4TW3
 
 | | Insights into Substrate and Metal Binding from the Crystal Structure of Cyanobacterial Aldehyde Deformylating Oxygenase with Substrate Bound | | Descriptor: | 1,2-ETHANEDIOL, Aldehyde decarbonylase, FE (III) ION, ... | | Authors: | Buer, B.C, Paul, B, Das, D, Stuckey, J.A, Marsh, E.N.G. | | Deposit date: | 2014-06-29 | | Release date: | 2014-10-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Insights into substrate and metal binding from the crystal structure of cyanobacterial aldehyde deformylating oxygenase with substrate bound.
Acs Chem.Biol., 9, 2014
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4TWC
 | | 2-Benzamido-N-(1H-benzo[d]imidazol-2-yl)thiazole-4- carboxamide derivatives as potent inhibitors of CK1d/e | | Descriptor: | 2-{[2-(trifluoromethoxy)benzoyl]amino}-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide, Casein kinase I isoform delta, DIMETHYL SULFOXIDE, ... | | Authors: | Bischof, J, Leban, L, Zaja, M, Grothey, A, Radunsky, B, Othersen, O, Strobl, S, Vitt, D, Knippschild, U. | | Deposit date: | 2014-06-30 | | Release date: | 2014-10-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | 2-Benzamido-N-(1H-benzo[d]imidazol-2-yl)thiazole-4-carboxamide derivatives as potent inhibitors of CK1d/e.
Amino Acids, 43, 2012
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4TWK
 | | Crystal structure of human two pore domain potassium ion channel TREK1 (K2P2.1) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Octyl Glucose Neopentyl Glycol, ... | | Authors: | Pike, A.C.W, Dong, Y.Y, Tessitore, A, Goubin, S, Strain-Damerell, C, Mukhopadhyay, S, Kupinska, K, Wang, D, Chalk, R, Berridge, G, Grieben, M, Shrestha, L, Ang, J.H, Mackenzie, A, Quigley, A, Bushell, S.R, Shintre, C.A, Faust, B, Chu, A, Dong, L, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Carpenter, E.P. | | Deposit date: | 2014-06-30 | | Release date: | 2014-08-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of human two pore domain potassium ion channel TREK1 (K2P2.1)
To Be Published
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4U02
 | | Crystal structure of apo-TTHA1159 | | Descriptor: | Amino acid ABC transporter, ATP-binding protein, SULFATE ION | | Authors: | Karthiga Devi, S, Chichili, V.P.R, Velmurugan, D, Sivaraman, J. | | Deposit date: | 2014-07-11 | | Release date: | 2015-05-13 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.399 Å) | | Cite: | Structural basis for the hydrolysis of ATP by a nucleotide binding subunit of an amino acid ABC transporter from Thermus thermophilus
J.Struct.Biol., 190, 2015
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4TW9
 | | Difluoro-dioxolo-benzoimidazol-benzamides as potent inhibitors of CK1delta and epsilon with nanomolar inhibitory activity on cancer cell proliferation | | Descriptor: | CHLORIDE ION, Casein kinase I isoform delta, N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-{[2-(trifluoromethoxy)benzoyl]amino}-1,3-thiazole-4-carboxamide, ... | | Authors: | Richter, J, Bischof, J, Zaja, M, Kohlhof, H, Othersen, O, Vitt, D, Alscher, V, Pospiech, I, Garcia-Reyes, B, Berg, S, Leban, J, Knippschild, U. | | Deposit date: | 2014-06-30 | | Release date: | 2014-07-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Difluoro-dioxolo-benzoimidazol-benzamides As Potent Inhibitors of CK1 delta and epsilon with Nanomolar Inhibitory Activity on Cancer Cell Proliferation.
J.Med.Chem., 57, 2014
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4TVK
 | | TORPEDO CALIFORNICA ACETYLCHOLINESTERASE IN COMPLEX WITH A CHLOROTACRINE-JUGLONE HYBRID INHIBITOR | | Descriptor: | 2-({2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethyl}amino)-5-hydroxynaphthalene-1,4-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Pesaresi, A, Samez, S, Lamba, D. | | Deposit date: | 2014-06-27 | | Release date: | 2014-10-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Multitarget Drug Design Strategy: Quinone-Tacrine Hybrids Designed To Block Amyloid-beta Aggregation and To Exert Anticholinesterase and Antioxidant Effects.
J.Med.Chem., 57, 2014
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4TW5
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6O0C
 | | NMR ensemble of computationally designed protein XAA_GVDQ mutant M4L | | Descriptor: | Design construct XAA_GVDQ mutant M4L | | Authors: | Wei, K.Y, Moschidi, D, Nerli, S, Sgourakis, N, Baker, D. | | Deposit date: | 2019-02-15 | | Release date: | 2020-04-22 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Computational design of closely related proteins that adopt two well-defined but structurally divergent folds.
