5NB6
 
 | | Complement factor D in complex with the inhibitor (2S,4S)-4-Amino-pyrrolidine-1,2-dicarboxylic acid 1-[(1-carbamoyl-1H-indol-3-yl)-amide] 2-[(3-trifluoromethoxy-phenyl)-amide] | | Descriptor: | (2~{S},4~{S})-~{N}1-(1-aminocarbonylindol-3-yl)-4-azanyl-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide, Complement factor D | | Authors: | Mac Sweeney, A, Ostermann, N. | | Deposit date: | 2017-03-01 | | Release date: | 2017-06-28 | | Last modified: | 2017-07-26 | | Method: | X-RAY DIFFRACTION (1.75 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
|
|
5NDZ
 | | Crystal structure of a thermostabilised human protease-activated receptor-2 (PAR2) in complex with AZ3451 at 3.6 angstrom resolution | | Descriptor: | 2-(6-bromanyl-1,3-benzodioxol-5-yl)-~{N}-(4-cyanophenyl)-1-[(1~{S})-1-cyclohexylethyl]benzimidazole-5-carboxamide, Lysozyme,Proteinase-activated receptor 2,Soluble cytochrome b562,Proteinase-activated receptor 2, SODIUM ION | | Authors: | Cheng, R.K.Y, Fiez-Vandal, C, Schlenker, O, Edman, K, Aggeler, B, Brown, D.G, Brown, G, Cooke, R.M, Dumelin, C.E, Dore, A.S, Geschwindner, S, Grebner, C, Hermansson, N.-O, Jazayeri, A, Johansson, P, Leong, L, Prihandoko, R, Rappas, M, Soutter, H, Snijder, A, Sundstrom, L, Tehan, B, Thornton, P, Troast, D, Wiggin, G, Zhukov, A, Marshall, F.H, Dekker, N. | | Deposit date: | 2017-03-09 | | Release date: | 2017-05-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Structural insight into allosteric modulation of protease-activated receptor 2.
Nature, 545, 2017
|
|
4U1R
 | |
5NKZ
 | | Crystal structure of H. polymorpha ubiquitin conjugating enzyme Pex4p in complex with soluble domain of Pex22p | | Descriptor: | Peroxin 22, Ubiquitin-conjugating enzyme E2-21 kDa | | Authors: | Danda, N, Lunev, S, Ali, A, Groves, M.R, Williams, C. | | Deposit date: | 2017-04-03 | | Release date: | 2018-01-24 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structural insights into K48-linked ubiquitin chain formation by the Pex4p-Pex22p complex.
Biochem. Biophys. Res. Commun., 496, 2018
|
|
5NN0
 | | Crystal structure of huBChE with N-((1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl)methyl)-N-(2-(dimethylamino)ethyl)-2-naphthamide. | | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Coquelle, N, Brus, B, Colletier, J.P. | | Deposit date: | 2017-04-07 | | Release date: | 2018-03-14 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Magic of Crystal Structure-Based Inhibitor Optimization: Development of a Butyrylcholinesterase Inhibitor with Picomolar Affinity and in Vivo Activity.
J. Med. Chem., 61, 2018
|
|
5NMB
 | | Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain | | Descriptor: | (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(1~{S})-1-[(2~{S},5~{R})-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]ethyl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | | Authors: | Rochel, N, Belorusova, A.Y. | | Deposit date: | 2017-04-05 | | Release date: | 2017-05-24 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain.
Eur J Med Chem, 134, 2017
|
|
5NO4
 | | RsgA-GDPNP bound to the 30S ribosomal subunit (RsgA assembly intermediate with uS3) | | Descriptor: | 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | | Authors: | Lopez-Alonso, J.P, Kaminishi, T, Kikuchi, T, Hirata, Y, Iturrioz, I, Dhimole, N, Schedlbauer, A, Hase, Y, Goto, S, Kurita, D, Muto, A, Zhou, S, Naoe, C, Mills, D.J, Gil-Carton, D, Takemoto, C, Himeno, H, Fucini, P, Connell, S.R. | | Deposit date: | 2017-04-10 | | Release date: | 2017-05-31 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (5.16 Å) | | Cite: | RsgA couples the maturation state of the 30S ribosomal decoding center to activation of its GTPase pocket.
