3QCX
| Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 6-{2-Amino-6-[(3R)-3-methyl-4-morpholinyl]-4-pyrimidinyl}-1H-indazol-3-amine | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, 6-{2-amino-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl}-2H-indazol-3-amine, GLYCEROL, ... | Authors: | Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M. | Deposit date: | 2011-01-17 | Release date: | 2011-03-09 | Last modified: | 2011-11-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors. J.Med.Chem., 54, 2011
|
|
2R96
| Crystal structure of E. coli WrbA in complex with FMN | Descriptor: | 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, Flavoprotein WrbA | Authors: | Kuta Smatanova, I, Wolfova, J, Brynda, J, Mesters, J.R, Grandori, R, Carey, J. | Deposit date: | 2007-09-12 | Release date: | 2008-09-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural organization of WrbA in apo- and holoprotein crystals. Biochim.Biophys.Acta, 1794, 2009
|
|
2R97
| Crystal structure of E. coli WrbA in complex with FMN | Descriptor: | FLAVIN MONONUCLEOTIDE, Flavoprotein WrbA | Authors: | Kuta Smatanova, I, Wolfova, J, Brynda, J, Mesters, J.R, Grandori, R, Carey, J. | Deposit date: | 2007-09-12 | Release date: | 2008-09-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural organization of WrbA in apo- and holoprotein crystals. Biochim.Biophys.Acta, 1794, 2009
|
|
3QCQ
| Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 6-(3-Amino-1H-indazol-6-yl)-N4-ethyl-2,4-pyrimidinediamine | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, 6-(3-amino-2H-indazol-6-yl)-N~4~-ethylpyrimidine-2,4-diamine, GLYCEROL, ... | Authors: | Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M. | Deposit date: | 2011-01-17 | Release date: | 2011-03-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors. J.Med.Chem., 54, 2011
|
|
3S24
| Crystal structure of human mRNA guanylyltransferase | Descriptor: | SULFATE ION, mRNA-capping enzyme | Authors: | Das, K, Chu, C, Thyminski, J.R, Bauman, J.D, Guan, R, Qiu, W, Montelione, G.T, Arnold, E, Shatkin, A.J. | Deposit date: | 2011-05-16 | Release date: | 2011-06-15 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.0137 Å) | Cite: | Structure of the guanylyltransferase domain of human mRNA capping enzyme. Proc.Natl.Acad.Sci.USA, 108, 2011
|
|
4XE0
| Idelalisib bound to the p110 subunit of PI3K delta | Descriptor: | 5-fluoro-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-4(3H)-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Somoza, J.R, Villasenor, A. | Deposit date: | 2014-12-20 | Release date: | 2015-02-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.434 Å) | Cite: | Structural, Biochemical, and Biophysical Characterization of Idelalisib Binding to Phosphoinositide 3-Kinase delta. J.Biol.Chem., 290, 2015
|
|
5FRG
| |
5FRH
| Solution structure of oxidised RsrA | Descriptor: | ANTI-SIGMA FACTOR RSRA | Authors: | Zdanowski, K, Pecqueur, L, Werner, J, Potts, J.R, Kleanthous, C. | Deposit date: | 2015-12-17 | Release date: | 2016-08-03 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | The Anti-Sigma Factor Rsra Responds to Oxidative Stress by Reburying its Hydrophobic Core. Nat.Commun., 7, 2016
|
|
4XCX
| METHYLTRANSFERASE DOMAIN OF SMALL RNA 2'-O-METHYLTRANSFERASE | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, Small RNA 2'-O-methyltransferase | Authors: | Walker, J.R, Zeng, H, Dong, A, Li, Y, Wernimont, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2014-12-18 | Release date: | 2015-01-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Crystal structure of human C1ORF59 in complex with SAH To be published
|
|
5GTH