Proc.Natl.Acad.Sci.USA, 117, 2020
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4TZ7
 | | Crystal structure of type I phosphatidylinositol 4-phosphate 5-kinase alpha from Zebrafish | | Descriptor: | Phosphatidylinositol-4-phosphate 5-kinase, type I, alpha | | Authors: | Hu, J, Qin, Y, Wang, J, Li, L, Wu, D, Ha, Y. | | Deposit date: | 2014-07-09 | | Release date: | 2015-09-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.31 Å) | | Cite: | Resolution of structure of PIP5K1A reveals molecular mechanism for its regulation by dimerization and dishevelled.
Nat Commun, 6, 2015
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4U2X
 | | Ebola virus VP24 in complex with Karyopherin alpha 5 C-terminus | | Descriptor: | CHLORIDE ION, Importin subunit alpha-6, Membrane-associated protein VP24 | | Authors: | Xu, W, Leung, D, Borek, D, Amarasinghe, G. | | Deposit date: | 2014-07-18 | | Release date: | 2014-08-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.153 Å) | | Cite: | Ebola Virus VP24 Targets a Unique NLS Binding Site on Karyopherin Alpha 5 to Selectively Compete with Nuclear Import of Phosphorylated STAT1.
Cell Host Microbe, 16, 2014
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4U9P
 | | Structure of the methanofuran/methanopterin biosynthetic enzyme MJ1099 from Methanocaldococcus jannaschii | | Descriptor: | GLYCEROL, UPF0264 protein MJ1099 | | Authors: | Bobik, T.A, Morales, E, Shin, A, Cascio, D, Sawaya, M.R, Arbing, M, Rasche, M.E. | | Deposit date: | 2014-08-06 | | Release date: | 2014-11-12 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure of the methanofuran/methanopterin-biosynthetic enzyme MJ1099 from Methanocaldococcus jannaschii.
Acta Crystallogr.,Sect.F, 70, 2014
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4U92
 | | Crystal structure of a DNA/Ba2+ G-quadruplex containing a water-mediated C-tetrad | | Descriptor: | BARIUM ION, DNA (5'-D(*CP*CP*AP*KP*GP*CP*GP*TP*GP*G)-3'), MAGNESIUM ION | | Authors: | Paukstelis, P.J, Zhang, D, Huang, T, Lukeman, P. | | Deposit date: | 2014-08-05 | | Release date: | 2014-11-26 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of a DNA/Ba2+ G-quadruplex containing a water-mediated C-tetrad.
Nucleic Acids Res., 42, 2014
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4UCU
 | | Fragment bound to H.influenza NAD dependent DNA ligase | | Descriptor: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 8-hydroxyquinoline-2-carboxylic acid, DNA LIGASE | | Authors: | Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A. | | Deposit date: | 2014-12-04 | | Release date: | 2015-10-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
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4TVA
 | | Universal Pathway for Post-Transfer Editing Reactions: Insight from Crystal structure of TthPheRS with Puromycine | | Descriptor: | PHENYLALANINE, PUROMYCIN, Phenylalanine--tRNA ligase alpha subunit, ... | | Authors: | Safro, M, Klipcan, L, Tworowski, D, Peretz, M. | | Deposit date: | 2014-06-26 | | Release date: | 2015-03-18 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.597 Å) | | Cite: | Universal pathway for posttransfer editing reactions: Insights from the crystal structure of TtPheRS with puromycin.
Proc.Natl.Acad.Sci.USA, 112, 2015
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4TWR
 | | Structure of UDP-glucose 4-epimerase from Brucella abortus | | Descriptor: | NAD binding site:NAD-dependent epimerase/dehydratase:UDP-glucose 4-epimerase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION | | Authors: | Horanyi, P.S, Abendroth, J, Lorimer, D, Edwards, T, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2014-07-01 | | Release date: | 2014-10-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of UDP-glucose 4-epimerase from Brucella melitensis
To Be Published
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4U4A
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8EG6
 | | huCaspase-6 in complex with inhibitor 2a | | Descriptor: | (3R)-1-(ethanesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Zhao, Y, Fan, P, Liu, J, Wang, Y, Van Horn, K, Wang, D, Medina-Cleghorn, D, Lee, P, Bryant, C, Altobelli, C, Jaishankar, P, Ng, R.A, Ambrose, A.J, Tang, Y, Arkin, M.R, Renslo, A.R. | | Deposit date: | 2022-09-11 | | Release date: | 2023-05-10 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Engaging a Non-catalytic Cysteine Residue Drives Potent and Selective Inhibition of Caspase-6.