Nucleic Acids Res., 45, 2017
|
|
5NNO
 | | Structure of TbALDH3 complexed with NAD and AN3057 aldehyde | | Descriptor: | 4-[(1-oxidanyl-3~{H}-2,1-benzoxaborol-5-yl)oxy]benzaldehyde, Aldehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Zoltner, M, Zhang, N, Horn, D, Field, M.C. | | Deposit date: | 2017-04-10 | | Release date: | 2017-04-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Host-parasite co-metabolic activation of antitrypanosomal aminomethyl-benzoxaboroles.
PLoS Pathog., 14, 2018
|
|
5NO2
 | | RsgA-GDPNP bound to the 30S ribosomal subunit (RsgA assembly intermediate) | | Descriptor: | 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | | Authors: | Lopez-Alonso, J.P, Kaminishi, T, Kikuchi, T, Hirata, Y, Iturrioz, I, Dhimole, N, Schedlbauer, A, Hase, Y, Goto, S, Kurita, D, Muto, A, Zhou, S, Naoe, C, Mills, D.J, Gil-Carton, D, Takemoto, C, Himeno, H, Fucini, P, Connell, S.R. | | Deposit date: | 2017-04-10 | | Release date: | 2017-05-24 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (5.16 Å) | | Cite: | RsgA couples the maturation state of the 30S ribosomal decoding center to activation of its GTPase pocket.
Nucleic Acids Res., 45, 2017
|
|
4OW3
 | | Thermolysin structure determined by free-electron laser | | Descriptor: | CALCIUM ION, Thermolysin, ZINC ION | | Authors: | Hattne, J, Echols, N, Tran, R, Kern, J, Gildea, R.J, Brewster, A.S, Alonso-Mori, R, Glockner, C, Hellmich, J, Laksmono, H, Sierra, R.G, Lassalle-Kaiser, B, Lampe, A, Han, G, Gul, S, DiFiore, D, Milathianaki, D, Fry, A.R, Miahnahri, A, White, W.E, Schafer, D.W, Seibert, M.M, Koglin, J.E, Sokaras, D, Weng, T.-C, Sellberg, J, Latimer, M.J, Glatzel, P, Zwart, P.H, Grosse-Kunstleve, R.W, Bogan, M.J, Messerschmidt, M, Williams, G.J, Boutet, S, Messinger, J, Zouni, A, Yano, J, Bergmann, U, Yachandra, V.K, Adams, P.D, Sauter, N.K. | | Deposit date: | 2014-01-30 | | Release date: | 2014-03-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Accurate macromolecular structures using minimal measurements from X-ray free-electron lasers.
Nat.Methods, 11, 2014
|
|
3V66
 | | HUMAN SQUALENE SYNTHASE IN COMPLEX WITH 2-(1-{2-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl}-4-piperidinyl)acetic acid | | Descriptor: | (1-{[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl}piperidin-4-yl)acetic acid, PHOSPHATE ION, Squalene synthase | | Authors: | Suzuki, M, Ohtsuka, M, Ohki, H, Haginoya, N, Itoh, M, Sugita, K, Usui, H, Ichikawa, M, Higashihashi, N. | | Deposit date: | 2011-12-18 | | Release date: | 2012-12-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of novel tricyclic compounds as squalene synthase inhibitors
Bioorg.Med.Chem., 20, 2012
|
|
4OKL
 | |
4UCE
 | | N-terminal globular domain of the RSV Nucleoprotein in complex with the Nucleoprotein Phosphoprotein interaction inhibitor M72 | | Descriptor: | 1-[(4-fluorophenyl)methyl]pyrazole-3,5-dicarboxylic acid, NUCLEOPROTEIN, SULFATE ION | | Authors: | Ouizougun-Oubari, M, Pereira, N, Tarus, B, Galloux, M, Tortorici, M.-A, Hoos, S, Baron, B, England, P, Bontems, F, Rey, F.A, Eleouet, J.-F, Sizun, C, Slama-Schwok, A, Duquerroy, S. | | Deposit date: | 2014-12-03 | | Release date: | 2015-08-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | A Druggable Pocket at the Nucleocapsid/Phosphoprotein Interaction Site of the Human Respiratory Syncytial Virus.
