6WXC
 
 | | Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with potential repurposing drug Tipiracil | | Descriptor: | 1,2-ETHANEDIOL, 5-CHLORO-6-(1-(2-IMINOPYRROLIDINYL) METHYL) URACIL, FORMIC ACID, ... | | Authors: | Kim, Y, Maltseva, N, Jedrzejczak, R, Welk, L, Endres, M, Chang, C, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-05-10 | | Release date: | 2020-05-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Tipiracil binds to uridine site and inhibits Nsp15 endoribonuclease NendoU from SARS-CoV-2.
Commun Biol, 4, 2021
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6NR8
 | | hTRiC-hPFD Class6 | | Descriptor: | Prefoldin subunit 1, Prefoldin subunit 2, Prefoldin subunit 3, ... | | Authors: | Gestaut, D.R, Roh, S.H, Ma, B, Pintilie, G, Joachimiak, L.A, Leitner, A, Walzthoeni, T, Aebersold, R, Chiu, W, Frydman, J. | | Deposit date: | 2019-01-23 | | Release date: | 2019-06-19 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (7.8 Å) | | Cite: | The Chaperonin TRiC/CCT Associates with Prefoldin through a Conserved Electrostatic Interface Essential for Cellular Proteostasis.
Cell, 177, 2019
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6NY7
 | | Crystal Structure of NDM-1 D199N with Compound 16 | | Descriptor: | Carbapenem Hydrolyzing Class B Metallo beta lactamase NDM-1, ZINC ION, [(5,7-dibromo-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid | | Authors: | Akhtar, A, Chen, Y. | | Deposit date: | 2019-02-11 | | Release date: | 2019-09-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
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6TZ4
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6YPW
 | | Crystal structure for the complex of human carbonic anhydrase II and 4-((1-(2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)-1H-1,2,3-triazol-4-yl)methoxy)benzenesulfonamide | | Descriptor: | 4-[[1-[(2~{S},3~{S},5~{R})-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]-1,2,3-triazol-4-yl]methoxy]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION | | Authors: | Angeli, A, Ferraroni, M. | | Deposit date: | 2020-04-16 | | Release date: | 2021-04-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Mechanisms of the Antiproliferative and Antitumor Activity of Novel Telomerase-Carbonic Anhydrase Dual-Hybrid Inhibitors.
J.Med.Chem., 64, 2021
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1CM5
 | | CRYSTAL STRUCTURE OF C418A,C419A MUTANT OF PFL FROM E.COLI | | Descriptor: | CARBONATE ION, PROTEIN (PYRUVATE FORMATE-LYASE), SODIUM ION | | Authors: | Becker, A, Fritz-Wolf, K, Kabsch, W, Knappe, J, Schultz, S, Wagner, A.F.V. | | Deposit date: | 1999-05-14 | | Release date: | 1999-12-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure and mechanism of the glycyl radical enzyme pyruvate formate-lyase.
Nat.Struct.Biol., 6, 1999
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6RBJ
 | | Crystal structure of KDM3B in complex with 5-(1H-tetrazol-5-yl)quinolin-8-ol | | Descriptor: | 1,2-ETHANEDIOL, 5-(1~{H}-1,2,3,4-tetrazol-5-yl)quinolin-8-ol, CHLORIDE ION, ... | | Authors: | Johansson, C, Newman, J.A, Kawamura, A, Schofield, C.J, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T. | | Deposit date: | 2019-04-10 | | Release date: | 2020-05-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.093 Å) | | Cite: | Crystal structure of KDM3B in complex with 5-(1H-tetrazol-5-yl)quinolin-8-ol
To Be Published
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5T35
 | | The PROTAC MZ1 in complex with the second bromodomain of Brd4 and pVHL:ElonginC:ElonginB | | Descriptor: | (2~{S},4~{R})-1-[(2~{S})-2-[2-[2-[2-[2-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-2,3-dihydro-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Bromodomain-containing protein 4, Transcription elongation factor B polypeptide 1, ... | | Authors: | Gadd, M.S, Zengerle, M, Ciulli, A. | | Deposit date: | 2016-08-24 | | Release date: | 2017-03-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis of PROTAC cooperative recognition for selective protein degradation.
Nat. Chem. Biol., 13, 2017
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3NN9
 | | REFINED ATOMIC STRUCTURES OF N9 SUBTYPE INFLUENZA VIRUS NEURAMINIDASE AND ESCAPE MUTANTS | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NEURAMINIDASE N9, ... | | Authors: | Tulip, W.R, Varghese, J.N, Baker, A.T, Vandonkelaar, A, Laver, W.G, Webster, R.G, Colman, P.M. | | Deposit date: | 1991-03-28 | | Release date: | 1992-07-15 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Refined atomic structures of N9 subtype influenza virus neuraminidase and escape mutants.
