5VFI
 
 | | Bruton's tyrosine kinase (BTK) with GDC-0853 | | Descriptor: | 1,2-ETHANEDIOL, 2-[3'-(hydroxymethyl)-1-methyl-5-({5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl}amino)-6-oxo[1,6-dihydro[3,4'-bipyridine]]-2'-yl]-7,7-dimethyl-3,4,7,8-tetrahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one, SULFATE ION, ... | | Authors: | Steinbacher, S, Eigenbrot, C. | | Deposit date: | 2017-04-07 | | Release date: | 2018-02-28 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Discovery of GDC-0853: A Potent, Selective, and Noncovalent Bruton's Tyrosine Kinase Inhibitor in Early Clinical Development.
J. Med. Chem., 61, 2018
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4OCN
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3UGH
 | | Crystal structure of a 6-SST/6-SFT from Pachysandra terminalis in complex with 6-kestose | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, SULFATE ION, ... | | Authors: | Lammens, W, Rabijns, A, Van Laere, A, Strelkov, S.V, Van den Ende, W. | | Deposit date: | 2011-11-02 | | Release date: | 2011-11-30 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of 6-SST/6-SFT from Pachysandra terminalis, a plant fructan biosynthesizing enzyme in complex with its acceptor substrate 6-kestose.
Plant J., 70, 2012
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4FGX
 | | Crystal structure of bace1 with novel inhibitor | | Descriptor: | Beta-secretase 1, DI(HYDROXYETHYL)ETHER, Inhibitor (2R,5S,8S,12S,13S,16S,19S,22S)-16-(3-amino-3-oxopropyl)-2,13-dibenzyl-12,22-dihydroxy-8-isobutyl-19-isopropyl-3,5,17-trimethyl-4,7,10,15,18,21-hexaoxo-3,6,9,14,17,20-hexaazatricosan-1-oic acid, ... | | Authors: | Chen, T.T, Chen, W.Y, Li, L, Xu, Y.C. | | Deposit date: | 2012-06-05 | | Release date: | 2013-01-16 | | Last modified: | 2021-09-15 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Cyanobacterial Peptides as a Prototype for the Design of Potent beta-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases
J.Med.Chem., 55, 2012
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3UJE
 | | Asymmetric complex of human neuron specific enolase-3-PGA/PEP | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-PHOSPHOGLYCERIC ACID, Gamma-enolase, ... | | Authors: | Qin, J, Chai, G, Brewer, J, Lovelace, L, Lebioda, L. | | Deposit date: | 2011-11-07 | | Release date: | 2012-08-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structures of asymmetric complexes of human neuron specific enolase with resolved substrate and product and an analogous complex with two inhibitors indicate subunit interaction and inhibitor cooperativity.
J.Inorg.Biochem., 111, 2012
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5VID
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4ONA
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5VJB
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4ONZ
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4OGX
 | | Crystal structure of Fab DX-2930 in complex with human plasma kallikrein at 2.4 Angstrom resolution | | Descriptor: | DX-2930 HEAVY CHAIN, DX-2930 LIGHT CHAIN, Plasma kallikrein, ... | | Authors: | Edwards, T.E, Clifton, M.C, Abendroth, J, Nixon, A, Ladner, R. | | Deposit date: | 2014-01-16 | | Release date: | 2014-07-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Inhibition of plasma kallikrein by a highly specific active site blocking antibody.
J.Biol.Chem., 289, 2014
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5VJU
 | | De Novo Photosynthetic Reaction Center Protein Variant Equipped with His-Tyr H-bond, Heme B, and Cd(II) ions | | Descriptor: | CADMIUM ION, PROTOPORPHYRIN IX CONTAINING FE, Reaction Center Maquette Leu71His variant | | Authors: | Ennist, N.M, Stayrook, S.E, Dutton, P.L, Moser, C.C. | | Deposit date: | 2017-04-19 | | Release date: | 2018-04-25 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | De novo protein design of photochemical reaction centers.
Nat Commun, 13, 2022
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3UIP
 | | Complex between human RanGAP1-SUMO1, UBC9 and the IR1 domain from RanBP2 containing IR2 Motif II | | Descriptor: | E3 SUMO-protein ligase RanBP2, Ran GTPase-activating protein 1, SUMO-conjugating enzyme UBC9, ... | | Authors: | Gareau, J.R, Reverter, D, Lima, C.D. | | Deposit date: | 2011-11-05 | | Release date: | 2011-12-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.293 Å) | | Cite: | Determinants of small ubiquitin-like modifier 1 (SUMO1) protein specificity, E3 ligase, and SUMO-RanGAP1 binding activities of nucleoporin RanBP2.
