6U2H
 
 | | BRAF dimer bound to 14-3-3 | | Descriptor: | 14-3-3 protein zeta/delta, 2-{4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-3-(pyridin-4-yl)-1H-pyrazol-1-yl}ethanol, Serine/threonine-protein kinase B-raf | | Authors: | Liau, N.P.D, Hymowitz, S.G, Sudhamsu, J. | | Deposit date: | 2019-08-19 | | Release date: | 2019-08-28 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Negative regulation of RAF kinase activity by ATP is overcome by 14-3-3-induced dimerization.
Nat.Struct.Mol.Biol., 27, 2020
|
|
6U34
 | | Binary complex of native hAChE with oxime reactivator RS194B | | Descriptor: | (2E)-N-[2-(azepan-1-yl)ethyl]-2-(hydroxyimino)acetamide, Acetylcholinesterase, GLYCEROL, ... | | Authors: | Kovalevsky, A, Gerlits, O, Radic, Z. | | Deposit date: | 2019-08-21 | | Release date: | 2020-02-12 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Rational design, synthesis, and evaluation of uncharged, "smart" bis-oxime antidotes of organophosphate-inhibited human acetylcholinesterase.
J.Biol.Chem., 295, 2020
|
|
3JYR
 | | Crystal structures of the GacH receptor of Streptomyces glaucescens GLA.O in the unliganded form and in complex with acarbose and an acarbose homolog. Comparison with acarbose-loaded maltose binding protein of Salmonella typhimurium. | | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Maltose-binding periplasmic protein | | Authors: | Vahedi-Faridi, A, Licht, A, Bulut, H, Schneider, E. | | Deposit date: | 2009-09-22 | | Release date: | 2010-02-16 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal Structures of the Solute Receptor GacH of Streptomyces glaucescens in Complex with Acarbose and an Acarbose Homolog: Comparison with the Acarbose-Loaded Maltose-Binding Protein of Salmonella typhimurium.
J.Mol.Biol., 397, 2010
|
|
5F6D
 | | Crystal structure of Ubc9 (K48A/K49A/E54A) complexed with Fragment 6 | | Descriptor: | 6~{H}-benzo[c][1,2]benzothiazine 5,5-dioxide, SUMO-conjugating enzyme UBC9 | | Authors: | Lountos, G.T, Hewitt, W.M, Zlotkowski, K, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S. | | Deposit date: | 2015-12-05 | | Release date: | 2016-04-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.553 Å) | | Cite: | Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9.
Angew.Chem.Int.Ed.Engl., 55, 2016
|
|
6FGG
 | | Crystal Structure of BAZ2A bromodomain in complex with 1-methylpyridinone compound 5 | | Descriptor: | Bromodomain adjacent to zinc finger domain protein 2A, ~{N}-[3-[2-(dimethylamino)ethyl]-2-oxidanylidene-1,3-benzoxazol-5-yl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide | | Authors: | Dalle Vedove, A, Spiliotopoulos, D, Lolli, G, Caflisch, A. | | Deposit date: | 2018-01-10 | | Release date: | 2018-05-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
|
|
7CDY
 | |
6CA3
 | | THE CRYSTAL STRUCTURE OF THE W169Y MUTANT OF ALPHA-GLUCOSIDASE (GH 31) FROM RUMINOCOCCUS OBEUM ATCC 29174 in complex with miglitol | | Descriptor: | (2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol, GLYCEROL, Glycosyl hydrolase, ... | | Authors: | Tan, K, Tesar, C, Jedrzejczak, R, Joachimiak, A, Midwest Center for Macromolecular Research (MCMR) | | Deposit date: | 2018-01-29 | | Release date: | 2018-02-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.743 Å) | | Cite: | THE CRYSTAL STRUCTURE OF THE W169Y MUTANT OF ALPHA-GLUCOSIDASE (GH 31) FROM RUMINOCOCCUS OBEUM ATCC 29174 in complex with miglitol
To Be Published
|
|
7UYF
 | | Human PRMT5:MEP50 structure with Fragment 4 and MTA Bound | | Descriptor: | 4-methyl-1,5-naphthyridin-2-amine, 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, ... | | Authors: | Gunn, R.J, Lawson, J.D, Smith, C.R. | | Deposit date: | 2022-05-06 | | Release date: | 2022-10-05 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | Fragment optimization and elaboration strategies - the discovery of two lead series of PRMT5/MTA inhibitors from five fragment hits.