J.Virol., 89, 2015
|
|
4UCC
 | | N-terminal globular domain of the RSV Nucleoprotein in complex with the Nucleoprotein Phosphoprotein interaction inhibitor M76 | | Descriptor: | 1-[(2,4-dichlorophenyl)methyl]pyrazole-3,5-dicarboxylic acid, NUCLEOPROTEIN | | Authors: | Ouizougun-Oubari, M, Pereira, N, Tarus, B, Galloux, M, Tortorici, M.-A, Hoos, S, Baron, B, England, P, Bontems, F, Rey, F.A, Eleouet, J.-F, Sizun, C, Slama-Schwok, A, Duquerroy, S. | | Deposit date: | 2014-12-03 | | Release date: | 2015-08-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | A Druggable Pocket at the Nucleocapsid/Phosphoprotein Interaction Site of the Human Respiratory Syncytial Virus.
J.Virol., 89, 2015
|
|
4UC6
 | | N-terminal globular domain of the RSV Nucleoprotein | | Descriptor: | NUCLEOPROTEIN, SULFATE ION | | Authors: | Ouizougun-Oubari, M, Pereira, N, Tarus, B, Galloux, M, Tortorici, M.-A, Hoos, S, Baron, B, England, P, Bontems, F, Rey, F.A, Eleouet, J.-F, Sizun, C, Slama-Schwok, A, Duquerroy, S. | | Deposit date: | 2014-12-03 | | Release date: | 2015-08-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A Druggable Pocket at the Nucleocapsid/Phosphoprotein Interaction Site of the Human Respiratory Syncytial Virus.
J.Virol., 89, 2015
|
|
4UC7
 | | N-terminal globular domain of the RSV Nucleoprotein | | Descriptor: | NUCLEOPROTEIN, SULFATE ION | | Authors: | Ouizougun-Oubari, M, Pereira, N, Tarus, B, Galloux, M, Tortorici, M.-A, Hoos, S, Baron, B, England, P, Bontems, F, Rey, F.A, Eleouet, J.-F, Sizun, C, Slama-Schwok, A, Duquerroy, S. | | Deposit date: | 2014-12-03 | | Release date: | 2015-08-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | A Druggable Pocket at the Nucleocapsid/Phosphoprotein Interaction Site of the Human Respiratory Syncytial Virus.
J.Virol., 89, 2015
|
|
4UCB
 | | N-terminal globular domain of the RSV Nucleoprotein in complex with C- terminal peptide of the Phosphoprotein | | Descriptor: | NUCLEOPROTEIN, PHOSPHOSPROTEIN, SULFATE ION | | Authors: | Ouizougun-Oubari, M, Pereira, N, Tarus, B, Galloux, M, Tortorici, M.-A, Hoos, S, Baron, B, England, P, Bontems, F, Rey, F.A, Eleouet, J.-F, Sizun, C, Slama-Schwok, A, Duquerroy, S. | | Deposit date: | 2014-12-03 | | Release date: | 2015-08-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | A Druggable Pocket at the Nucleocapsid/Phosphoprotein Interaction Site of the Human Respiratory Syncytial Virus.
J.Virol., 89, 2015
|
|
4UC9
 | | N-terminal globular domain of the RSV Nucleoprotein in complex with C- terminal dipeptide of the Phosphoprotein | | Descriptor: | ASPARTIC ACID, NUCLEOPROTEIN, PHENYLALANINE, ... | | Authors: | Ouizougun-Oubari, M, Pereira, N, Tarus, B, Galloux, M, Tortorici, M.-A, Hoos, S, Baron, B, England, P, Bontems, F, Rey, F.A, Eleouet, J.-F, Sizun, C, Slama-Schwok, A, Duquerroy, S. | | Deposit date: | 2014-12-03 | | Release date: | 2015-08-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A Druggable Pocket at the Nucleocapsid/Phosphoprotein Interaction Site of the Human Respiratory Syncytial Virus.