J.Biol.Chem., 287, 2012
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4FE6
 | | Crystal Structure of HIV-1 Protease in Complex with an enamino-oxindole inhibitor | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[({(3Z)-3-[1-(methylamino)ethylidene]-2-oxo-2,3-dihydro-1H-indol-5-yl}sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate, HIV protease | | Authors: | Silva, A.M, Eissenstat, M, Guerassina, T, Gulnik, S, Afonina, E, Yu, B, Erickson, J, Ludke, D, Yokoe, H. | | Deposit date: | 2012-05-29 | | Release date: | 2012-07-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Enamino-oxindole HIV protease inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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4FMT
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4OSP
 | | The crystal structure of urdamycin C-6 ketoreductase domain UrdMred with bound NADP and rabelomycin | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Oxygenase-reductase, rabelomycin | | Authors: | Niiranen, L, Paananen, P, Patrikainen, P, Metsa-Ketela, M. | | Deposit date: | 2014-02-13 | | Release date: | 2014-10-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure-based engineering of angucyclinone 6-ketoreductases.
Chem.Biol., 21, 2014
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4FO5
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6QQK
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4FO7
 | | Pseudomonas aeruginosa MetAP, in Mn form | | Descriptor: | MANGANESE (II) ION, Methionine aminopeptidase | | Authors: | Ye, Q.Z, Lu, J.P. | | Deposit date: | 2012-06-20 | | Release date: | 2013-07-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Methionine excision captured by the structures of a
methionine aminopeptidase
To be published
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4FPG
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3UXG
 | | Crystal structure of RFXANK | | Descriptor: | DNA-binding protein RFXANK, Histone deacetylase 4, UNKNOWN ATOM OR ION | | Authors: | Tempel, W, Chao, X, Bian, C, Li, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-12-05 | | Release date: | 2012-06-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Sequence-Specific Recognition of a PxLPxI/L Motif by an Ankyrin Repeat Tumbler Lock.
Sci.Signal., 5, 2012
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4FQ5
 | | Crystal structure of the maleate isomerase Iso(C200A) from Pseudomonas putida S16 with maleate | | Descriptor: | MALEIC ACID, Maleate cis-trans isomerase | | Authors: | Lu, Y, Chen, D, Zhang, Z, Li, Q, Wu, G, Xu, P. | | Deposit date: | 2012-06-25 | | Release date: | 2013-07-24 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and computational studies of the maleate isomerase from Pseudomonas putida S16 reveal a breathing motion wrapping the substrate inside.
Mol.Microbiol., 87, 2013
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5W2I
 | | Crystal structure of the core catalytic domain of human inositol phosphate multikinase soaked with C4-analogue of PtdIns(4,5)P2 and ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Inositol polyphosphate multikinase,Inositol polyphosphate multikinase, ... | | Authors: | Wang, H, Shears, S.B. | | Deposit date: | 2017-06-06 | | Release date: | 2017-09-13 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural features of human inositol phosphate multikinase rationalize its inositol phosphate kinase and phosphoinositide 3-kinase activities.
J. Biol. Chem., 292, 2017
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5VQE
 | | Beta-glucoside phosphorylase BglX bound to 2FGlc | | Descriptor: | 2-deoxy-2-fluoro-alpha-D-glucopyranose, Beta-glucoside phosphorylase BglX | | Authors: | Patel, A, Mark, B.L. | | Deposit date: | 2017-05-08 | | Release date: | 2018-01-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.889 Å) | | Cite: | Structural and mechanistic analysis of a beta-glycoside phosphorylase identified by screening a metagenomic library.
J. Biol. Chem., 293, 2018
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3UQ4
 | | X-ray structure of a pentameric ligand gated ion channel from Erwinia chrysanthemi (ELIC) mutant F247L (F16L) | | Descriptor: | Gamma-aminobutyric-acid receptor subunit beta-1, SODIUM ION | | Authors: | Gonzalez-Gutierrez, G, Lukk, T, Agarwal, V, Papke, D, Nair, S.K, Grosman, C. | | Deposit date: | 2011-11-19 | | Release date: | 2012-04-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Mutations that stabilize the open state of the Erwinia chrisanthemi ligand-gated ion channel fail to change the conformation of the pore domain in crystals.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4O6X
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