J.Am.Chem.Soc., 145, 2023
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8EG5
 | | huCaspase-6 in complex with inhibitor 3a | | Descriptor: | (3R,5S)-1-(ethanesulfonyl)-5-phenyl-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide (bound form), 1,2-ETHANEDIOL, Caspase-6 subunit p11, ... | | Authors: | Zhao, Y, Fan, P, Liu, J, Wang, Y, Van Horn, K, Wang, D, Medina-Cleghorn, D, Lee, P, Bryant, C, Altobelli, C, Jaishankar, P, Ng, R.A, Ambrose, A.J, Tang, Y, Arkin, M.R, Renslo, A.R. | | Deposit date: | 2022-09-11 | | Release date: | 2023-05-10 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Engaging a Non-catalytic Cysteine Residue Drives Potent and Selective Inhibition of Caspase-6.
J.Am.Chem.Soc., 145, 2023
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1AB2
 | | THREE-DIMENSIONAL SOLUTION STRUCTURE OF THE SRC HOMOLOGY 2 DOMAIN OF C-ABL | | Descriptor: | C-ABL TYROSINE KINASE SH2 DOMAIN | | Authors: | Overduin, M, Rios, C.B, Mayer, B.J, Baltimore, D, Cowburn, D. | | Deposit date: | 1993-07-19 | | Release date: | 1994-01-31 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Three-dimensional solution structure of the src homology 2 domain of c-abl.
Cell(Cambridge,Mass.), 70, 1992
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4U2W
 | | Atomic resolution crystal structure of HV-BBI protease inhibitor from amphibian skin in complex with bovine trypsin | | Descriptor: | 1,2-ETHANEDIOL, Bowman-Birk trypsin inhibitor, CALCIUM ION, ... | | Authors: | Grudnik, P, Golik, P, Malicki, S, Debowski, D, Legowska, A, Rolka, K, Dubin, G. | | Deposit date: | 2014-07-18 | | Release date: | 2015-01-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Atomic resolution crystal structure of HV-BBI protease inhibitor from amphibian skin in complex with bovine trypsin.
Proteins, 83, 2015
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4U65
 | | Structure of the periplasmic output domain of the Legionella pneumophila LapD ortholog CdgS9 in complex with Pseudomonas fluorescens LapG | | Descriptor: | CALCIUM ION, Putative cystine protease, Two component histidine kinase, ... | | Authors: | Chatterjee, D, Cooley, R.B, Boyd, C.D, Mehl, R.A, O'Toole, G.A, Sondermann, H.S. | | Deposit date: | 2014-07-27 | | Release date: | 2014-08-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Mechanistic insight into the conserved allosteric regulation of periplasmic proteolysis by the signaling molecule cyclic-di-GMP.
Elife, 3, 2014
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4U63
 | | Crystal structure of a bacterial class III photolyase from Agrobacterium tumefaciens at 1.67A resolution | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACID, DNA photolyase, ... | | Authors: | Scheerer, P, Zhang, F, Kalms, J, von Stetten, D, Krauss, N, Oberpichler, I, Lamparter, T. | | Deposit date: | 2014-07-26 | | Release date: | 2015-03-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | The Class III Cyclobutane Pyrimidine Dimer Photolyase Structure Reveals a New Antenna Chromophore Binding Site and Alternative Photoreduction Pathways.
J.Biol.Chem., 290, 2015
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4U64
 | | Structure of the periplasmic output domain of the Legionella pneumophila LapD ortholog CdgS9 in the apo state | | Descriptor: | Two component histidine kinase, GGDEF domain protein/EAL domain protein | | Authors: | Chatterjee, D, Cooley, R.B, Boyd, C.D, Mehl, R.A, O'Toole, G.A, Sondermann, H.S. | | Deposit date: | 2014-07-27 | | Release date: | 2014-08-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.141 Å) | | Cite: | Mechanistic insight into the conserved allosteric regulation of periplasmic proteolysis by the signaling molecule cyclic-di-GMP.
Elife, 3, 2014
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4UE4
 | | Structural basis for targeting and elongation arrest of Bacillus signal recognition particle | | Descriptor: | 6S RNA, FTSQ SIGNAL SEQUENCE, SIGNAL RECOGNITION PARTICLE PROTEIN | | Authors: | Beckert, B, Kedrov, A, Sohmen, D, Kempf, G, Wild, K, Sinning, I, Stahlberg, H, Wilson, D.N, Beckmann, R. | | Deposit date: | 2014-12-15 | | Release date: | 2015-09-09 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (7 Å) | | Cite: | Translational Arrest by a Prokaryotic Signal Recognition Particle is Mediated by RNA Interactions.
Nat.Struct.Mol.Biol., 22, 2015
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1ATN
 | | Atomic structure of the actin:DNASE I complex | | Descriptor: | ACTIN, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ... | | Authors: | Kabsch, W, Mannherz, H.G, Suck, D, Pai, E, Holmes, K.C. | | Deposit date: | 1991-03-08 | | Release date: | 1992-07-15 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Atomic structure of the actin:DNase I complex.
Nature, 347, 1990
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