5G0A
 
 | | The crystal structure of a S-selective transaminase from Bacillus megaterium | | Descriptor: | DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | van Oosterwijk, N, Willies, S, Hekelaar, J, Terwisscha van Scheltinga, A.C, Turner, N.J, Dijkstra, B.W. | | Deposit date: | 2016-03-17 | | Release date: | 2016-07-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Basis of Substrate Range and Enantioselectivity of Two S-Selective Omega- Transaminases
Biochemistry, 55, 2016
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5FNJ
 | | Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination | | Descriptor: | 2-(4-ethoxyphenyl)ethanoic acid, CARBONIC ANHYDRASE 2, CHLORIDE ION, ... | | Authors: | Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A. | | Deposit date: | 2015-11-15 | | Release date: | 2016-03-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016
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6VUV
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4RRD
 | | N-terminal editing domain of threonyl-tRNA synthetase from Aeropyrum pernix with L-Thr3AA (snapshot 4) | | Descriptor: | 3'-deoxy-3'-(L-threonylamino)adenosine, MAGNESIUM ION, Probable threonine--tRNA ligase 2 | | Authors: | Ahmad, S, Muthukumar, S, Yerabham, A.S.K, Kamarthapu, V, Sankaranarayanan, R. | | Deposit date: | 2014-11-06 | | Release date: | 2015-07-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Specificity and catalysis hardwired at the RNA-protein interface in a translational proofreading enzyme.
Nat Commun, 6, 2015
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8BVQ
 | | E. coli BAM complex (BamABCDE) bound to darobactin B | | Descriptor: | Darobactin-B, Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, ... | | Authors: | Horne, J.E, Fenn, K.L, Radford, S.E, Ranson, N.A. | | Deposit date: | 2022-12-05 | | Release date: | 2023-05-24 | | Last modified: | 2023-09-06 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Darobactin B Stabilises a Lateral-Closed Conformation of the BAM Complex in E. coli Cells.
Angew.Chem.Int.Ed.Engl., 62, 2023
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4YCX
 | | Binary complex of human DNA Polymerase Mu with 2-nt gapped DNA substrate | | Descriptor: | DNA (5'-D(*CP*GP*GP*CP*AP*AP*TP*AP*CP*G)-3'), DNA (5'-D(*CP*GP*TP*A)-3'), DNA (5'-D(P*GP*CP*CP*G)-3'), ... | | Authors: | Moon, A.F, Gosavi, R.A, Kunkel, T.A, Pedersen, L.C, Bebenek, K. | | Deposit date: | 2015-02-20 | | Release date: | 2015-08-05 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Creative template-dependent synthesis by human polymerase mu.
Proc.Natl.Acad.Sci.USA, 112, 2015
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5FNE
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6FD1
 | | 7-FE FERREDOXIN FROM AZOTOBACTER VINELANDII LOW TEMPERATURE, 1.35 A | | Descriptor: | 7-FE FERREDOXIN I (FD1), FE3-S4 CLUSTER, IRON/SULFUR CLUSTER | | Authors: | Stout, C.D, Stura, E.A, Mcree, D.E. | | Deposit date: | 1997-09-17 | | Release date: | 1997-11-12 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structure of Azotobacter vinelandii 7Fe ferredoxin at 1.35 A resolution and determination of the [Fe-S] bonds with 0.01 A accuracy.
J.Mol.Biol., 278, 1998
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4YDS
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4RSN
 | | Crystal structure of the E267V mutant of cytochrome P450 BM3 | | Descriptor: | Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Zhou, W.H, Zhang, A.L, Zhang, T, Ren, X.K, Yorke, J.A, Taylor, A, Wong, L.-L. | | Deposit date: | 2014-11-09 | | Release date: | 2015-12-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.701 Å) | | Cite: | Expanding the drug metabolism function of P450BM3
To be Published
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5JLW
 | | AntpHD with 15bp DNA duplex R-monothioated at Cytidine-8 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*AP*GP*AP*AP*AP*GP*CP*(C7R)P*AP*TP*TP*AP*GP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*CP*TP*AP*AP*TP*GP*GP*CP*TP*TP*TP*C)-3'), ... | | Authors: | White, M.A, Zandarashvili, L, Iwahara, J, Nguyen, D. | | Deposit date: | 2016-04-27 | | Release date: | 2016-06-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.088 Å) | | Cite: | Stereospecific Effects of Oxygen-to-Sulfur Substitution in DNA Phosphate on Ion Pair Dynamics and Protein-DNA Affinity.