Rsc Med Chem, 13, 2022
|
|
4ABH
 | | Fragments bound to bovine trypsin for the SAMPL challenge | | Descriptor: | 1,2-ETHANEDIOL, 1-(3-PYRROLIDIN-1-YLPHENYL)METHANAMINE, CALCIUM ION, ... | | Authors: | Newman, J, Peat, T.S. | | Deposit date: | 2011-12-08 | | Release date: | 2012-02-08 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge.
J.Comput.Aided Mol.Des., 26, 2012
|
|
6LPJ
 | | A2AR crystallized in EROCOC17+4, LCP-SFX at 277 K | | Descriptor: | 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CHOLESTEROL, ... | | Authors: | Ihara, K, Hato, M, Nakane, T, Yamashita, K, Kimura-Someya, T, Hosaka, T, Ishizuka-Katsura, Y, Tanaka, R, Tanaka, T, Sugahara, M, Hirata, K, Yamamoto, M, Nureki, O, Tono, K, Nango, E, Iwata, S, Shirouzu, M. | | Deposit date: | 2020-01-10 | | Release date: | 2020-11-25 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Isoprenoid-chained lipid EROCOC 17+4 : a new matrix for membrane protein crystallization and a crystal delivery medium in serial femtosecond crystallography.
Sci Rep, 10, 2020
|
|
7UO0
 | | E.coli RNaseP Holoenzyme with Mg2+ | | Descriptor: | CALCIUM ION, Precursor tRNA substrate G(-1) G(-2), RNase P RNA, ... | | Authors: | Huang, W, Taylor, D.J. | | Deposit date: | 2022-04-12 | | Release date: | 2022-09-28 | | Last modified: | 2025-05-21 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural and mechanistic basis for recognition of alternative tRNA precursor substrates by bacterial ribonuclease P.
Nat Commun, 13, 2022
|
|
6M5U
 | | The coordinates of the monomeric terminase complex in the presence of the ADP-BeF3 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ... | | Authors: | Yang, Y.X, Yang, P, Wang, N, Zhu, L, Zhou, Z.H, Rao, Z.H, Wang, X.X. | | Deposit date: | 2020-03-11 | | Release date: | 2020-10-28 | | Last modified: | 2025-06-18 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Architecture of the herpesvirus genome-packaging complex and implications for DNA translocation.
Protein Cell, 11, 2020
|
|
7V3T
 | | Solution structure of thrombin binding aptamer G-quadruplex bound a self-adaptive small molecule with rotated ligands | | Descriptor: | 11,13-bis(fluoranyl)-8-(1-methyl-3-pyridin-2-yl-imidazol-2-yl)-8-(1-methyl-3-pyridin-2-yl-imidazol-2-yl)-7$l^{4}-aza-8$l^{4}-platinatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaene, TBA G4 DNA (5'-D(*GP*GP*TP*TP*GP*GP*TP*GP*TP*GP*GP*TP*TP*GP*G)-3') | | Authors: | Liu, W, Zhu, B.C, Mao, Z.W. | | Deposit date: | 2021-08-11 | | Release date: | 2022-09-28 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a thrombin binding aptamer complex with a non-planar platinum(ii) compound.
Chem Sci, 13, 2022
|
|
5EU1
 | | CRYSTAL STRUCTURE OF BRD9 IN COMPLEX WITH BI-7273 | | Descriptor: | 4-[4-[(dimethylamino)methyl]-3,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one, BRD9 | | Authors: | Bader, G, Martin, L.M, Steurer, S, Weiss-Puxbaum, A, Zoephel, A. | | Deposit date: | 2015-11-18 | | Release date: | 2016-03-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor.
J.Med.Chem., 59, 2016
|
|
2BE6
 | | 2.0 A crystal structure of the CaV1.2 IQ domain-Ca/CaM complex | | Descriptor: | CALCIUM ION, Calmodulin 2, NICKEL (II) ION, ... | | Authors: | Van Petegem, F, Chatelain, F.C, Minor Jr, D.L. | | Deposit date: | 2005-10-23 | | Release date: | 2005-11-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Insights into voltage-gated calcium channel regulation from the structure of the Ca(V)1.2 IQ domain-Ca(2+)/calmodulin complex
Nat.Struct.Mol.Biol., 12, 2005
|
|
4OCH
 | | Apo structure of Smr domain of MutS2 from Deinococcus radiodurans | | Descriptor: | Endonuclease MutS2, GLYCEROL | | Authors: | Zhang, H, Zhao, Y, Xu, Q, Hua, Y.J. | | Deposit date: | 2014-01-09 | | Release date: | 2014-06-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.4001 Å) | | Cite: | Structural and functional studies of MutS2 from Deinococcus radiodurans.
