7HVP
 
 | | X-RAY CRYSTALLOGRAPHIC STRUCTURE OF A COMPLEX BETWEEN A SYNTHETIC PROTEASE OF HUMAN IMMUNODEFICIENCY VIRUS 1 AND A SUBSTRATE-BASED HYDROXYETHYLAMINE INHIBITOR | | Descriptor: | HIV-1 PROTEASE, INHIBITOR ACE-SER-LEU-ASN-PHE-PSI(CH(OH)-CH2N)-PRO-ILE VME (JG-365) | | Authors: | Swain, A.L, Miller, M.M, Green, J, Rich, D.H, Schneider, J, Kent, S.B.H, Wlodawer, A. | | Deposit date: | 1990-09-13 | | Release date: | 1993-07-15 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | X-ray crystallographic structure of a complex between a synthetic protease of human immunodeficiency virus 1 and a substrate-based hydroxyethylamine inhibitor.
Proc.Natl.Acad.Sci.USA, 87, 1990
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3KLY
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5ZHP
 | | M3 muscarinic acetylcholine receptor in complex with a selective antagonist | | Descriptor: | (1R,2R,4S,5S,7s)-7-({[4-fluoro-2-(thiophen-2-yl)phenyl]carbamoyl}oxy)-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-9-ium, CITRIC ACID, HEXAETHYLENE GLYCOL, ... | | Authors: | Liu, H, Hofmann, J, Fish, I, Schaake, B, Eitel, K, Bartuschat, A, Kaindl, J, Rampp, H, Banerjee, A, Hubner, H, Clark, M.J, Vincent, S.G, Fisher, J, Heinrich, M, Hirata, K, Liu, X, Sunahara, R.K, Shoichet, B.K, Kobilka, B.K, Gmeiner, P. | | Deposit date: | 2018-03-13 | | Release date: | 2018-11-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure-guided development of selective M3 muscarinic acetylcholine receptor antagonists
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5GIV
 | | Crystal structure of M32 carboxypeptidase from Deinococcus radiodurans R1 | | Descriptor: | ACETATE ION, Carboxypeptidase 1, ZINC ION | | Authors: | Sharma, B, Singh, R, Yadav, P, Ghosh, B, Kumar, A, Jamdar, S.N, Makde, R.D. | | Deposit date: | 2016-06-25 | | Release date: | 2017-07-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Active site gate of M32 carboxypeptidases illuminated by crystal structure and molecular dynamics simulations
Biochim. Biophys. Acta, 1865, 2017
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4PG6
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6HQ1
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6GWC
 | | Tubulin:iE5 alphaRep complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ALPHA-TUBULIN, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Gigant, B, Campanacci, V. | | Deposit date: | 2018-06-22 | | Release date: | 2019-01-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Selection and Characterization of Artificial Proteins Targeting the Tubulin alpha Subunit.
Structure, 27, 2019
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2WLO
 | | POTASSIUM CHANNEL FROM MAGNETOSPIRILLUM MAGNETOTACTICUM | | Descriptor: | POTASSIUM CHANNEL, POTASSIUM ION | | Authors: | Clarke, O.B, Caputo, A.T, Smith, B.J, Gulbis, J.M. | | Deposit date: | 2009-06-24 | | Release date: | 2010-06-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (4.036 Å) | | Cite: | Domain Reorientation and Rotation of an Intracellular Assembly Regulate Conduction in Kir Potassium Channels.
Cell(Cambridge,Mass.), 141, 2010
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5DIE
 | | Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a trifluoro-substituted A-CD ring estrogen derivative (1S,3aR,5S,7aS)-7a-methyl-5-(2,3,5-trifluoro-4-hydroxyphenyl)octahydro-1H-inden-1-ol | | Descriptor: | (1S,3aR,5S,7aS)-7a-methyl-5-(2,3,5-trifluoro-4-hydroxyphenyl)octahydro-1H-inden-1-ol, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | | Deposit date: | 2015-08-31 | | Release date: | 2016-05-04 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
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6H02
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6I33
 | | Crystal structure of human glycine decarboxylase (P-protein) | | Descriptor: | 1,2-ETHANEDIOL, BICARBONATE ION, Glycine dehydrogenase (decarboxylating), ... | | Authors: | Van Laer, B, Kapp, U, Leonard, G, Mueller-Dieckmann, C. | | Deposit date: | 2018-11-05 | | Release date: | 2019-11-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural insights in human glycine decarboxylase and comparison with the Neanderthal variant
To Be Published
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2WRZ
 | | Crystal structure of an arabinose binding protein with designed serotonin binding site in open, ligand-free state | | Descriptor: | L-ARABINOSE-BINDING PERIPLASMIC PROTEIN | | Authors: | Schreier, B, Stumpp, C, Wiesner, S, Hocker, B. | | Deposit date: | 2009-09-03 | | Release date: | 2009-10-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The Computational Design of Ligand Binding is not a Solved Problem
Proc.Natl.Acad.Sci.USA, 106, 2009
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6C48
 | | Crystal structure of B-Myb-LIN9-LIN52 complex | | Descriptor: | Myb-related protein B, Protein lin-52 homolog, Protein lin-9 homolog, ... | | Authors: | Guiley, K.Z, Tripathi, S.M, Rubin, S.M. | | Deposit date: | 2018-01-11 | | Release date: | 2018-09-19 | | Last modified: | 2019-12-04 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Structural mechanism of Myb-MuvB assembly.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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2X05
 | | Inhibition of the exo-beta-D-glucosaminidase CsxA by a glucosamine- configured castanospermine and an amino-australine analogue | | Descriptor: | AMINO-CASTANOSPERMINE, CADMIUM ION, EXO-BETA-D-GLUCOSAMINIDASE | | Authors: | Pluvinage, B, Ghinet, M.G, Brzezinski, R, Boraston, A.B, Stubbs, K.A. | | Deposit date: | 2009-12-05 | | Release date: | 2009-12-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Inhibition of the Exo-Beta-D-Glucosaminidase Csxa by a Glucosamine-Configured Castanospermine and an Amino-Australine Analogue.
