6SP4
| KEAP1 IN COMPLEX WITH COMPOUND 23 | Descriptor: | (1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclobutane-1-carboxamide, Kelch-like ECH-associated protein 1 | Authors: | Ontoria, J.M, Biancofiore, I, Fezzardi, P, Torrente de Haro, E, Colarusso, S, Bianchi, E, Andreini, M, Patsilinakos, A, Summa, V, Pacifici, R, Munoz-Sanjuan, I, Park, L, Bresciani, A, Dominguez, C, Toledo-Sherman, L, Harper, S. | Deposit date: | 2019-08-30 | Release date: | 2020-06-03 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Combined Peptide and Small-Molecule Approach toward Nonacidic THIQ Inhibitors of the KEAP1/NRF2 Interaction. Acs Med.Chem.Lett., 11, 2020
|
|
5YKQ
| |
4Z53
| Quinolone(Trovafloxacin)-DNA cleavage complex of topoisomerase IV from S. pneumoniae | Descriptor: | DNA topoisomerase 4 subunit B,DNA topoisomerase 4 subunit A, E-site DNA, MAGNESIUM ION, ... | Authors: | Laponogov, I, Veselkov, D.A, Pan, X.-S, Selvarajah, J, Crevel, I.M.-T, Fisher, L.M, Sanderson, M.R. | Deposit date: | 2015-04-02 | Release date: | 2016-09-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.26 Å) | Cite: | Structural studies of the drug-stabilized cleavage complexes of topoisomerase IV and gyrase from Streptococcus pneumoniae To Be Published
|
|
6G7B
| Nt2 domain of the TssA component from the type VI secretion system of Aeromonas hydrophila. | Descriptor: | ImpA-related domain protein | Authors: | Dix, S.D, Owen, H.J, Sun, R, Ahmad, A, Shastri, S, Spiewak, H.L, Mosby, D.J, Harris, M.J, Batters, S.L, Tzokov, S.B, Sedelnikova, S.E, Baker, P.J, Bullough, P.A, Rice, D.W, Thomas, M.S. | Deposit date: | 2018-04-05 | Release date: | 2018-11-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Structural insights into the function of type VI secretion system TssA subunits. Nat Commun, 9, 2018
|
|
6VZ4
| |
6SZ1
| Crystal structure of YTHDC1 with fragment 2 (DHU_DC1_140) | Descriptor: | SULFATE ION, YTH domain-containing protein 1, ~{N}-methylquinazolin-4-amine | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | Deposit date: | 2019-10-01 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments. Acs Chem.Biol., 15, 2020
|
|
4Z3C
| Zinc finger region of human TET3 in complex with CpG DNA | Descriptor: | DNA (5'-D(*GP*CP*CP*AP*AP*CP*GP*TP*TP*GP*GP*C)-3'), Methylcytosine dioxygenase, UNKNOWN ATOM OR ION, ... | Authors: | Liu, K, Xu, C, Tempel, W, Dong, A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2015-03-31 | Release date: | 2015-04-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | DNA Sequence Recognition of Human CXXC Domains and Their Structural Determinants. Structure, 2017
|
|
6IGQ
| Crystal structure of inactive state of S9 peptidase from Deinococcus radiodurans R1 (PMSF treated) | Descriptor: | Acyl-peptide hydrolase, putative, GLYCEROL, ... | Authors: | Yadav, P, Goyal, V.D, Kumar, A, Makde, R.D. | Deposit date: | 2018-09-25 | Release date: | 2018-11-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Carboxypeptidase in prolyl oligopeptidase family: Unique enzyme activation and substrate-screening mechanisms. J.Biol.Chem., 294, 2019
|
|
3K2I
| Human Acyl-coenzyme A thioesterase 4 | Descriptor: | Acyl-coenzyme A thioesterase 4, CHLORIDE ION, NICKEL (II) ION | Authors: | Siponen, M.I, Moche, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kraulis, P, Kotenyova, T, Kotzsch, A, Markova, N, Nielsen, T.K, Nordlund, P, Nyman, T, Persson, C, Roos, A.K, Schutz, P, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC) | Deposit date: | 2009-09-30 | Release date: | 2009-10-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Human Acyl-coenzyme A thioesterase 4 To be Published
|
|
6VZP
| HBV wild type capsid | Descriptor: | Capsid protein | Authors: | Zhao, Z, Wang, J, Zlotnick, A. | Deposit date: | 2020-02-28 | Release date: | 2020-09-30 | Last modified: | 2020-12-30 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | The Integrity of the Intradimer Interface of the Hepatitis B Virus Capsid Protein Dimer Regulates Capsid Self-Assembly. Acs Chem.Biol., 15, 2020
|
|
6T05
| Crystal structure of YTHDC1 with fragment 18 (DHU_DC1_048) | Descriptor: | 2-(phenylmethyl)imidazolidine, SULFATE ION, YTHDC1 | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | Deposit date: | 2019-10-02 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments. Acs Chem.Biol., 15, 2020
|
|
4Z46
| |
6BXJ
| Structure of a single-chain beta3 integrin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Chimera protein of Integrin beta-3 and Integrin alpha-L, MAGNESIUM ION | Authors: | Thinn, A.M.M, Wang, Z, Zhou, D, Zhao, Y, Curtis, B.R, Zhu, J. | Deposit date: | 2017-12-18 | Release date: | 2018-10-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.092 Å) | Cite: | Autonomous conformational regulation of beta3integrin and the conformation-dependent property of HPA-1a alloantibodies. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
