5A8E
 
 | | thermostabilised beta1-adrenoceptor with rationally designed inverse agonist 7-methylcyanopindolol bound | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-7-methyl-1H-indole-2-carbonitrile, ... | | Authors: | Sato, T, Baker, J.G, Warne, T, Brown, G.A, Congreve, M, Leslie, A.G.W, Tate, C.G. | | Deposit date: | 2015-07-15 | | Release date: | 2015-09-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Pharmacological Analysis and Structure Determination of 7-Methylcyanopindolol-Bound Beta1-Adrenergic Receptor.
Mol.Pharmacol., 88, 2015
|
|
5A5C
 | | Structure of an engineered neuronal LRRTM2 adhesion molecule | | Descriptor: | LRRTM | | Authors: | Paatero, A, Rosti, K, Shkumatov, A.V, Brunello, C, Kysenius, K, Huttunen, H, Kajander, T. | | Deposit date: | 2015-06-17 | | Release date: | 2016-02-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.097 Å) | | Cite: | Crystal Structure of an Engineered Lrrtm2 Synaptic Adhesion Molecule and a Model for Neurexin Binding.
Biochemistry, 55, 2016
|
|
4ULW
 | |
7KJS
 | | Crystal structure of CDK2/cyclin E in complex with PF-06873600 | | Descriptor: | 6-(difluoromethyl)-8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | | Authors: | McTigue, M.A, He, Y, Ferre, R.A. | | Deposit date: | 2020-10-26 | | Release date: | 2021-06-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.187 Å) | | Cite: | Discovery of PF-06873600, a CDK2/4/6 Inhibitor for the Treatment of Cancer.
J.Med.Chem., 64, 2021
|
|
6STW
 | |
1ALA
 | |
6BUZ
 | | Cryo-EM structure of CENP-A nucleosome in complex with kinetochore protein CENP-N | | Descriptor: | DNA (147-MER), Histone H2A, Histone H2B, ... | | Authors: | Chittori, S, Hong, J, Kelly, A.E, Bai, Y, Subramaniam, S. | | Deposit date: | 2017-12-11 | | Release date: | 2017-12-20 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.92 Å) | | Cite: | Structural mechanisms of centromeric nucleosome recognition by the kinetochore protein CENP-N.
Science, 359, 2018
|
|
4UMT
 | | Structure of MELK in complex with inhibitors | | Descriptor: | 1-(4-{[3-(isoquinolin-7-yl)prop-2-yn-1-yl]oxy}-2-methoxybenzyl)piperazinediium, DIMETHYL SULFOXIDE, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE | | Authors: | Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M. | | Deposit date: | 2014-05-21 | | Release date: | 2014-10-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structure-Based Design of Type II Inhibitors Applied to Maternal Embryonic Leucine Zipper Kinase.
Acs Med.Chem.Lett., 6, 2015
|
|
6BWK
 | |
6KAC
 | | Cryo-EM structure of the C2S2-type PSII-LHCII supercomplex from Chlamydomonas reihardtii | | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | | Authors: | Sheng, X, Li, A.J, Song, D.F, Liu, Z.F. | | Deposit date: | 2019-06-21 | | Release date: | 2019-10-23 | | Last modified: | 2019-12-25 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structural insight into light harvesting for photosystem II in green algae.
Nat.Plants, 5, 2019
|
|
4ZT0
 | |
5VRA
 | | 2.35-Angstrom In situ Mylar structure of human A2A adenosine receptor at 100 K | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ... | | Authors: | Broecker, J, Morizumi, T, Ou, W.-L, Klingel, V, Kuo, A, Kissick, D.J, Ishchenko, A, Lee, M.-Y, Xu, S, Makarov, O, Cherezov, V, Ogata, C.M, Ernst, O.P. | | Deposit date: | 2017-05-10 | | Release date: | 2017-12-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | High-throughput in situ X-ray screening of and data collection from protein crystals at room temperature and under cryogenic conditions.
Nat Protoc, 13, 2018
|
|
7Z10
 | | Monomeric respiratory complex IV isolated from S. cerevisiae | | Descriptor: | COPPER (II) ION, CYTOCHROME C OXIDASE SUBUNIT 3; SYNONYM: CYTOCHROME C OXIDASE POLYPEPTIDE III, COX3, ... | | Authors: | Marechal, A, Hartley, A, Ing, G, Pinotsis, N. | | Deposit date: | 2022-02-24 | | Release date: | 2022-08-03 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.87 Å) | | Cite: | Cryo-EM structure of a monomeric yeast S. cerevisiae complex IV isolated with maltosides: Implications in supercomplex formation.
Biochim Biophys Acta Bioenerg, 1863, 2022
|
|
6ERI
 | | Structure of the chloroplast ribosome with chl-RRF and hibernation-promoting factor | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10 alpha, ... | | Authors: | Perez Borema, A, Aibara, S, Paul, B, Tobiasson, V, Kimanius, D, Forsberg, B.O, Wallden, K, Lindahl, E, Amunts, A. | | Deposit date: | 2017-10-18 | | Release date: | 2018-04-18 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structure of the chloroplast ribosome with chl-RRF and hibernation-promoting factor.
Nat Plants, 4, 2018
|
|
4UMQ
 | | Structure of MELK in complex with inhibitors | | Descriptor: | 3-{5-[(3-hydroxy-5-methoxyphenyl)amino]-2-(phenylcarbamoyl)phenoxy}propan-1-aminium, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE | | Authors: | Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M. | | Deposit date: | 2014-05-20 | | Release date: | 2014-10-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase
Acs Med.Chem.Lett., 6, 2015
|
|
7Z53
 | |
7KKZ
 | | Crystal structure of mouse anti-HIV potent neutralizing antibody M4H2K1 | | Descriptor: | 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Heavy chain of Fab fragment of mouse monoclonal antibody M4H2K1, ... | | Authors: | Kumar, S, Wilson, I.A. | | Deposit date: | 2020-10-28 | | Release date: | 2021-07-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Neutralizing Antibodies Induced by First-Generation gp41-Stabilized HIV-1 Envelope Trimers and Nanoparticles.
