6HS2
 
 | | EthR2 in complex with compound 31 (BDM76150) | | Descriptor: | (1~{S},5~{R})-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-one, Probable transcriptional regulatory protein | | Authors: | Wintjens, R, Wohlkonig, A, Tanina, A. | | Deposit date: | 2018-09-28 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | A fragment-based approach towards the discovery of N-substituted tropinones as inhibitors of Mycobacterium tuberculosis transcriptional regulator EthR2.
Eur J Med Chem, 167, 2019
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3IWU
 | | Crystal structure of Y116T/I16A double mutant of 5-hydroxyisourate hydrolase | | Descriptor: | 5-hydroxyisourate hydrolase | | Authors: | Cendron, L, Ramazzina, I, Berni, R, Percudani, R, Zanotti, G. | | Deposit date: | 2009-09-03 | | Release date: | 2010-09-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Probing the evolution of hydroxyisourate hydrolase into transthyretin through active-site redesign.
J.Mol.Biol., 409, 2011
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4OKE
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4YWA
 | | Structural Insight into Divalent Galactoside Binding to Pseudomonas aeruginosa lectin LecA | | Descriptor: | (2R,3R,4S,5R,6R,2'R,3'R,4'S,5'R,6'R)-2,2'-([(2R,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2,5-diyl]bis{1H-1,2,3-triazole-1,4-diyl[(2S,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2,5-diyl]-1H-1,2,3-triazole-1,4-diylmethanediyloxy})bis[6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol], CALCIUM ION, PA-I galactophilic lectin | | Authors: | Visini, R, Jin, X, Michaud, G, Bergmann, M, Gillon, E, Imberty, A, Stocker, A, Darbre, T, Pieters, R, Reymond, J.-L. | | Deposit date: | 2015-03-20 | | Release date: | 2015-09-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.192 Å) | | Cite: | Structural Insight into Multivalent Galactoside Binding to Pseudomonas aeruginosa Lectin LecA.
Acs Chem.Biol., 10, 2015
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1VUB
 | | CCDB, A TOPOISOMERASE POISON FROM E. COLI | | Descriptor: | CCDB, CHLORIDE ION | | Authors: | Loris, R, Dao-Thi, M.-H, Bahasi, E.M, Van Melderen, L, Poortmans, F, Liddington, R, Couturier, M, Wyns, L. | | Deposit date: | 1998-04-17 | | Release date: | 1998-07-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of CcdB, a topoisomerase poison from E. coli.
J.Mol.Biol., 285, 1999
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6FL5
 | | Structure of human SHMT1-H135N-R137A-E168N mutant at 3.6 Ang. resolution | | Descriptor: | CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE, Serine hydroxymethyltransferase, ... | | Authors: | Giardina, G, Cutruzzola, F, Lucchi, R. | | Deposit date: | 2018-01-25 | | Release date: | 2018-10-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | The catalytic activity of serine hydroxymethyltransferase is essential for de novo nuclear dTMP synthesis in lung cancer cells.
FEBS J., 285, 2018
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5ODD
 | | HUMAN MED26 N-TERMINAL DOMAIN (1-92) | | Descriptor: | Mediator of RNA polymerase II transcription subunit 26 | | Authors: | Lens, Z, Cantrelle, F.-X, Perruzini, R, Dewitte, F, Hanoulle, X, Villeret, V, Verger, A, Landrieu, I. | | Deposit date: | 2017-07-05 | | Release date: | 2017-11-29 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | 1H, 15N and 13C assignments of the N-terminal domain of the Mediator complex subunit MED26.