| Native XFEL structure of photosystem II (dark dataset) | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Suga, M, Shen, J.R. | Deposit date: | 2016-08-20 | Release date: | 2017-03-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Light-induced structural changes and the site of O=O bond formation in PSII caught by XFEL. Nature, 543, 2017
|
|
4XVS
| Crystal structure of HIV-1 donor 45 d45-01dG5 coreE gp120 with antibody 45-VRC01.H01+07.O-863513/45-VRC01.L01+07.O-110653 (VRC07_1995) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 45-VRC01.H01+07.O-863513/45-VRC01.L01+07.O-110653 Light chain, Donor 45 01dG5 coreE gp120, ... | Authors: | Joyce, M.G, Mascola, J.R, Kwong, P.D. | Deposit date: | 2015-01-27 | Release date: | 2015-05-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Maturation and Diversity of the VRC01-Antibody Lineage over 15 Years of Chronic HIV-1 Infection. Cell, 161, 2015
|
|
4XK8
| Crystal structure of plant photosystem I-LHCI super-complex at 2.8 angstrom resolution | Descriptor: | (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, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | Authors: | Suga, M, Qin, X, Kuang, T, Shen, J.R. | Deposit date: | 2015-01-10 | Release date: | 2015-06-10 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis for energy transfer pathways in the plant PSI-LHCI supercomplex Science, 348, 2015
|
|
4XVT
| Crystal structure of HIV-1 93TH057 coreE gp120 with antibody 45-VRC01.H01+07.O-863513/45-VRC01.L01+07.O-110653 (VRC07_1995) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 45-VRC01.H01+07.O-863513/45-VRC01.L01+07.O-110653 (VRC07_1995) Light chain, ENVELOPE GLYCOPROTEIN GP120 OF HIV-1 CLADE A/E, ... | Authors: | Joyce, M.G, Mascola, J.R, Kwong, P.D. | Deposit date: | 2015-01-28 | Release date: | 2015-07-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Maturation and Diversity of the VRC01-Antibody Lineage over 15 Years of Chronic HIV-1 Infection. Cell, 161, 2015
|
|
4YTA
| BOND LENGTH ANALYSIS OF ASP, GLU AND HIS RESIDUES IN TRYPSIN AT 1.2A RESOLUTION | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Fisher, S.J, Helliwell, J.R, Blakeley, M.P, Cianci, M, McSweeny, S. | Deposit date: | 2015-03-17 | Release date: | 2015-05-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Protonation-state determination in proteins using high-resolution X-ray crystallography: effects of resolution and completeness. Acta Crystallogr. D Biol. Crystallogr., 68, 2012
|
|
5HLL
| |
5HML
| Crystal Structure of T5 D15 Protein Co-crystallized with Metal Ions | Descriptor: | 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Flemming, C.S, Feng, M, Sedelnikova, S.E, Zhang, J, Rafferty, J.B, Sayers, J.R, Artymiuk, P.J. | Deposit date: | 2016-01-16 | Release date: | 2016-06-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.482 Å) | Cite: | Direct observation of DNA threading in flap endonuclease complexes. Nat.Struct.Mol.Biol., 23, 2016
|
|
5HYN
| Structure of Human Polycomb Repressive Complex 2 (PRC2) with oncogenic histone H3K27M peptide | Descriptor: | H3K27M, Histone-lysine N-methyltransferase EZH2, JARID2 K116me3, ... | Authors: | Zhang, Y, Justin, N, Wilson, J.R, Gamblin, S.J. | Deposit date: | 2016-02-01 | Release date: | 2016-05-11 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structural basis of oncogenic histone H3K27M inhibition of human polycomb repressive complex 2. Nat Commun, 7, 2016
|
|
5HMM
| Crystal Structure of T5 D15 Protein Co-crystallized with Metal Ions | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Exodeoxyribonuclease, ... | Authors: | Flemming, C.S, Sedelnikova, S.E, Rafferty, J.B, Sayers, J.R, Artymiuk, P.J. | Deposit date: | 2016-01-16 | Release date: | 2016-06-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Direct observation of DNA threading in flap endonuclease complexes. Nat.Struct.Mol.Biol., 23, 2016