Mbio, 12, 2021
|
|
5L4Q
 | | Crystal Structure of Adaptor Protein 2 Associated Kinase 1 (AAK1) in Complex with LKB1 (AAK1 Dual Inhibitor) | | Descriptor: | 1,2-ETHANEDIOL, AP2-associated protein kinase 1, ~{N}-[5-(4-cyanophenyl)-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide | | Authors: | Sorrell, F.J, Williams, E, Fox, N, Abdul Azeez, K.R, Gileadi, O, von Delft, F, Edwards, A.M, Bountra, C, Elkins, J.M, Knapp, S. | | Deposit date: | 2016-05-26 | | Release date: | 2016-06-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Synthesis and Structure-Activity Relationships of 3,5-Disubstituted-pyrrolo[2,3- b]pyridines as Inhibitors of Adaptor-Associated Kinase 1 with Antiviral Activity.
J.Med.Chem., 2019
|
|
5HJO
 | | Murine endoplasmic reticulum alpha-glucosidase II with bound substrate analogue | | Descriptor: | 1,2-ETHANEDIOL, 2-deoxy-alpha-D-arabino-hexopyranose-(1-3)-D-glucal, ACETATE ION, ... | | Authors: | Caputo, A.T, Roversi, P, Alonzi, D.S, Kiappes, J.L, Zitzmann, N. | | Deposit date: | 2016-01-13 | | Release date: | 2016-07-27 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Structures of mammalian ER alpha-glucosidase II capture the binding modes of broad-spectrum iminosugar antivirals.
Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
6CGM
 | |
1AF8
 | | ACTINORHODIN POLYKETIDE SYNTHASE ACYL CARRIER PROTEIN FROM STREPTOMYCES COELICOLOR A3(2), NMR, 24 STRUCTURES | | Descriptor: | ACTINORHODIN POLYKETIDE SYNTHASE ACYL CARRIER PROTEIN | | Authors: | Crump, M.P, Crosby, J, Dempsey, C.E, Parkinson, J.A, Murray, M, Hopwood, D.A, Simpson, T.J. | | Deposit date: | 1997-03-23 | | Release date: | 1997-09-26 | | Last modified: | 2024-04-10 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the actinorhodin polyketide synthase acyl carrier protein from Streptomyces coelicolor A3(2).
Biochemistry, 36, 1997
|
|
1A3J
 | | X-RAY CRYSTALLOGRAPHIC DETERMINATION OF A COLLAGEN-LIKE PEPTIDE WITH THE REPEATING SEQUENCE (PRO-PRO-GLY) | | Descriptor: | COLLAGEN-LIKE PEPTIDE | | Authors: | Kramer, R.Z, Vitagliano, L, Bella, J, Berisio, R, Mazzarella, L, Brodsky, B, Zagari, A, Berman, H.M. | | Deposit date: | 1998-01-22 | | Release date: | 1998-05-06 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | X-ray crystallographic determination of a collagen-like peptide with the repeating sequence (Pro-Pro-Gly).
J.Mol.Biol., 280, 1998
|
|
7Z3A
 | | AMC009 SOSIPv5.2 in complex with Fabs ACS101 and ACS124 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACS101 heavy chain, ... | | Authors: | van Schooten, J, Ward, A. | | Deposit date: | 2022-03-02 | | Release date: | 2022-08-10 | | Last modified: | 2022-08-17 | | Method: | ELECTRON MICROSCOPY (3.95 Å) | | Cite: | Identification of IOMA-class neutralizing antibodies targeting the CD4-binding site on the HIV-1 envelope glycoprotein.
Nat Commun, 13, 2022
|
|
7YXA
 | | XFEL crystal structure of the human sphingosine 1 phosphate receptor 5 in complex with ONO-5430608 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[6-(2-naphthalen-1-ylethoxy)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-3-yl]butanoic acid, ... | | Authors: | Lyapina, E, Marin, E, Gusach, A, Orekhov, P, Gerasimov, A, Luginina, A, Vakhrameev, D, Ergasheva, M, Kovaleva, M, Khusainov, G, Khorn, P, Shevtsov, M, Kovalev, K, Okhrimenko, I, Bukhdruker, S, Popov, P, Hu, H, Weierstall, U, Liu, W, Cho, Y, Gushchin, I, Rogachev, A, Bourenkov, G, Park, S, Park, G, Huyn, H.J, Park, J, Gordeliy, V, Borshchevskiy, V, Mishin, A, Cherezov, V. | | Deposit date: | 2022-02-15 | | Release date: | 2022-08-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis for receptor selectivity and inverse agonism in S1P 5 receptors.
Nat Commun, 13, 2022
|
|
6T1M
 | | Crystal structure of MLLT1 (ENL) YEATS domain in complexed with benzimidazole-amide derivative 4 | | Descriptor: | 1,2-ETHANEDIOL, 4-cyano-~{N}-[2-(piperidin-1-ylmethyl)-1~{H}-benzimidazol-5-yl]benzamide, Protein ENL | | Authors: | Chaikuad, A, Heidenreich, D, Moustakim, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-10-04 | | Release date: | 2019-11-06 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural Insights into Interaction Mechanisms of Alternative Piperazine-urea YEATS Domain Binders in MLLT1.
Acs Med.Chem.Lett., 10, 2019
|
|
