzene-1-sulfonamide, ... | Authors: | Black, K.A, Mobbs, J.I, Venugopal, H, Thal, D.M, Glukhova, A. | Deposit date: | 2023-03-09 | Release date: | 2023-08-09 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (2.2 Å) | Cite: | Cryo-EM structures of human arachidonate 12S-lipoxygenase bound to endogenous and exogenous inhibitors. Blood, 142, 2023
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8A6E
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![BU of 8a6e by Molmil](/molmil-images/mine/8a6e) | 100 picosecond light activated crystal structure of bovine rhodopsin in Lipidic Cubic Phase (SACLA) | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gruhl, T, Weinert, T, Rodrigues, M.J, Milne, C.J, Ortolani, G, Nass, K, Nango, E, Sen, S, Johnson, P.J.M, Cirelli, C, Furrer, A, Mous, S, Skopintsev, P, James, D, Dworkowski, F, Baath, P, Kekilli, D, Oserov, D, Tanaka, R, Glover, H, Bacellar, C, Bruenle, S, Casadei, C.M, Diethelm, A.D, Gashi, D, Gotthard, G, Guixa-Gonzalez, R, Joti, Y, Kabanova, V, Knopp, G, Lesca, E, Ma, P, Martiel, I, Muehle, J, Owada, S, Pamula, F, Sarabi, D, Tejero, O, Tsai, C.J, Varma, N, Wach, A, Boutet, S, Tono, K, Nogly, P, Deupi, X, Iwata, S, Neutze, R, Standfuss, J, Schertler, G.F.X, Panneels, V. | Deposit date: | 2022-06-17 | Release date: | 2023-03-29 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Ultrafast structural changes direct the first molecular events of vision. Nature, 615, 2023
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4LLD
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![BU of 4lld by Molmil](/molmil-images/mine/4lld) | Structure of wild-type IgG1 antibody heavy chain constant domain 1 and light chain lambda constant domain (IgG1 CH1:Clambda) at 1.19A | Descriptor: | Ig gamma-1 chain C region, Ig lambda-2 chain C region | Authors: | Pustilnik, A, Lewis, S.M, Wu, X, Sereno, A, Huang, F, Guntas, G, Leaver-Fay, A, Smith, E.M, Ho, C, Hansen-Estruch, C, Chamberlain, A.K, Truhlar, S.M, Kuhlman, B, Demarest, S.J, Atwell, S. | Deposit date: | 2013-07-09 | Release date: | 2014-01-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Generation of bispecific IgG antibodies by structure-based design of an orthogonal Fab interface. Nat.Biotechnol., 32, 2014
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5NB7
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![BU of 5nb7 by Molmil](/molmil-images/mine/5nb7) | Complement factor D | Descriptor: | 1-[2-[(1~{R},3~{S},5~{R})-3-[(6-bromanylpyridin-2-yl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxidanylidene-ethyl]indazole-3-carboxamide, Complement factor D, DIMETHYL SULFOXIDE | Authors: | Mac Sweeney, A, Ostermann, N. | Deposit date: | 2017-03-01 | Release date: | 2017-06-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Discovery of Highly Potent and Selective Small-Molecule Reversible Factor D Inhibitors Demonstrating Alternative Complement Pathway Inhibition in Vivo. J. Med. Chem., 60, 2017
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8GHC
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![BU of 8ghc by Molmil](/molmil-images/mine/8ghc) | The structure of h12-LOX in dimeric form | Descriptor: | FE (II) ION, Polyunsaturated fatty acid lipoxygenase ALOX12 | Authors: | Black, K.A, Mobbs, J.I, Venugopal, H, Thal, D.M, Glukhova, A. | Deposit date: | 2023-03-09 | Release date: | 2023-08-09 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | Cryo-EM structures of human arachidonate 12S-lipoxygenase bound to endogenous and exogenous inhibitors. Blood, 142, 2023
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8GSS
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![BU of 8gss by Molmil](/molmil-images/mine/8gss) | Human glutathione S-transferase P1-1, complex with glutathione | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE, GLUTATHIONE S-TRANSFERASE P1-1, ... | Authors: | Oakley, A, Parker, M. | Deposit date: | 1997-08-14 | Release date: | 1998-09-16 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The structures of human glutathione transferase P1-1 in complex with glutathione and various inhibitors at high resolution. J.Mol.Biol., 274, 1997
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6ZOJ
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![BU of 6zoj by Molmil](/molmil-images/mine/6zoj) | SARS-CoV-2-Nsp1-40S complex, composite map | Descriptor: | 18S ribosomal RNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ... | Authors: | Schubert, K, Karousis, E.D, Jomaa, A, Scaiola, A, Echeverria, B, Gurzeler, L.-A, Leibundgut, M.L, Thiel, V, Muehlemann, O, Ban, N. | Deposit date: | 2020-07-07 | Release date: | 2020-07-22 | Last modified: | 2021-02-10 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | SARS-CoV-2 Nsp1 binds the ribosomal mRNA channel to inhibit translation. Nat.Struct.Mol.Biol., 27, 2020
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6ZOL
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![BU of 6zol by Molmil](/molmil-images/mine/6zol) | SARS-CoV-2-Nsp1-40S complex, focused on head | Descriptor: | 18S ribosomal RNA, 40S ribosomal protein S10, 40S ribosomal protein S12, ... | Authors: | Schubert, K, Karousis, E.D, Jomaa, A, Scaiola, A, Echeverria, B, Gurzeler, L.-A, Leibundgut, M.L, Thiel, V, Muehlemann, O, Ban, N. | Deposit date: | 2020-07-07 | Release date: | 2020-07-22 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | SARS-CoV-2 Nsp1 binds the ribosomal mRNA channel to inhibit translation. Nat.Struct.Mol.Biol., 27, 2020
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6Q84
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![BU of 6q84 by Molmil](/molmil-images/mine/6q84) | Crystal structure of RanGTP-Pdr6-eIF5A export complex | Descriptor: | Eukaryotic translation initiation factor 5A-1, GTP-binding nuclear protein Ran, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Aksu, M, Trakhanov, S, Vera-Rodriguez, A, Gorlich, D. | Deposit date: | 2018-12-14 | Release date: | 2019-05-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Structural basis for the nuclear import and export functions of the biportin Pdr6/Kap122. J.Cell Biol., 218, 2019
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8BRO
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![BU of 8bro by Molmil](/molmil-images/mine/8bro) | Structure of the N-terminal domain of BC2L-C lectin (1-131) in complex with a synthetic beta-fucosylamide | Descriptor: | 5-[3-(aminomethyl)phenyl]-~{N}-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]furan-2-carboxamide, Lectin | Authors: | Varrot, A, Lunstrom, J. | Deposit date: | 2022-11-23 | Release date: | 2023-02-08 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Identification of New L-Fucosyl and L-Galactosyl Amides as Glycomimetic Ligands of TNF Lectin Domain of BC2L-C from Burkholderia cenocepacia. Molecules, 28, 2023
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