J.Mol.Biol., 221, 1991
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1F5R
 | | RAT TRYPSINOGEN MUTANT COMPLEXED WITH BOVINE PANCREATIC TRYPSIN INHIBITOR | | Descriptor: | CALCIUM ION, PANCREATIC TRYPSIN INHIBITOR, TRYPSIN II, ... | | Authors: | Pasternak, A, White, A, Cahoon, M, Ringe, D, Hedstrom, L. | | Deposit date: | 2000-06-15 | | Release date: | 2001-07-04 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | The energetic cost of induced fit catalysis: Crystal structures of trypsinogen mutants with enhanced activity and inhibitor affinity.
Protein Sci., 10, 2001
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6O23
 | | Crystal structure of 2243 Fab in complex with circumsporozoite protein NANP5 | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2243 Fab heavy chain, ... | | Authors: | Scally, S.W, Bosch, A, Prieto, K, Murugan, R, Wardemann, H, Julien, J.P. | | Deposit date: | 2019-02-22 | | Release date: | 2020-03-04 | | Last modified: | 2020-09-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Evolution of protective human antibodies against Plasmodium falciparum circumsporozoite protein repeat motifs.
Nat. Med., 26, 2020
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6O0Y
 | | Conformational states of Cas9-sgRNA-DNA ternary complex in the presence of magnesium | | Descriptor: | 3' product of target strand DNA, 5' product of target strand DNA, CRISPR-associated endonuclease Cas9/Csn1, ... | | Authors: | Zhu, X, Clarke, R, Puppala, A.K, Chittori, S, Merk, A, Merrill, B.J, Simonovic, M, Subramaniam, S. | | Deposit date: | 2019-02-17 | | Release date: | 2019-07-10 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.37 Å) | | Cite: | Cryo-EM structures reveal coordinated domain motions that govern DNA cleavage by Cas9.
Nat.Struct.Mol.Biol., 26, 2019
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5LG5
 | | Crystal structure of allantoin racemase from Pseudomonas fluorescens AllR | | Descriptor: | Allantoin racemase | | Authors: | Cendron, l, Zanotti, G, Percudani, R, Ragazzina, I, Puggioni, V, Maccacaro, E, Liuzzi, A, Secchi, A. | | Deposit date: | 2016-07-06 | | Release date: | 2017-05-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Structure and Function of a Microbial Allantoin Racemase Reveal the Origin and Conservation of a Catalytic Mechanism.
Biochemistry, 55, 2016
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3NTS
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2V1D
 | | Structural basis of LSD1-CoREST selectivity in histone H3 recognition | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, HISTONE H3.1T, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, ... | | Authors: | Forneris, F, Binda, C, Adamo, A, Battaglioli, E, Mattevi, A. | | Deposit date: | 2007-05-23 | | Release date: | 2007-05-29 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural Basis of Lsd1-Corest Selectivity in Histone H3 Recognition.
J.Biol.Chem., 282, 2007
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2V4U
 | | Human CTP synthetase 2 - glutaminase domain in complex with 5-OXO-L- NORLEUCINE | | Descriptor: | CTP SYNTHASE 2 | | Authors: | Welin, M, Moche, M, Andersson, J, Arrowsmith, C.H, Berglund, H, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Lehtio, L, Nilsson, M.E, Nyman, T, Olesen, K, Persson, C, Sagemark, J, Schueler, H, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wisniewska, M, Weigelt, J, Wikstrom, M, Nordlund, P. | | Deposit date: | 2008-09-29 | | Release date: | 2008-10-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Human Ctp Synthetase 2 - Glutaminase Domain in Complex with 5-Oxo-L-Norleucine
To be Published
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1D3S
 | | 1.4 A crystal structure of nitrophorin 4 from Rhodnius prolixis at pH=5.6. | | Descriptor: | NITROPHORIN 4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Weichsel, A, Andersen, J.F, Roberts, S.A, Montfort, W.R. | | Deposit date: | 1999-09-30 | | Release date: | 2000-07-07 | | Last modified: | 2018-04-18 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Nitric oxide binding to nitrophorin 4 induces complete distal pocket burial.
