6GUU
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4RMI
| Human Sirt2 in complex with SirReal1 and Ac-Lys-OTC peptide | Descriptor: | Ac-Lys-OTC peptide, N-(5-benzyl-1,3-thiazol-2-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide, NAD-dependent protein deacetylase sirtuin-2, ... | Authors: | Rumpf, T, Schiedel, M, Karaman, B, Roessler, C, North, B.J, Lehotzky, A, Olah, J, Ladwein, K.I, Schmidtkunz, K, Gajer, M, Pannek, M, Steegborn, C, Sinclair, D.A, Gerhardt, S, Ovadi, J, Schutkowski, M, Sippl, W, Einsle, O, Jung, M. | Deposit date: | 2014-10-21 | Release date: | 2015-02-25 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Selective Sirt2 inhibition by ligand-induced rearrangement of the active site. Nat Commun, 6, 2015
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8FVJ
| Dimeric form of HIV-1 Vif in complex with human CBF-beta, ELOB, ELOC, and CUL5 | Descriptor: | Core-binding factor subunit beta, Cullin-5, Elongin-B, ... | Authors: | Ito, F, Alvarez-Cabrera, A.L, Zhou, Z.H, Chen, X.S. | Deposit date: | 2023-01-19 | Release date: | 2023-09-06 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.54 Å) | Cite: | Structural basis of HIV-1 Vif-mediated E3 ligase targeting of host APOBEC3H. Nat Commun, 14, 2023
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4RR8
| N-terminal editing domain of threonyl-tRNA synthetase from Aeropyrum pernix with L-Ser3AA (snapshot 3) | Descriptor: | MAGNESIUM ION, Probable threonine--tRNA ligase 2, SERINE-3'-AMINOADENOSINE | 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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6C6S
| CryoEM structure of E.coli RNA polymerase elongation complex bound with RfaH | Descriptor: | DNA (29-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Kang, J.Y, Artsimovitch, I, Landick, R, Darst, S.A. | Deposit date: | 2018-01-19 | Release date: | 2018-07-25 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structural Basis for Transcript Elongation Control by NusG Family Universal Regulators. Cell, 173, 2018
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5Y5J
| Time-resolved SFX structure of cytochrome P450nor: dark-2 data in the presence of NADH (resting state) | Descriptor: | GLYCEROL, NADP nitrous oxide-forming nitric oxide reductase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Tosha, T, Nomura, T, Nishida, T, Saeki, N, Okubayashi, K, Yamagiwa, R, Sugahara, M, Nakane, T, Yamashita, K, Hirata, K, Ueno, G, Kimura, T, Hisano, T, Muramoto, K, Sawai, H, Takeda, H, Mizohata, E, Yamashita, A, Kanematsu, Y, Takano, Y, Nango, E, Tanaka, R, Nureki, O, Ikemoto, Y, Murakami, H, Owada, S, Tono, K, Yabashi, M, Yamamoto, M, Ago, H, Iwata, S, Sugimoto, H, Shiro, Y, Kubo, M. | Deposit date: | 2017-08-09 | Release date: | 2017-12-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Capturing an initial intermediate during the P450nor enzymatic reaction using time-resolved XFEL crystallography and caged-substrate. Nat Commun, 8, 2017
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8RGK
| Structure of Human Serum Albumin in complex with Aristolochic Acid at 1.9 A resolution | Descriptor: | 1,2-ETHANEDIOL, 8-methoxy-6-nitro-naphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid, MYRISTIC ACID, ... | Authors: | Pomyalov, S, Sidorenko, V.S, Grollman, A.P, Shoham, G. | Deposit date: | 2023-12-13 | Release date: | 2024-06-26 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and mechanistic insights into the transport of aristolochic acids and their active metabolites by human serum albumin. J.Biol.Chem., 300, 2024
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6VZY
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6GY4
| Crystal structure of the N-terminal KH domain of human BICC1 | Descriptor: | 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, CHLORIDE ION, Protein bicaudal C homolog 1, ... | Authors: | Newman, J.A, Katis, V.L, Shrestha, L, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2018-06-28 | Release date: | 2018-07-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.986 Å) | Cite: | Crystal structure of the N-terminal KH domain of human BICC1 To Be Published