Biomol.Nmr Assign., 10, 2016
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5XLU
 | | High Resolution Crystal Structure of Bacillus Licheniformis Gamma Glutamyl Transpeptidase with Acivicin | | Descriptor: | (2S)-AMINO[(5S)-3-CHLORO-4,5-DIHYDROISOXAZOL-5-YL]ACETIC ACID, CALCIUM ION, GLYCEROL, ... | | Authors: | Kumari, S, Goel, M, Gupta, R, Pal, R. | | Deposit date: | 2017-05-11 | | Release date: | 2018-05-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | High Resolution Crystal Structure of Bacillus Licheniformis Gamma Glutamyl Transpeptidase with Acivicin
To Be Published
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1W9R
 | | Solution Structure of Choline Binding Protein A, Domain R2, the Major Adhesin of Streptococcus pneumoniae | | Descriptor: | CHOLINE BINDING PROTEIN A | | Authors: | Luo, R, Mann, B, Lewis, W.S, Rowe, A, Heath, R, Stewart, M.L, Hamburger, A.E, Bjorkman, P.J, Sivakolundu, S, Lacy, E.R, Tuomanen, E, Kriwacki, R.W. | | Deposit date: | 2004-10-15 | | Release date: | 2005-02-22 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of Choline Binding Protein A, the Major Adhesin of Streptococcus Pneumoniae
Embo J., 24, 2005
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4DPO
 | | Crystal structure of a conserved protein MM_1583 from Methanosarcina mazei Go1 | | Descriptor: | Conserved protein | | Authors: | Agarwal, R, Chamala, S, Evans, R, Gizzi, A, Hillerich, B, Kar, A, LaFleur, J, Foti, R, Siedel, R, Zencheck, W, Villigas, G, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2012-02-13 | | Release date: | 2012-02-29 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Crystal structure of a conserved protein MM_1583 from Methanosarcina mazei Go1
To be Published
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8HYF
 | | Crystal Structure of Banana Lectin In-complex with Fucose at 2.95 A Resolution | | Descriptor: | CADMIUM ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Rasheed, S, Arif, R, Huda, N, Ahmad, M.S, Mateen, S.M. | | Deposit date: | 2023-01-06 | | Release date: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Crystal Structure of Banana Lectin in-Complex with L-Fucose at 2.95 A Resolution
To Be Published
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2BRD
 | | CRYSTAL STRUCTURE OF BACTERIORHODOPSIN IN PURPLE MEMBRANE | | Descriptor: | BACTERIORHODOPSIN, PHOSPHORIC ACID 2,3-BIS-(3,7,11,15-TETRAMETHYL-HEXADECYLOXY)-PROPYL ESTER 2-HYDROXO-3-PHOSPHONOOXY-PROPYL ESTER, RETINAL | | Authors: | Henderson, R, Grigorieff, N. | | Deposit date: | 1995-12-27 | | Release date: | 1996-06-10 | | Last modified: | 2024-06-05 | | Method: | ELECTRON CRYSTALLOGRAPHY (3.5 Å) | | Cite: | Electron-crystallographic refinement of the structure of bacteriorhodopsin.
J.Mol.Biol., 259, 1996
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6CBY
 | | Crystal structure of human SET and MYND Domain Containing protein 2 with MTF9975 | | Descriptor: | N-lysine methyltransferase SMYD2, ZINC ION, [3-(4-amino-6-methyl-1H-imidazo[4,5-c]pyridin-1-yl)-3-methylazetidin-1-yl][1-({1-[(1R)-cyclohept-2-en-1-yl]piperidin-4-yl}methyl)-1H-pyrrol-3-yl]methanone | | Authors: | ZENG, H, DONG, A, Hutchinson, A, Seitova, A, TATLOCK, J, KUMPF, R, OWEN, A, TAYLOR, A, Casimiro-Garcia, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-02-05 | | Release date: | 2018-03-14 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Selective, Small-Molecule Co-Factor Binding Site Inhibition of a Su(var)3-9, Enhancer of Zeste, Trithorax Domain Containing Lysine Methyltransferase.
J.Med.Chem., 62, 2019
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8BIN
 | | Crystal structure of human Ephrin type-A receptor 2 (EPHA2) Kinase domain in complex with MR21 | | Descriptor: | 1,2-ETHANEDIOL, 8-(4-azanylbutyl)-6-(2-chlorophenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one, Ephrin type-A receptor 2 | | Authors: | Zhubi, R, Rak, M, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2022-11-02 | | Release date: | 2022-11-23 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Back-Pocket Optimization of 2-Aminopyrimidine-Based Macrocycles Leads to Potent EPHA2/GAK Kinase Inhibitors.
J.Med.Chem., 67, 2024
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8BIO
 | | Crystal structure of human Ephrin type-A receptor 2 (EPHA2) Kinase domain in complex with MRAL5 | | Descriptor: | 1,2-ETHANEDIOL, 8-(4-azanylbutyl)-6-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one, Ephrin type-A receptor 2 | | Authors: | Zhubi, R, Rak, M, Lucic, A, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2022-11-02 | | Release date: | 2022-11-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Shifting the selectivity of pyrido[2,3-d]pyrimidin-7(8H)-one inhibitors towards the salt-inducible kinase (SIK) subfamily.
Eur.J.Med.Chem., 254, 2023
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8IM7
 | | Human gamma-secretase treated with ganglioside GM1 | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhou, R, Yang, G, Shi, Y. | | Deposit date: | 2023-03-06 | | Release date: | 2024-01-17 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Preferential Regulation of Gamma-Secretase-Mediated Cleavage of APP by Ganglioside GM1 Reveals a Potential Therapeutic Target for Alzheimer's Disease.