Chembiochem, 17, 2016
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6PUJ
 | | Structure of human MAIT A-F7 TCR in complex with human MR1-3`OH-Propyl-5-OP-U | | Descriptor: | 6-[(3-hydroxypropyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione, Beta-2-microglobulin, CHLORIDE ION, ... | | Authors: | Awad, W, Keller, A.N, Rossjohn, J. | | Deposit date: | 2019-07-18 | | Release date: | 2020-02-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020
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5HR7
 | | X-ray crystal structure of C118A RlmN from Escherichia coli with cross-linked in vitro transcribed tRNA | | Descriptor: | 5'-DEOXYADENOSINE, Dual-specificity RNA methyltransferase RlmN, IRON/SULFUR CLUSTER, ... | | Authors: | Schwalm, E.L, Grove, T.L, Booker, S.J, Boal, A.K. | | Deposit date: | 2016-01-22 | | Release date: | 2016-04-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystallographic capture of a radical S-adenosylmethionine enzyme in the act of modifying tRNA.
Science, 352, 2016
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6FM1
 | | Deoxyguanylosuccinate synthase (DgsS) quaternary structure with ATPanddGMP at 2.3 Angstrom resolution | | Descriptor: | 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Adenylosuccinate synthetase, ... | | Authors: | Sleiman, D, Loc'h, J, Haouz, A, Kaminski, P.A. | | Deposit date: | 2018-01-29 | | Release date: | 2019-06-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | A third purine biosynthetic pathway encoded by aminoadenine-based viral DNA genomes.
Science, 372, 2021
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6ISV
 | | Structure of acetophenone reductase from Geotrichum candidum NBRC 4597 in complex with NAD | | Descriptor: | Acetophenone reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION | | Authors: | Koesoema, A.A, Sugiyama, Y, Senda, M, Senda, T, Matsuda, T. | | Deposit date: | 2018-11-19 | | Release date: | 2019-09-11 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for a highly (S)-enantioselective reductase towards aliphatic ketones with only one carbon difference between side chain.
Appl.Microbiol.Biotechnol., 103, 2019
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6IVJ
 | | Crystal structure of a membrane protein G18A | | Descriptor: | ACETIC ACID, CHLORIDE ION, Ibestrophin, ... | | Authors: | Kittredge, A, Fukuda, F, Zhang, Y, Yang, T. | | Deposit date: | 2018-12-04 | | Release date: | 2019-11-06 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Dual Ca2+-dependent gates in human Bestrophin1 underlie disease-causing mechanisms of gain-of-function mutations.
Commun Biol, 2, 2019
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6FPU
 | | tRNA guanine Transglycosylase (TGT) in co-crystallized complex with 6-amino-2-((((3aS,5aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-3a-yl)methyl)amino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | | Descriptor: | 6-azanyl-2-[[(1~{R},2~{S},6~{S},9~{R})-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^{2,6}]dodecan-6-yl]methylamino]-3,7-dihydroimidazo[4,5-g]quinazolin-8-one, CHLORIDE ION, GLYCEROL, ... | | Authors: | Nguyen, A, Heine, A, Klebe, G. | | Deposit date: | 2018-02-12 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Sugar Acetonides are a Superior Motif for Addressing the Large, Solvent-Exposed Ribose-33 Pocket of tRNA-Guanine Transglycosylase.
Chemistry, 24, 2018
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5HD1
 | | Crystal structure of antimicrobial peptide Pyrrhocoricin bound to the Thermus thermophilus 70S ribosome | | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Gagnon, M.G, Roy, R.N, Lomakin, I.B, Florin, T, Mankin, A.S, Steitz, T.A. | | Deposit date: | 2016-01-04 | | Release date: | 2016-04-06 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structures of proline-rich peptides bound to the ribosome reveal a common mechanism of protein synthesis inhibition.
Nucleic Acids Res., 44, 2016
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5HCP
 | | Crystal structure of antimicrobial peptide Metalnikowin bound to the Thermus thermophilus 70S ribosome | | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Gagnon, M.G, Roy, R.N, Lomakin, I.B, Florin, T, Mankin, A.S, Steitz, T.A. | | Deposit date: | 2016-01-04 | | Release date: | 2016-04-06 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.894 Å) | | Cite: | Structures of proline-rich peptides bound to the ribosome reveal a common mechanism of protein synthesis inhibition.