|
|
5HP4
| Crystal structure bacteriohage T5 D15 flap endonuclease (D155K) pseudo-enzyme-product complex with DNA and metal ions | Descriptor: | CALCIUM ION, DNA (5'-D(*GP*AP*TP*CP*TP*AP*TP*AP*TP*GP*CP*CP*AP*TP*CP*GP*G)-3'), Exodeoxyribonuclease, ... | Authors: | Almalki, F.A, Zhang, J, Sedelnikova, S.E, Rafferty, J.B, Sayers, J.R, Artymiuk, P.A. | Deposit date: | 2016-01-20 | Release date: | 2016-06-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Direct observation of DNA threading in flap endonuclease complexes. Nat.Struct.Mol.Biol., 23, 2016
|
|
5HVY
| CDK8/CYCC IN COMPLEX WITH COMPOUND 20 | Descriptor: | CHLORIDE ION, Cyclin-C, Cyclin-dependent kinase 8, ... | Authors: | Kiefer, J.R, Schneider, E.V, Maskos, K, Bergeron, P, Koehler, M. | Deposit date: | 2016-01-28 | Release date: | 2016-04-20 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Design and Development of a Series of Potent and Selective Type II Inhibitors of CDK8. Acs Med.Chem.Lett., 7, 2016
|
|
4ZDN
| Streptomyces platensis isomigrastatin ketosynthase domain MgsF KS4 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AT-less polyketide synthase, CHLORIDE ION | Authors: | Chang, C, Li, H, Endres, M, Bingman, C.A, Yennamalli, R, Lohman, J.R, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2015-04-17 | Release date: | 2015-05-13 | Last modified: | 2023-03-22 | Method: | X-RAY DIFFRACTION (2.509 Å) | Cite: | Structural and evolutionary relationships of "AT-less" type I polyketide synthase ketosynthases. Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
1QNY
| X-ray refinement of D2O soaked crystal of concanavalin A | Descriptor: | CALCIUM ION, CONCANAVALIN A, MANGANESE (II) ION | Authors: | Habash, J, Raftery, J, Nuttall, R, Price, H.J, Lehmann, M.S, Wilkinson, C, Kalb(Gilboa), A.J, Helliwell, J.R. | Deposit date: | 1999-10-26 | Release date: | 2000-04-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Direct Determination of the Positions of Deuterium Atoms of Bound Water in Concanavalin a by Neutron Laue Crystallography Acta Crystallogr.,Sect.D, 56, 2000
|
|
4ZM6
| A unique GCN5-related glucosamine N-acetyltransferase region exist in the fungal multi-domain GH3 beta-N-acetylglucosaminidase | Descriptor: | ACETYL COENZYME *A, N-acetyl-beta-D glucosaminidase, SULFATE ION | Authors: | Qin, Z, Xiao, Y, Yang, X, Jiang, Z, Yang, S, Mesters, J.R. | Deposit date: | 2015-05-02 | Release date: | 2015-12-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A unique GCN5-related glucosamine N-acetyltransferase region exist in the fungal multi-domain glycoside hydrolase family 3 beta-N-acetylglucosaminidase Sci Rep, 5, 2015
|
|
4ZPV
| Structure of MERS-Coronavirus Spike Receptor-binding Domain (England1 Strain) in Complex with Vaccine-Elicited Murine Neutralizing Antibody D12 (Crystal Form 2) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D12 Fab Heavy chain, D12 Fab light chain, ... | Authors: | Joyce, M.G, Mascola, J.R, Graham, B.S, Kwong, P.D. | Deposit date: | 2015-05-08 | Release date: | 2015-10-21 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Evaluation of candidate vaccine approaches for MERS-CoV. Nat Commun, 6, 2015
|
|
5I4E
| Crystal Structure of Human Nonmuscle Myosin 2C motor domain | Descriptor: | ADP ORTHOVANADATE, MAGNESIUM ION, Myosin-14,Alpha-actinin A | Authors: | Chinthalapudi, K, Heissler, S.M, Preller, M, Sellers, J.R, Manstein, D.J. | Deposit date: | 2016-02-11 | Release date: | 2017-09-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Mechanistic insights into the active site and allosteric communication pathways in human nonmuscle myosin-2C. Elife, 6, 2017
|
|