J.Virol., 89, 2015
|
|
4UCD
 | | N-terminal globular domain of the RSV Nucleoprotein in complex with the Nucleoprotein Phosphoprotein interaction inhibitor M81 | | Descriptor: | 1-[(2-chlorophenyl)methyl]pyrazole-3,5-dicarboxylic acid, NUCLEOPROTEIN, SULFATE ION | | Authors: | Ouizougun-Oubari, M, Pereira, N, Tarus, B, Galloux, M, Tortorici, M.-A, Hoos, S, Baron, B, England, P, Bontems, F, Rey, F.A, Eleouet, J.-F, Sizun, C, Slama-Schwok, A, Duquerroy, S. | | Deposit date: | 2014-12-03 | | Release date: | 2015-08-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | A Druggable Pocket at the Nucleocapsid/Phosphoprotein Interaction Site of the Human Respiratory Syncytial Virus.
J.Virol., 89, 2015
|
|
4UCA
 | | N-terminal globular domain of the RSV Nucleoprotein in complex with C- terminal peptide of the Phosphoprotein | | Descriptor: | NUCLEOPROTEIN, PHOSPHOSPROTEIN, SULFATE ION | | Authors: | Ouizougun-Oubari, M, Pereira, N, Tarus, B, Galloux, M, Tortorici, M.-A, Hoos, S, Baron, B, England, P, Bontems, F, Rey, F.A, Eleouet, J.-F, Sizun, C, Slama-Schwok, A, Duquerroy, S. | | Deposit date: | 2014-12-03 | | Release date: | 2015-08-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.22 Å) | | Cite: | A Druggable Pocket at the Nucleocapsid/Phosphoprotein Interaction Site of the Human Respiratory Syncytial Virus.
J.Virol., 89, 2015
|
|
4UC8
 | | N-terminal globular domain of the RSV Nucleoprotein in complex with C- terminal phenylalanine of the Phosphoprotein | | Descriptor: | GLYCEROL, NUCLEOPROTEIN, PHENYLALANINE, ... | | Authors: | Ouizougun-Oubari, M, Pereira, N, Tarus, B, Galloux, M, Tortorici, M.-A, Hoos, S, Baron, B, England, P, Bontems, F, Rey, F.A, Eleouet, J.-F, Sizun, C, Slama-Schwok, A, Duquerroy, S. | | Deposit date: | 2014-12-03 | | Release date: | 2015-08-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A Druggable Pocket at the Nucleocapsid/Phosphoprotein Interaction Site of the Human Respiratory Syncytial Virus.
J.Virol., 89, 2015
|
|
6KE9
 | | The Human Telomeric Nucleosome Displays Distinct Structural and Dynamic Properties | | Descriptor: | Histone H2A type 1-B/E, Histone H2B type 1-K, Histone H3.1, ... | | Authors: | Soman, A, Liew, C.W, Teo, H.L, Berezhnoy, N, Korolev, N, Rhodes, D, Nordenskiold, L. | | Deposit date: | 2019-07-04 | | Release date: | 2020-04-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | The human telomeric nucleosome displays distinct structural and dynamic properties.
Nucleic Acids Res., 48, 2020
|
|
6KOS
 | |
1AD2
 | | RIBOSOMAL PROTEIN L1 MUTANT WITH SERINE 179 REPLACED BY CYSTEINE | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, MERCURY (II) ION, RIBOSOMAL PROTEIN L1, ... | | Authors: | Unge, J, Al-Karadaghi, S, Liljas, A, Jonsson, B.-H, Eliseikina, I, Ossina, N, Nevskaya, N, Fomenkova, N, Garber, M, Nikonov, S. | | Deposit date: | 1997-02-20 | | Release date: | 1997-05-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A mutant form of the ribosomal protein L1 reveals conformational flexibility.
FEBS Lett., 411, 1997
|
|
8Y6H
 | | P-glycoprotein in complex with UIC2 Fab and triple elacridar molecules in LMNG detergent | | Descriptor: | ATP-dependent translocase ABCB1,mNeonGreen, UIC2 Fab heavy chain, UIC2 Fab light chain, ... | | Authors: | Hamaguchi-Suzuki, N, Adachi, N, Moriya, T, Kawasaki, M, Suzuki, K, Anzai, N, Senda, T, Murata, T. | | Deposit date: | 2024-02-02 | | Release date: | 2024-04-17 | | Method: | ELECTRON MICROSCOPY (2.49 Å) | | Cite: | Cryo-EM structure of P-glycoprotein bound to triple elacridar inhibitor molecules.
Biochem.Biophys.Res.Commun., 709, 2024
|
|
