1DNO
| A-DNA/RNA DODECAMER R(GCG)D(TATACGC) MG BINDING SITES | Descriptor: | DNA/RNA (5'-R(*GP*CP*GP)-D(*TP*AP*TP*AP*CP*GP*C)-3'), MAGNESIUM ION | Authors: | Robinson, H, Gao, Y.-G, Sanishvili, R, Joachimiak, A, Wang, A.H.-J. | Deposit date: | 1999-12-16 | Release date: | 2000-04-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Hexahydrated magnesium ions bind in the deep major groove and at the outer mouth of A-form nucleic acid duplexes. Nucleic Acids Res., 28, 2000
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3O9U
| Effector domain of influenza A/PR/8/34 NS1 | Descriptor: | Nonstructural protein 1 | Authors: | Kerry, P.S, Lewis, A, Hale, B.G, Hass, C, Taylor, M.A, Randall, R.E, Russell, R.J.M. | Deposit date: | 2010-08-04 | Release date: | 2011-05-11 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | A Transient Homotypic Interaction Model for the Influenza A Virus NS1 Protein Effector Domain. Plos One, 6, 2011
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5MF4
| Tubulin-Dictyostatin complex | Descriptor: | (3~{Z},5~{E},7~{R},8~{S},10~{S},11~{Z},13~{S},14~{R},15~{S},17~{S},20~{R},21~{S},22~{S})-22-[(2~{S},3~{Z})-hexa-3,5-dien-2-yl]-7,13,15,17,21-pentamethyl-8,10,14,20-tetrakis(oxidanyl)-1-oxacyclodocosa-3,5,11-trien-2-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Trigili, C, Barasoain, I, Sanchez-Murcia, P.A, Bargsten, K, Redondo-Horcajo, M, Nogales, A, Gardner, N.M, Meyer, A, Naylor, G.J, Gomez-Rubio, E, Gago, F, Steinmetz, M.O, Paterson, I, Prota, A.E, Diaz, J.F. | Deposit date: | 2016-11-17 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Determinants of the Dictyostatin Chemotype for Tubulin Binding Affinity and Antitumor Activity Against Taxane- and Epothilone-Resistant Cancer Cells. ACS Omega, 1, 2016
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6RVG
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2WAC
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6RKB
| Crystal structure of human monoamine oxidase B in complex with styrylpiperidine analogue 1 | Descriptor: | 4-[(~{E})-2-(4-fluorophenyl)ethenyl]-1-[(~{E})-prop-1-enyl]piperidine, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Iacovino, L.G, Knez, D, Colettis, N, Sova, M, Pislar, A, Higgs, J, Kamecki, F, Mangialavori, I, Dolsak, A, Zakelj, S, Trontelj, J, Kos, J, Marder, N.M, Gobec, S, Binda, C. | Deposit date: | 2019-04-30 | Release date: | 2020-01-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Stereoselective Activity of 1-Propargyl-4-styrylpiperidine-like Analogues That Can Discriminate between Monoamine Oxidase Isoforms A and B. J.Med.Chem., 63, 2020
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6RKP
| Crystal structure of human monoamine oxidase B in complex with styrylpiperidine analogue 84 | Descriptor: | 1-[(~{E})-prop-1-enyl]-4-[(~{E})-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidine, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Iacovino, L.G, Knez, D, Colettis, N, Sova, M, Pislar, A, Higgs, J, Kamecki, F, Mangialavori, I, Dolsak, A, Zakelj, S, Trontelj, J, Kos, J, Marder, N.M, Gobec, S, Binda, C. | Deposit date: | 2019-04-30 | Release date: | 2020-01-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Stereoselective Activity of 1-Propargyl-4-styrylpiperidine-like Analogues That Can Discriminate between Monoamine Oxidase Isoforms A and B. J.Med.Chem., 63, 2020
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1DIG
| HUMAN METHYLENETETRAHYDROFOLATE DEHYDROGENASE / CYCLOHYDROLASE COMPLEXED WITH NADP AND INHIBITOR LY374571 | Descriptor: | ACETATE ION, METHYLENETETRAHYDROFOLATE DEHYDROGENASE / CYCLOHYDROLASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Schmidt, A, Wu, H, MacKenzie, R.E, Chen, V.J, Bewly, J.R, Ray, J.E, Toth, J.E, Cygler, M. | Deposit date: | 1999-11-29 | Release date: | 2000-07-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structures of three inhibitor complexes provide insight into the reaction mechanism of the human methylenetetrahydrofolate dehydrogenase/cyclohydrolase. Biochemistry, 39, 2000
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7QSI