Nat.Struct.Biol., 7, 2000
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7QBH
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1D48
 | | STRUCTURE OF THE PURE-SPERMINE FORM OF Z-DNA (MAGNESIUM FREE) AT 1 ANGSTROM RESOLUTION | | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), SPERMINE | | Authors: | Egli, M, Williams, L.D, Gao, Q, Rich, A. | | Deposit date: | 1991-09-11 | | Release date: | 1992-04-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Structure of the pure-spermine form of Z-DNA (magnesium free) at 1-A resolution.
Biochemistry, 30, 1991
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1KIO
 | | SOLUTION STRUCTURE OF THE SMALL SERINE PROTEASE INHIBITOR SGCI[L30R, K31M] | | Descriptor: | SERINE PROTEASE INHIBITOR I | | Authors: | Gaspari, Z, Patthy, A, Graf, L, Perczel, A. | | Deposit date: | 2001-12-03 | | Release date: | 2001-12-12 | | Last modified: | 2024-10-09 | | Method: | SOLUTION NMR | | Cite: | Comparative structure analysis of proteinase inhibitors from the desert locust, Schistocerca gregaria.
Eur.J.Biochem., 269, 2002
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1CF2
 | | THREE-DIMENSIONAL STRUCTURE OF D-GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE FROM THE HYPERTHERMOPHILIC ARCHAEON METHANOTHERMUS FERVIDUS | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTEIN (GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE), SULFATE ION | | Authors: | Charron, C, Talfournier, F, Isuppov, M.N, Branlant, G, Littlechild, J.A, Vitoux, B, Aubry, A. | | Deposit date: | 1999-03-24 | | Release date: | 2000-03-29 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystallization and preliminary X-ray diffraction studies of D-glyceraldehyde-3-phosphate dehydrogenase from the hyperthermophilic archaeon Methanothermus fervidus.
Acta Crystallogr.,Sect.D, 55, 1999
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1D5R
 | | Crystal Structure of the PTEN Tumor Suppressor | | Descriptor: | L(+)-TARTARIC ACID, PHOSPHOINOSITIDE PHOSPHATASE PTEN | | Authors: | Lee, J.O, Yang, H, Georgescu, M.-M, Di Cristofano, A, Pavletich, N.P. | | Deposit date: | 1999-10-11 | | Release date: | 1999-11-04 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of the PTEN tumor suppressor: implications for its phosphoinositide phosphatase activity and membrane association.
Cell(Cambridge,Mass.), 99, 1999
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8Q34
 | | Crystal structure of the first bromodomain of human BRD4 in complex with the ligand ZZ001229a | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(1~{H}-imidazo[4,5-b]pyridin-2-ylmethyl)-3-(3-methyl-1,2-diazirin-3-yl)propanamide | | Authors: | MacLean, E.M, Gao, Q, Williams, E, Balcomb, B.H, von Delft, F, Bajusz, D, Keeley, A, Abranyi-Balogh, P, Koekemoer, L, Keseru, G.M. | | Deposit date: | 2023-08-03 | | Release date: | 2024-02-07 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Mapping protein binding sites by photoreactive fragment pharmacophores.
Commun Chem, 7, 2024
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2WTH
 | | Low resolution 3D structure of C.elegans globin-like protein (GLB-1): P3121 crystal form | | Descriptor: | GLOBIN-LIKE PROTEIN, GLYCEROL, OXYGEN MOLECULE, ... | | Authors: | Geuens, E, Hoogewijs, D, Nardini, M, Vinck, E, Pesce, A, Kiger, L, Fago, A, Tilleman, L, De Henau, S, Marden, M, Weber, R.E, Van Doorslaer, S, Vanfleteren, J, Moens, L, Bolognesi, M, Dewilde, S. | | Deposit date: | 2009-09-16 | | Release date: | 2010-04-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Globin-Like Proteins in Caenorhabditis Elegans: In Vivo Localization, Ligand Binding and Structural Properties.
Bmc Biochem., 11, 2010
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1D60
 | | THE STRUCTURE OF THE B-DNA DECAMER C-C-A-A-C-I-T-T-G-G: TRIGONAL FORM | | Descriptor: | DNA (5'-D(*CP*CP*AP*AP*CP*IP*TP*TP*GP*G)-3'), MAGNESIUM ION | | Authors: | Lipanov, A, Kopka, M.L, Kaczor-Grzeskowiak, M, Quintana, J, Dickerson, R.E. | | Deposit date: | 1992-02-26 | | Release date: | 1993-04-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of the B-DNA decamer C-C-A-A-C-I-T-T-G-G in two different space groups: conformational flexibility of B-DNA.
Biochemistry, 32, 1993
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