Org.Biomol.Chem., 7, 2009
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5VVB
 | | Structure of human endothelial nitric oxide synthase heme domain in complex with 4-(2-(((2-Aminoquinolin-7-yl)methyl)amino)ethyl)-2-methylbenzonitrile | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)-2-methylbenzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2017-05-19 | | Release date: | 2017-08-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors.
J. Med. Chem., 60, 2017
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5VWI
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1EUY
 | | GLUTAMINYL-TRNA SYNTHETASE COMPLEXED WITH A TRNA MUTANT AND AN ACTIVE SITE INHIBITOR | | Descriptor: | 5'-O-[N-(L-GLUTAMINYL)-SULFAMOYL]ADENOSINE, GLUTAMINYL TRNA, GLUTAMINYL-TRNA SYNTHETASE | | Authors: | Sherlin, L.D, Bullock, T.L, Newberry, K.J, Lipman, R.S.A, Hou, Y.-M, Beijer, B, Sproat, B.S, Perona, J.J. | | Deposit date: | 2000-04-19 | | Release date: | 2000-06-04 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Influence of transfer RNA tertiary structure on aminoacylation efficiency by glutaminyl and cysteinyl-tRNA synthetases.
J.Mol.Biol., 299, 2000
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5VQP
 | | Crystal structure of human pro-TGF-beta1 | | Descriptor: | Transforming growth factor beta-1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Zhao, B, Xu, S, Dong, X, Lu, C, Springer, T.A. | | Deposit date: | 2017-05-09 | | Release date: | 2017-11-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Prodomain-growth factor swapping in the structure of pro-TGF-beta 1.
J. Biol. Chem., 293, 2018
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4PH9
 | | The structure of Ibuprofen bound to cyclooxygenase-2 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Orlando, B.J, Lucido, M.J, Malkowski, M.G. | | Deposit date: | 2014-05-05 | | Release date: | 2014-11-26 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | The structure of ibuprofen bound to cyclooxygenase-2.
J.Struct.Biol., 189, 2015
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5BYN
 | | Canavalia maritima lectin complexed with synthetic selenoamino acid | | Descriptor: | (4R)-4-{[(S)-tert-butoxy(hydroxy)methyl]amino}-5-[(1S)-cyclohex-2-en-1-ylselanyl]pentane-1,1-diol, 1,2-ETHANEDIOL, CADMIUM ION, ... | | Authors: | Nobrega, R.B, Silva-Filho, J.C, Kawasoko, C.Y, Rodrigues, O.E.D, Schwab, R.S, Braga, A.L, Delatorre, P, Cavada, B.S. | | Deposit date: | 2015-06-10 | | Release date: | 2015-11-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.651 Å) | | Cite: | Canavalia maritima lectin complexed with synthetic selenoamino acid
To Be Published
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4PG5
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7JH4
 | | Crystal structure of NAD(P)H-flavin oxidoreductase (NfoR) from S. aureus complexed with reduced FMN and NAD+ | | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, NAD(P)H-dependent oxidoreductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Zheng, Y, O'Neill, A.G, Beaupre, B.A, Liu, D, Moran, G.R. | | Deposit date: | 2020-07-20 | | Release date: | 2020-09-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | NfoR: Chromate Reductase or Flavin Mononucleotide Reductase?
Appl.Environ.Microbiol., 86, 2020
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5C0Q
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7M5M
 | | PCNA bound to peptide mimetic | | Descriptor: | N-BUTANE, Peptide mimetic (ACE)RQCSMTCFYHSK(NH2) with linker, Proliferating cell nuclear antigen | | Authors: | Vandborg, B.A, Bruning, J.B. | | Deposit date: | 2021-03-24 | | Release date: | 2021-08-11 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | A cell permeable bimane-constrained PCNA-interacting peptide.
Rsc Chem Biol, 2, 2021
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3EH8
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