5QQB
 
 | | PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOOA000676a | | Descriptor: | 8-fluoranyl-5-methyl-1,2,3,6-tetrahydro-1,5-benzodiazocin-4-one, ACETATE ION, Farnesyl diphosphate synthase, ... | | Authors: | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | | Deposit date: | 2019-03-12 | | Release date: | 2020-04-29 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library
To Be Published
|
|
3AG6
 | | Crystal Structure of Pantothenate Synthetase from Staphylococcus aureus in complex with pantoyl adenylate | | Descriptor: | ACETIC ACID, PANTOYL ADENYLATE, Pantothenate synthetase, ... | | Authors: | Satoh, A, Konishi, S, Tamura, H, Stickland, H.G, Whitney, H.M, Smith, A.G, Matsumura, H, Inoue, T. | | Deposit date: | 2010-03-19 | | Release date: | 2010-07-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Substrate-induced closing of the active site revealed by the crystal structure of pantothenate synthetase from Staphylococcus aureus.
Biochemistry, 49, 2010
|
|
3P8A
 | | Crystal Structure of a hypothetical protein from Staphylococcus aureus | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | Lam, R, Qiu, W, Battaile, K, Lam, K, Romanov, V, Chan, T, Pai, E, Chirgadze, N.Y. | | Deposit date: | 2010-10-13 | | Release date: | 2011-10-19 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal Structure of a hypothetical protein from Staphylococcus aureus
To be Published
|
|
3TDX
 | | Crystal structure of HSC L82V | | Descriptor: | CHLORIDE ION, TETRAETHYLENE GLYCOL, formate/nitrite transporter, ... | | Authors: | Czyzewski, B.K, Wang, D.-N. | | Deposit date: | 2011-08-11 | | Release date: | 2012-03-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Identification and characterization of a bacterial hydrosulphide ion channel.
Nature, 483, 2012
|
|
3TGW
 | | Crystal structure of subunit B mutant H156A of the A1AO ATP synthase | | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, ... | | Authors: | Tadwal, V.S, Manimekalai, M.S.S, Jeyakanthan, J, Gruber, G. | | Deposit date: | 2011-08-18 | | Release date: | 2012-09-05 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structure of subunit A mutants H156A, N157A and N157T of the A1AO ATP synthase
To be Published
|
|
7WID
 | | Crystal structure of Staphylococcus aureus ClpP in complex with ZG180 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (6S,9aS)-6-[(2S)-butan-2-yl]-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-N-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit, ... | | Authors: | Wei, B.Y, Gan, J.H, Yang, C.-G. | | Deposit date: | 2022-01-03 | | Release date: | 2022-11-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Anti-infective therapy using species-specific activators of Staphylococcus aureus ClpP.
Nat Commun, 13, 2022
|
|
3A0S
 | | PAS domain of histidine kinase ThkA (TM1359) | | Descriptor: | DI(HYDROXYETHYL)ETHER, Sensor protein, TETRAETHYLENE GLYCOL, ... | | Authors: | Yamada, S, Sugimoto, H, Kobayashi, M, Ohno, A, Nakamura, H, Shiro, Y. | | Deposit date: | 2009-03-24 | | Release date: | 2009-10-20 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Structure of PAS-linked histidine kinase and the response regulator complex
Structure, 17, 2009
|
|
3A9F
 | | Crystal structure of the C-terminal domain of cytochrome cz from Chlorobium tepidum | | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Cytochrome c, HEME C, ... | | Authors: | Hirano, Y, Higuchi, M, Azai, C, Oh-oka, H, Miki, K, Wang, Z.-Y. | | Deposit date: | 2009-10-25 | | Release date: | 2010-03-02 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal structure of the electron carrier domain of the reaction center cytochrome c(z) subunit from green photosynthetic bacterium Chlorobium tepidum
J.Mol.Biol., 397, 2010
|
|
7FI1
 | |
7FI0
 | | Crystal structure of Multi-functional Polysaccharide lyase Smlt1473 (WT) from Stenotrophomonas maltophilia (strain K279a) in ManA bound form at pH-5.0 | | Descriptor: | DI(HYDROXYETHYL)ETHER, Polysaccharide lyase, SULFATE ION, ... | | Authors: | Pandey, S, Berger, B.W, Acharya, R. | | Deposit date: | 2021-07-30 | | Release date: | 2021-10-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Structural insights into the mechanism of pH-selective substrate specificity of the polysaccharide lyase Smlt1473.