| human Carbonic Anhydrase II in complex with indoline-1-sulfonamide | Descriptor: | 2,3-dihydroindole-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Angeli, A, Ferraroni, M. | Deposit date: | 2022-01-13 | Release date: | 2023-01-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.304 Å) | Cite: | Diversely substituted sulfamides for fragment-based drug discovery of carbonic anhydrase inhibitors: synthesis and inhibitory profile. J Enzyme Inhib Med Chem, 37, 2022
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3O9T
| Effector domain from influenza A/PR/8/34 NS1 | Descriptor: | HEXAETHYLENE GLYCOL, Nonstructural protein 1 | Authors: | Kerry, P.S, Lewis, A, Hale, B.G, Hass, C, Taylor, M.A, Randall, R.E, Russell, R.J.M. | Deposit date: | 2010-08-04 | Release date: | 2011-05-11 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A Transient Homotypic Interaction Model for the Influenza A Virus NS1 Protein Effector Domain. Plos One, 6, 2011
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8AVB
| Cryo-EM structure for mouse leptin in complex with the mouse LEP-R ectodomain (1:2 mLEP:mLEPR model). | Descriptor: | Leptin, Leptin receptor | Authors: | Verstraete, K, Savvides, S.N, Verschueren, K.G, Tsirigotaki, A. | Deposit date: | 2022-08-26 | Release date: | 2023-04-05 | Last modified: | 2024-10-16 | Method: | ELECTRON MICROSCOPY (4.43 Å) | Cite: | Mechanism of receptor assembly via the pleiotropic adipokine Leptin. Nat.Struct.Mol.Biol., 30, 2023
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8QYQ
| Beta-cardiac myosin S1 fragment in the pre-powerstroke state complexed to Mavacamten | Descriptor: | 6-[[(1~{S})-1-phenylethyl]amino]-3-propan-2-yl-1~{H}-pyrimidine-2,4-dione, ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, ... | Authors: | Robert-Paganin, J, Kikuti, C, Auguin, D, Rety, S, David, A, Houdusse, A. | Deposit date: | 2023-10-26 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Omecamtiv mecarbil and Mavacamten target the same myosin pocket despite antagonistic effects in heart contraction. Biorxiv, 2023
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1DD8
| CRYSTAL STRUCTURE OF BETA-KETOACYL-[ACYL CARRIER PROTEIN] SYNTHASE I FROM ESCHERICHIA COLI | Descriptor: | BETA-KETOACYL [ACYL CARRIER PROTEIN] SYNTHASE I | Authors: | Olsen, J.G, Kadziola, A, von Wettstein-Knowles, P, Siggaard-Andersen, M, Lindquist, Y, Larsen, S. | Deposit date: | 1999-11-09 | Release date: | 1999-11-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The X-ray crystal structure of beta-ketoacyl [acyl carrier protein] synthase I. FEBS Lett., 460, 1999
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8QYU
| Beta-cardiac myosin S1 fragment in the pre-powerstroke state complexed to Omecamtiv mecarbil | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DIMETHYL SULFOXIDE, FORMIC ACID, ... | Authors: | Robert-Paganin, J, Kikuti, C, Auguin, D, Rety, S, David, A, Houdusse, A. | Deposit date: | 2023-10-26 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Omecamtiv mecarbil and Mavacamten target the same myosin pocket despite antagonistic effects in heart contraction. Biorxiv, 2023
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8QYP
| Beta-cardiac myosin motor domain in the pre-powerstroke state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Myosin-7, ... | Authors: | Robert-Paganin, J, Kikuti, C, Auguin, D, Rety, S, David, A, Houdusse, A. | Deposit date: | 2023-10-26 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.759 Å) | Cite: | Omecamtiv mecarbil and Mavacamten target the same myosin pocket despite antagonistic effects in heart contraction. Biorxiv, 2023
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5MRF
| Structure of the yeast mitochondrial ribosome - Class C | Descriptor: | 15S ribosomal RNA, 21S ribosomal RNA, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Desai, N, Brown, A, Amunts, A, Ramakrishnan, V. | Deposit date: | 2016-12-22 | Release date: | 2017-02-15 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4.97 Å) | Cite: | The structure of the yeast mitochondrial ribosome. Science, 355, 2017