Adv Sci, 10, 2023
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7JIB
 | | Room Temperature Crystal Structure of Nsp10/Nsp16 from SARS-CoV-2 with Substrates and Products of 2'-O-methylation of the Cap-1 | | Descriptor: | 2'-O-methyltransferase, 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-(2'-O-METHYL)-ADENOSINE, ... | | Authors: | Wilamowski, M, Minasov, G, Kim, Y, Sherrell, D.A, Shuvalova, L, Lavens, A, Chard, R, Rosas-Lemus, M, Maltseva, N, Jedrzejczak, R, Michalska, K, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-07-23 | | Release date: | 2020-08-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | 2'-O methylation of RNA cap in SARS-CoV-2 captured by serial crystallography.
Proc.Natl.Acad.Sci.USA, 118, 2021
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1ZE3
 | | Crystal Structure of the Ternary Complex of FIMD (N-Terminal Domain) with FIMC and the Pilin Domain of FIMH | | Descriptor: | 1,2-ETHANEDIOL, Chaperone protein fimC, FimH protein, ... | | Authors: | Nishiyama, M, Horst, R, Eidam, O, Herrmann, T, Ignatov, O, Vetsch, M, Bettendorff, P, Jelesarov, I, Grutter, M.G, Wuthrich, K, Glockshuber, R, Capitani, G. | | Deposit date: | 2005-04-17 | | Release date: | 2005-06-14 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Structural basis of chaperone-subunit complex recognition by the type 1 pilus assembly platform FimD.
Embo J., 24, 2005
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5A15
 | | Crystal structure of the BTB domain of human KCTD16 | | Descriptor: | BTB/POZ DOMAIN-CONTAINING PROTEIN KCTD16 | | Authors: | Pinkas, D.M, Sanvitale, C.E, Solcan, N, Goubin, S, Canning, P, Dixon Clarke, S.E, Talon, R, Wiggers, H.J, Fitzpatrick, F, Tallant, C, Kopec, J, Chalk, R, Doutch, J, Krojer, T, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | | Deposit date: | 2015-04-28 | | Release date: | 2015-11-04 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Structural complexity in the KCTD family of Cullin3-dependent E3 ubiquitin ligases.
Biochem. J., 474, 2017
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1Z1W
 | | Crystal structures of the tricorn interacting facor F3 from Thermoplasma acidophilum, a zinc aminopeptidase in three different conformations | | Descriptor: | SULFATE ION, Tricorn protease interacting factor F3, ZINC ION | | Authors: | Kyrieleis, O.J.P, Goettig, P, Kiefersauer, R, Huber, R, Brandstetter, H. | | Deposit date: | 2005-03-07 | | Release date: | 2005-05-31 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal Structures of the Tricorn Interacting Factor F3 from Thermoplasma acidophilum, a Zinc Aminopeptidase in Three Different Conformations
J.MOL.BIOL., 394, 2005
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1ZP3
 | | E. coli Methylenetetrahydrofolate Reductase (oxidized) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5,10-methylenetetrahydrofolate reductase, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Pejchal, R, Sargeant, R, Ludwig, M.L. | | Deposit date: | 2005-05-16 | | Release date: | 2005-08-09 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structures of NADH and CH(3)-H(4)Folate Complexes of Escherichia coli Methylenetetrahydrofolate Reductase Reveal a Spartan Strategy for a Ping-Pong Reaction
Biochemistry, 44, 2005
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6HS0
 | | EthR2 in complex with compound 5 (BDM71847) | | Descriptor: | 1-[(3-chlorophenyl)methyl]piperazine, Probable transcriptional regulatory protein | | Authors: | Wintjens, R, Wohlkonig, A, Tanina, A. | | Deposit date: | 2018-09-28 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | A fragment-based approach towards the discovery of N-substituted tropinones as inhibitors of Mycobacterium tuberculosis transcriptional regulator EthR2.
Eur J Med Chem, 167, 2019
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6HHI
 | | Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 30b | | Descriptor: | RAC-alpha serine/threonine-protein kinase, ~{N}-[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-3-(propanoylamino)benzamide | | Authors: | Landel, I, Weisner, J, Mueller, M.P, Scheinpflug, R, Rauh, D. | | Deposit date: | 2018-08-28 | | Release date: | 2019-02-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural and chemical insights into the covalent-allosteric inhibition of the protein kinase Akt.
Chem Sci, 10, 2019
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8I12
 | | InuAMN8 | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Glycosyl hydrolase family 32 exo-inulinase | | Authors: | Zhou, J.P, Cen, X.L, He, L.M, Zhang, R, Huang, Z.X. | | Deposit date: | 2023-01-12 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Cold-active and NaCl-tolerant exo-inulinase InuAMN8.
To Be Published
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6BUT
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