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7YCL
| Crystal structure of SARS-CoV-2 Spike RBD in complex with IS-9A Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, IS-9A Fab heavy chain, IS-9A Fab light chain, ... | Authors: | Mohapatra, A, Chen, X. | Deposit date: | 2022-07-01 | Release date: | 2023-02-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Structural basis for a conserved neutralization epitope on the receptor-binding domain of SARS-CoV-2. Nat Commun, 14, 2023
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6YNB
| Crystal structure of cAMP-dependent Protein Kinase (PKA) in complex with short-chain Fasudil-derivative N-(2-aminoethyl)isoquinoline-5-sulfonamide (soaked) | Descriptor: | DIMETHYL SULFOXIDE, N-(2-AMINOETHYL)ISOQUINOLINE-5-SULFONAMIDE, cAMP-dependent protein kinase catalytic subunit alpha, ... | Authors: | Oebbeke, M, Wienen-Schmidt, B, Heine, A, Klebe, G. | Deposit date: | 2020-04-13 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Two Methods, One Goal: Structural Differences between Cocrystallization and Crystal Soaking to Discover Ligand Binding Poses. Chemmedchem, 16, 2021
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8QX0
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6SWS
| The DBB dimerization domain of B-cell adaptor for PI3K (BCAP) is required for down regulation of inflammatory signalling through the Toll-like receptor pathway | Descriptor: | Phosphoinositide 3-kinase adapter protein 1 | Authors: | Lauenstein, J.U, Scherm, M.J, Udgata, A, Moncrieffe, M.C, Fisher, D, Gay, N.J. | Deposit date: | 2019-09-23 | Release date: | 2020-02-19 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Negative Regulation of TLR Signaling by BCAP Requires Dimerization of Its DBB Domain. J Immunol., 204, 2020
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6W2Z
| Crystal Structure of the Beta Lactamase Class A PenP from Bacillus subtilis in the Complex with the Non-beta- lactam Beta-lactamase Inhibitor Avibactam | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, Beta-lactamase, ... | Authors: | Kim, Y, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-03-08 | Release date: | 2020-03-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal Structure of the Beta Lactamase Class A PenP from Bacillus subtilis in the Complex with the Non-beta- lactam Beta-lactamase Inhibitor Avibactam To Be Published
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5HR1
| Crystal structure of thioredoxin L107A mutant | Descriptor: | COPPER (II) ION, Thioredoxin-1 | Authors: | Noguera, M.E, Vazquez, D.S, Howard, E.I, Cousido-Siah, A, Mitschler, A, Podjarny, A, Santos, J. | Deposit date: | 2016-01-22 | Release date: | 2017-02-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.144 Å) | Cite: | Structural variability of E. coli thioredoxin captured in the crystal structures of single-point mutants. Sci Rep, 7, 2017
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4YXP
| The structure of the folded domain of the signature multifunctional protein ICP27 from herpes simplex virus-1 reveals an intertwined dimer. | Descriptor: | ZINC ION, mRNA export factor | Authors: | Tunnicliffe, R.B, Schacht, M, Levy, C.W, Jowitt, T.A, Sandri-Goldin, R.M, Golovanov, A.P. | Deposit date: | 2015-03-23 | Release date: | 2015-06-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | The structure of the folded domain from the signature multifunctional protein ICP27 from herpes simplex virus-1 reveals an intertwined dimer. Sci Rep, 5, 2015
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7YCN
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8OOR
| CryoEM Structure INO80core Hexasome complex Rvb core refinement state2 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin-related protein 5, ... | Authors: | Zhang, M, Jungblut, A, Hoffmann, T, Eustermann, S. | Deposit date: | 2023-04-05 | Release date: | 2023-07-26 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.87 Å) | Cite: | Hexasome-INO80 complex reveals structural basis of noncanonical nucleosome remodeling. Science, 381, 2023