Dna Repair, 21, 2014
|
|
5X61
 | | Crystal structure of Acetylcholinesterase Catalytic Subunit of the Malaria Vector Anopheles Gambiae, 3.4 A | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AMMONIUM ION, ... | | Authors: | Han, Q, Robinson, H, Ding, H, Wong, D.M, Lam, P.C.H, Totrov, M.M, Carlier, P.R, Li, J. | | Deposit date: | 2017-02-20 | | Release date: | 2017-03-15 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Crystal structure of acetylcholinesterase catalytic subunits of the malaria vector Anopheles gambiae
Insect Sci., 2017
|
|
6TYZ
 | |
7UBJ
 | | Transcription antitermination factor Qlambda, type-I crystal | | Descriptor: | 1,2-ETHANEDIOL, Antitermination protein Q, CHLORIDE ION, ... | | Authors: | Yin, Z, Ebright, R.H. | | Deposit date: | 2022-03-15 | | Release date: | 2022-09-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | In transcription antitermination by Q lambda , NusA induces refolding of Q lambda to form a nozzle that extends the RNA polymerase RNA-exit channel.
Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
1AKG
 | | ALPHA-CONOTOXIN PNIB FROM CONUS PENNACEUS | | Descriptor: | ALPHA-CONOTOXIN PNIB | | Authors: | Hu, S.-H, Martin, J.L. | | Deposit date: | 1997-05-18 | | Release date: | 1998-05-20 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Crystal structure at 1.1 A resolution of alpha-conotoxin PnIB: comparison with alpha-conotoxins PnIA and GI.
Biochemistry, 36, 1997
|
|
7UBL
 | | Transcription antitermination factor Qlambda in complex with Q-lambda-binding-element DNA | | Descriptor: | 1,2-ETHANEDIOL, Antitermination protein Q, DNA (5'-D(P*CP*AP*CP*CP*CP*AP*AP*TP*TP*TP*TP*AP*TP*TP*CP*AP*AP*TP*G)-3'), ... | | Authors: | Yin, Z, Ebright, R.H. | | Deposit date: | 2022-03-15 | | Release date: | 2022-09-28 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.177 Å) | | Cite: | In transcription antitermination by Q lambda , NusA induces refolding of Q lambda to form a nozzle that extends the RNA polymerase RNA-exit channel.
Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
1ALV
 | | CALCIUM BOUND DOMAIN VI OF PORCINE CALPAIN | | Descriptor: | CALCIUM ION, CALPAIN | | Authors: | Narayana, S.V.L, Lin, G, Chattopadhyay, D, Maki, M. | | Deposit date: | 1997-06-03 | | Release date: | 1998-06-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of calcium bound domain VI of calpain at 1.9 A resolution and its role in enzyme assembly, regulation, and inhibitor binding.
Nat.Struct.Biol., 4, 1997
|
|
6E2B
 | | Ubiquitin in complex with Pt(2-phenilpyridine)(PPh3) | | Descriptor: | GLYCEROL, SULFATE ION, Ubiquitin, ... | | Authors: | Zhemkov, V.A, Kim, M. | | Deposit date: | 2018-07-11 | | Release date: | 2018-11-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Reactions of Cyclometalated Platinum(II) [Pt(N∧C)(PR3)Cl] Complexes with Imidazole and Imidazole-Containing Biomolecules: Fine-Tuning of Reactivity and Photophysical Properties via Ligand Design.
Inorg Chem, 58, 2019
|
|
5CPN
 | | Crystal structure of XenA from Pseudomonas putida in complex with an NADH mimic (mAc) | | 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, 1-[(3S)-1-benzylpiperidin-3-yl]ethanone, Xenobiotic reductase | | Authors: | Knaus, T, Paul, C.E, Levy, C.W, Mutti, F.G, Hollmann, F, Scrutton, N.S. | | Deposit date: | 2015-07-21 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Better than Nature: Nicotinamide Biomimetics That Outperform Natural Coenzymes.
J.Am.Chem.Soc., 138, 2016
|
|
6GI1
 | | Crystal structure of the ferric enterobactin esterase (pfeE) mutant(S157A) from Pseudomonas aeruginosa in presence of enterobactin | | Descriptor: | 1,2-ETHANEDIOL, 2-(2,3-DIHYDROXY-BENZOYLAMINO)-3-HYDROXY-PROPIONIC ACID, FE (III) ION, ... | | Authors: | Moynie, L, Naismith, J.H. | | Deposit date: | 2018-05-09 | | Release date: | 2018-06-20 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | A Key Role for the Periplasmic PfeE Esterase in Iron Acquisition via the Siderophore Enterobactin in Pseudomonas aeruginosa.
ACS Chem. Biol., 13, 2018
|
|