J.Biol.Chem., 297, 2021
|
|
7F58
 | | Cryo-EM structure of THIQ-MC4R-Gs_Nb35 complex | | Descriptor: | (3R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxidanylidene-propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide, CALCIUM ION, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Zhang, H, Chen, L, Mao, C, Shen, Q, Yang, D, Shen, D, Qin, J. | | Deposit date: | 2021-06-21 | | Release date: | 2021-11-03 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural insights into ligand recognition and activation of the melanocortin-4 receptor.
Cell Res., 31, 2021
|
|
3OUH
 | | PHD2-R127 with JNJ41536014 | | Descriptor: | 1-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazole-4-carboxylic acid, Egl nine homolog 1, FE (II) ION, ... | | Authors: | Kim, H, Clark, R. | | Deposit date: | 2010-09-14 | | Release date: | 2010-12-01 | | Last modified: | 2018-04-18 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Benzimidazole-2-pyrazole HIF Prolyl 4-Hydroxylase Inhibitors as Oral Erythropoietin Secretagogues.
ACS Med Chem Lett, 1, 2010
|
|
5ODI
 | | Heterodisulfide reductase / [NiFe]-hydrogenase complex from Methanothermococcus thermolithotrophicus cocrystallized with CoM-SH | | Descriptor: | 1-THIOETHANESULFONIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ... | | Authors: | Wagner, T, Koch, J, Ermler, U, Shima, S. | | Deposit date: | 2017-07-05 | | Release date: | 2017-08-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Methanogenic heterodisulfide reductase (HdrABC-MvhAGD) uses two noncubane [4Fe-4S] clusters for reduction.
Science, 357, 2017
|
|
1FT6
 | | REDUCED STATE OF CYTOCHROME C554 FROM NITROSOMONAS EUROPAEA | | Descriptor: | CYTOCHROME C554, DITHIONITE, HEME C, ... | | Authors: | Iverson, T.M, Arciero, D.M, Hooper, A.B, Rees, D.C. | | Deposit date: | 2000-09-11 | | Release date: | 2000-09-20 | | Last modified: | 2021-03-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | High-resolution structures of the oxidized and reduced states of cytochrome c554 from Nitrosomonas europaea.
J.Biol.Inorg.Chem., 6, 2001
|
|
2ZZK
 | | Crystal structure of tRNA wybutosine synthesizing enzyme TYW4 | | Descriptor: | CITRIC ACID, Leucine carboxyl methyltransferase 2, TETRAETHYLENE GLYCOL | | Authors: | Suzuki, Y, Noma, A, Suzuki, T, Ishitani, R, Nureki, O. | | Deposit date: | 2009-02-17 | | Release date: | 2009-06-02 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.706 Å) | | Cite: | Structural basis of tRNA modification with CO2 fixation and methylation by wybutosine synthesizing enzyme TYW4.
Nucleic Acids Res., 37, 2009
|
|
3P24
 | | Structure of profragilysin-3 from Bacteroides fragilis | | Descriptor: | AZIDE ION, BFT-3, GLYCEROL, ... | | Authors: | Goulas, T, Arolas, J.L, Gomis-Ruth, F.X. | | Deposit date: | 2010-10-01 | | Release date: | 2010-12-29 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure, function and latency regulation of a bacterial enterotoxin potentially derived from a mammalian adamalysin/ADAM xenolog.
Proc.Natl.Acad.Sci.USA, 108, 2011
|
|
1XDJ
 | |
7F40
 | | Lysophospholipid acyltransferase LPCAT3 in a complex with Arachidonoyl-CoA | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, LPCAT3, S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenethioate | | Authors: | Zhang, Q, Yao, D, Rao, B, Li, S, Jian, L, Chen, Y, Hu, K, Xia, Y, Shen, Y, Cao, Y. | | Deposit date: | 2021-06-17 | | Release date: | 2021-12-01 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.49 Å) | | Cite: | The structural basis for the phospholipid remodeling by lysophosphatidylcholine acyltransferase 3.