7KVW
| Non-ribosomal didomain (holo-PCP-C) acceptor bound state | Descriptor: | 4'-PHOSPHOPANTETHEINE, PCP-C didomain | Authors: | Izore, T, Ho, Y.T.C, Kaczmarski, J.A, Gavriilidou, A, Chow, K.H, Steer, D, Goode, R.J.A, Schittenhelm, R.B, Tailhades, J, Tosin, M, Challis, G.L, Krenske, E.H, Ziemert, N, Jackson, C.J, Cryle, M.J. | Deposit date: | 2020-11-29 | Release date: | 2021-03-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Structures of a non-ribosomal peptide synthetase condensation domain suggest the basis of substrate selectivity. Nat Commun, 12, 2021
|
|
7M9V
| HIV-1 Protease (I84V) in Complex with NR01-141 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(1S)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, Protease, SULFATE ION | Authors: | Lockbaum, G.J, Schiffer, C.A. | Deposit date: | 2021-03-31 | Release date: | 2022-08-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.891 Å) | Cite: | HIV-1 Protease (I84V) in Complex with NR01-141 To Be Published
|
|
13PK
| TERNARY COMPLEX OF PHOSPHOGLYCERATE KINASE FROM TRYPANOSOMA BRUCEI | Descriptor: | 3-PHOSPHOGLYCERATE KINASE, 3-PHOSPHOGLYCERIC ACID, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Bernstein, B.E, Michels, P.A.M, Hol, W.G.J. | Deposit date: | 1996-11-23 | Release date: | 1997-12-24 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Synergistic effects of substrate-induced conformational changes in phosphoglycerate kinase activation. Nature, 385, 1997
|
|
4Z7O
| Integrin alphaIIbbeta3 in complex with AGDV peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Lin, F.Y, Zhu, J, Springer, T.A. | Deposit date: | 2015-04-07 | Release date: | 2016-01-27 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | beta-Subunit Binding Is Sufficient for Ligands to Open the Integrin alpha IIb beta 3 Headpiece. J.Biol.Chem., 291, 2016
|
|
5FHT
| HtrA2 protease mutant V226K | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, POTASSIUM ION, ... | Authors: | Golik, P, Dubin, G, Zurawa-Janicka, D, Lipinska, B, Jarzab, M, Wenta, T, Gieldon, A, Ciarkowski, A. | Deposit date: | 2015-12-22 | Release date: | 2016-09-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Distinct 3D Architecture and Dynamics of the Human HtrA2(Omi) Protease and Its Mutated Variants. Plos One, 11, 2016
|
|
6BYD
| Crystal structure of the second StART domain of yeast Lam4 | Descriptor: | Membrane-anchored lipid-binding protein LAM4 | Authors: | Jentsch, J.A, Kiburu, I.N, Wu, J, Pandey, K, Boudker, O, Menon, A.K. | Deposit date: | 2017-12-20 | Release date: | 2018-01-31 | Last modified: | 2020-01-08 | Method: | X-RAY DIFFRACTION (2.195 Å) | Cite: | Structural basis of sterol binding and transport by a yeast StARkin domain. J. Biol. Chem., 293, 2018
|
|
7M9T
| HIV-1 Protease WT (NL4-3) in Complex with NR02-73 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(1S)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl][(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate, Protease, SULFATE ION | Authors: | Lockbaum, G.J, Schiffer, C.A. | Deposit date: | 2021-03-31 | Release date: | 2022-08-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | HIV-1 Protease WT (NL4-3) in Complex with NR02-73 To Be Published
|
|
8IVK
| |
6T10
| Crystal structure of YTHDC1 with fragment 28 (DHU_DC1_176) | Descriptor: | 5-iodanyl-~{N}-methyl-1~{H}-indazole-3-carboxamide, SULFATE ION, YTHDC1 | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | Deposit date: | 2019-10-03 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments. Acs Chem.Biol., 15, 2020
|
|
1AK8
| NMR SOLUTION STRUCTURE OF CERIUM-LOADED CALMODULIN AMINO-TERMINAL DOMAIN (CE2-TR1C), 23 STRUCTURES | Descriptor: | CALMODULIN, CERIUM (III) ION | Authors: | Bentrop, D, Bertini, I, Cremonini, M.A, Forsen, S, Luchinat, C, Malmendal, A. | Deposit date: | 1997-05-29 | Release date: | 1997-09-17 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of the paramagnetic complex of the N-terminal domain of calmodulin with two Ce3+ ions by 1H NMR. Biochemistry, 36, 1997
|
|
7KW0
| Non-ribosomal didomain (stabilised glycine-PCP-C) acceptor bound state | Descriptor: | N-{2-[(2-aminoethyl)sulfanyl]ethyl}-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, PCP-C didomain | Authors: | Izore, T, Ho, Y.T.C, Kaczmarski, J.A, Gavriilidou, A, Chow, K.H, Steer, D, Goode, R.J.A, Schittenhelm, R.B, Tailhades, J, Tosin, M, Challis, G.L, Krenske, E.H, Ziemert, N, Jackson, C.J, Cryle, M.J. | Deposit date: | 2020-11-29 | Release date: | 2021-03-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structures of a non-ribosomal peptide synthetase condensation domain suggest the basis of substrate selectivity. Nat Commun, 12, 2021
|
|
4U3T
| |