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6SRS
| Structure of the Fanconi anaemia core subcomplex | Descriptor: | Fanconi anaemia protein FANCL, Unassigned secondary structure elements (central region, proposed FANCB-FAAP100), ... | Authors: | Shakeel, S, Rajendra, E, Alcon, P, He, S, Scheres, S.H.W, Passmore, L.A. | Deposit date: | 2019-09-05 | Release date: | 2019-11-06 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (4.6 Å) | Cite: | Structure of the Fanconi anaemia monoubiquitin ligase complex. Nature, 575, 2019
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4RWN
| Crystal structure of the pre-reactive state of porcine OAS1 | Descriptor: | 2'-5'-oligoadenylate synthase 1, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION, ... | Authors: | Lohoefener, J, Steinke, N, Kay-Fedorov, P, Baruch, P, Nikulin, A, Tishchenko, S, Manstein, D.J, Fedorov, R. | Deposit date: | 2014-12-05 | Release date: | 2015-05-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Activation Mechanism of 2'-5'-Oligoadenylate Synthetase Gives New Insights Into OAS/cGAS Triggers of Innate Immunity. Structure, 23, 2015
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4RRA
| N-terminal editing domain of threonyl-tRNA synthetase from Aeropyrum pernix with L-Thr3AA (snapshot 1) | 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 (1.7 Å) | Cite: | Specificity and catalysis hardwired at the RNA-protein interface in a translational proofreading enzyme. Nat Commun, 6, 2015
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6W5J
| 1.85 A resolution structure of Norovirus 3CL protease in complex with inhibitor 7d | Descriptor: | 2-(3-chlorophenyl)-2-methylpropyl [(2S)-3-cyclohexyl-1-({(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}amino)-1-oxopropan-2-yl]carbamate, 3C-LIKE PROTEASE | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Rathnayake, A.D, Kim, Y, Chang, K.O, Groutas, W.C. | Deposit date: | 2020-03-13 | Release date: | 2020-09-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure-Guided Optimization of Dipeptidyl Inhibitors of Norovirus 3CL Protease. J.Med.Chem., 63, 2020
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5IQM
| Crystal structure of the E. coli type 1 pilus subunit FimG (engineered variant with substitution Q134E; N-terminal FimG residues 1-12 truncated) in complex with the donor strand peptide DsF_T4R-T6R-D13N | Descriptor: | COBALT (II) ION, Protein FimF, Protein FimG | Authors: | Giese, C, Eras, J, Kern, A, Scharer, M.A, Capitani, G, Glockshuber, R. | Deposit date: | 2016-03-11 | Release date: | 2016-07-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Accelerating the Association of the Most Stable Protein-Ligand Complex by More than Two Orders of Magnitude. Angew.Chem.Int.Ed.Engl., 55, 2016
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7KG1
| Structure of human PARG complexed with PARG-002 | Descriptor: | 1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]amino}-3,7-dihydro-1H-purine-2,6-dione, CACODYLATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Brosey, C.A, Balapiti-Modarage, L.P.F, Warden, L.S, Jones, D.E, Ahmed, Z, Tainer, J.A. | Deposit date: | 2020-10-15 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors. Prog.Biophys.Mol.Biol., 163, 2021
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4YZ4
| Crystal Structure of Streptococcus pneumoniae NanC, in complex with N-Acetylneuraminic acid. | Descriptor: | N-acetyl-alpha-neuraminic acid, SULFATE ION, Sialidase, ... | Authors: | Lukacik, P, Owen, C.D, Potter, J.A, Taylor, G.L, Walsh, M.A. | Deposit date: | 2015-03-24 | Release date: | 2015-09-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Streptococcus pneumoniae NanC: STRUCTURAL INSIGHTS INTO THE SPECIFICITY AND MECHANISM OF A SIALIDASE THAT PRODUCES A SIALIDASE INHIBITOR. J.Biol.Chem., 290, 2015
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