Nat Commun, 12, 2021
|
|
3PA7
 | | Crystal structure of FKBP from plasmodium vivax in complex with tetrapeptide ALPF | | Descriptor: | 4-mer Peptide ALPF, 70 kDa peptidylprolyl isomerase, putative | | Authors: | Balakrishna, A.M, Alag, R, Yoon, H.S. | | Deposit date: | 2010-10-18 | | Release date: | 2012-02-29 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Structural insights into substrate binding by PvFKBP35, a peptidylprolyl cis-trans isomerase from the human malarial parasite Plasmodium vivax
EUKARYOTIC CELL, 12, 2013
|
|
2N2K
 | | Ensemble structure of the closed state of Lys63-linked diubiquitin in the absence of a ligand | | Descriptor: | S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate, ubiquitin | | Authors: | Liu, Z, Gong, Z, Tang, C. | | Deposit date: | 2015-05-10 | | Release date: | 2015-07-08 | | Last modified: | 2015-09-23 | | Method: | SOLUTION NMR | | Cite: | Lys63-linked ubiquitin chain adopts multiple conformational states for specific target recognition.
Elife, 4, 2015
|
|
5QC2
 | | Crystal structure of human Cathepsin-S with bound ligand | | Descriptor: | 2-[1-(cyclohexylmethyl)piperidin-4-yl]-1-{3-[3-{[2-(4-fluoropiperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-(3-hydroxypropyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one, Cathepsin S | | Authors: | Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K. | | Deposit date: | 2017-08-04 | | Release date: | 2017-12-20 | | Last modified: | 2021-11-17 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Crystal structure of human Cathepsin-S with bound ligand
To be published
|
|
5QCI
 | | Crystal structure of human Cathepsin-S with bound ligand | | Descriptor: | Cathepsin S, GLYCEROL, N-benzyl-1-{5-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]-2-methoxyphenyl}methanamine, ... | | Authors: | Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K. | | Deposit date: | 2017-08-04 | | Release date: | 2017-12-20 | | Last modified: | 2021-11-17 | | Method: | X-RAY DIFFRACTION (2.179 Å) | | Cite: | Crystal structure of human Cathepsin-S with bound ligand
To be published
|
|
2YKK
 | | Structure of a Paenibacillus Polymyxa Xyloglucanase from Glycoside Hydrolase Family 44 | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CEL44C, ... | | Authors: | Ariza, A, Eklof, J.M, Spadiut, O, Offen, W.A, Roberts, S.M, Besenmatter, W, Friis, E.P, Skjot, M, Wilson, K.S, Brumer, H, Davies, G. | | Deposit date: | 2011-05-27 | | Release date: | 2011-06-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Structure and Activity of Paenibacillus Polymyxa Xyloglucanase from Glycoside Hydrolase Family 44.
J.Biol.Chem., 286, 2011
|
|
5QI3
 | | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000475a | | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 14, ... | | Authors: | Schuller, M, Talon, R, Krojer, T, Brandao-Neto, J, Douangamath, A, Zhang, R, von Delft, F, Schuler, H, Kessler, B, Knapp, S, Bountra, C, Arrowsmith, C.H, Edwards, A, Elkins, J. | | Deposit date: | 2018-05-21 | | Release date: | 2019-04-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
|
|
5QCA
 | | Crystal structure of human Cathepsin-S with bound ligand | | Descriptor: | 1-{4-[(2-chloro-5-{1-[3-(4-cyclopropylpiperazin-1-yl)propyl]-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]phenyl}-N-[(4-chlorophenyl)methyl]methanamine, Cathepsin S, SULFATE ION | | Authors: | Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K. | | Deposit date: | 2017-08-04 | | Release date: | 2017-12-20 | | Last modified: | 2021-11-17 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Crystal structure of human Cathepsin-S with bound ligand
To be published
|
|