Nucleic Acids Res., 44, 2016
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6BNS
 | | STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN BOUND TETHERED WITH SRC co-activator peptide and Compound 25a AKA BICYCLIC HEXAFLUOROISOPROPYL 2 ALCOHOL SULFONAMIDES | | Descriptor: | 2-[(2S)-4-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide, Nuclear receptor subfamily 1 group I member 2,Nuclear receptor coactivator 1 Chimera | | Authors: | DHAR, T.G, GONG, H, WEINSTEIN, D.S, LU, Z, DUAN, J.J.W, STACHURA, S, HAQUE, L, KARMAKAR, A, HEMAGIRI, H, RAUT, D.K, GUPTA, A.K, KHAN, J.A, SACK, J.S, CAMAC, D.M, PUDZIANOWSKI, A.A, WU, D.R, YARDE, M, SHEN, D.R, BOROWSKI, V, XIE, J.H, SUN, H, ARIENZO, C.D, DABROS, M, GALELLA, M.A, WANG, F, WEIGELT, C.A, ZHAO, Q, FOSTER, W, SOMERVILLE, J.E, SALTER-CID, L.M, BARRISH, J.C, CARTER, P.H. | | Deposit date: | 2017-11-17 | | Release date: | 2017-12-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Identification of bicyclic hexafluoroisopropyl alcohol sulfonamides as retinoic acid receptor-related orphan receptor gamma (ROR gamma /RORc) inverse agonists. Employing structure-based drug design to improve pregnane X receptor (PXR) selectivity.
Bioorg. Med. Chem. Lett., 28, 2018
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6LYO
 | | Crystal Structure of H296A mutant of Formylglycinamidine Synthetase | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ... | | Authors: | Sharma, N, Tanwar, A.S, Anand, R. | | Deposit date: | 2020-02-15 | | Release date: | 2021-02-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Mechanism of Coordinated Gating and Signal Transduction in Purine Biosynthetic Enzyme Formylglycinamidine Synthetase.
Acs Catalysis, 12, 2022
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6FP5
 | | Crystal structure of ZAD-domain of CG2712 protein from D.melanogaster | | Descriptor: | CG2712, GLYCEROL, ZINC ION | | Authors: | Boyko, K.M, Nikolaeva, A.Y, Bonchuk, A.N, Kachalova, G.S, Georgiev, P.G, Popov, V.O. | | Deposit date: | 2018-02-09 | | Release date: | 2019-08-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis of diversity and homodimerization specificity of zinc-finger-associated domains in Drosophila.
Nucleic Acids Res., 49, 2021
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6Q0F
 | | Crystal structure of ligand-binding domain of Pseudomonas fluorescens chemoreceptor CtaA in complex with L-valine | | Descriptor: | CHLORIDE ION, Putative methyl-accepting chemotaxis protein, SODIUM ION, ... | | Authors: | Ud-Din, I.A, Khan, M.F, Roujeinikova, A. | | Deposit date: | 2019-08-01 | | Release date: | 2020-03-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Broad Specificity of Amino Acid Chemoreceptor CtaA ofPseudomonas fluorescensIs Afforded by Plasticity of Its Amphipathic Ligand-Binding Pocket.
Mol.Plant Microbe Interact., 33, 2020
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6FP7
 | | mTFP1/DARPin 1238_E11 complex in space group P6522 | | Descriptor: | DARPin1238_E11, GFP-like fluorescent chromoprotein cFP484, GLYCEROL | | Authors: | Jakob, R.P, Vigano, M.A, Bieli, D, Matsuda, S, Schaefer, J.V, Pluckthun, A, Affolter, M, Maier, T. | | Deposit date: | 2018-02-09 | | Release date: | 2018-10-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.576 Å) | | Cite: | DARPins recognizing mTFP1 as novel reagents forin vitroandin vivoprotein manipulations.
Biol Open, 7, 2018
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6LYK
 | | Crystal Structure of R1263A mutant of Formylglycinamidine Synthetase | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, GLUTAMINE, ... | | Authors: | Sharma, N, Tanwar, A.S, Anand, R. | | Deposit date: | 2020-02-14 | | Release date: | 2021-02-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Mechanism of Coordinated Gating and Signal Transduction in Purine Biosynthetic Enzyme Formylglycinamidine Synthetase.
Acs Catalysis, 12, 2022
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