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8QF2
| Beta-L-Arabinofurano-cyclitol Aziridines are Cysteine-directed Broad-spectrum Inhibitors and Activity-based Probes for Retaining Beta-L-arabinofuranosidases | Descriptor: | (1~{S},2~{S},3~{S},4~{R})-4-azanyl-3-(hydroxymethyl)cyclopentane-1,2-diol, Non-reducing end beta-L-arabinofuranosidase, ZINC ION | Authors: | Borlandelli, V, Offen, W.A, Moroz, O, Nin-Hill, A, McGregor, N, Binkhorst, L, Armstrong, Z, Ishiwata, A, Artola, M, Rovira, C, Davies, G.J, Overkleeft, H. | Deposit date: | 2023-09-02 | Release date: | 2023-12-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | beta-l- Arabino furano-cyclitol Aziridines Are Covalent Broad-Spectrum Inhibitors and Activity-Based Probes for Retaining beta-l-Arabinofuranosidases. Acs Chem.Biol., 18, 2023
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8QYR
| Beta-cardiac myosin motor domain in the pre-powerstroke state complexed to Mavacamten | Descriptor: | 1,2-ETHANEDIOL, 6-[[(1~{S})-1-phenylethyl]amino]-3-propan-2-yl-1~{H}-pyrimidine-2,4-dione, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Robert-Paganin, J, Kikuti, C, Auguin, D, Rety, S, David, A, Houdusse, A. | Deposit date: | 2023-10-26 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Omecamtiv mecarbil and Mavacamten target the same myosin pocket despite antagonistic effects in heart contraction. Biorxiv, 2023
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8QF8
| GH146 beta-L-arabinofuranosidase from Bacteroides thetaioatomicron in complex with beta-l-arabinofurano cyclophellitol aziridine | Descriptor: | (1~{S},2~{S},3~{S},4~{R})-4-azanyl-3-(hydroxymethyl)cyclopentane-1,2-diol, (1~{S},2~{S},3~{S},4~{S},5~{S})-4-(hydroxymethyl)-6-azabicyclo[3.1.0]hexane-2,3-diol, Glycosyl hydrolase, ... | Authors: | Borlandelli, V, Offen, W, Moroz, O.V, Nin-Hill, A, McGregor, N, Binkhorst, L, Armstrong, Z, Ishiwata, A, Artola, M, Rovira, C, Davies, G.J, Overkleeft, H. | Deposit date: | 2023-09-04 | Release date: | 2023-12-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | beta-l- Arabino furano-cyclitol Aziridines Are Covalent Broad-Spectrum Inhibitors and Activity-Based Probes for Retaining beta-l-Arabinofuranosidases. Acs Chem.Biol., 18, 2023
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8Q6M
| Human SOD1 low dose data collecton | Descriptor: | ACETATE ION, COPPER (II) ION, SULFATE ION, ... | Authors: | Antonyuk, S.V, Hossain, A, Agar, J.N, Hasnain, S.S. | Deposit date: | 2023-08-14 | Release date: | 2023-12-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Evaluating protein cross-linking as a therapeutic strategy to stabilize SOD1 variants in a mouse model of familial ALS. Plos Biol., 22, 2024
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2OR0
| Structural Genomics, the crystal structure of a putative hydroxylase from Rhodococcus sp. RHA1 | Descriptor: | ACETATE ION, Hydroxylase | Authors: | Tan, K, Skarina, T, Kagen, O, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2007-02-01 | Release date: | 2007-03-06 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The crystal structure of a putative hydroxylase from Rhodococcus sp. RHA1 To be Published
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1DFE
| NMR STRUCTURE OF RIBOSOMAL PROTEIN L36 FROM THERMUS THERMOPHILUS | Descriptor: | L36 RIBOSOMAL PROTEIN, ZINC ION | Authors: | Hard, T, Rak, A, Allard, P, Kloo, L, Garber, M. | Deposit date: | 1999-11-19 | Release date: | 1999-12-01 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The solution structure of ribosomal protein L36 from Thermus thermophilus reveals a zinc-ribbon-like fold. J.Mol.Biol., 296, 2000
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6P56
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7MHL
| Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 100 K | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION | Authors: | Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A. | Deposit date: | 2021-04-15 | Release date: | 2021-05-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ). Iucrj, 9, 2022
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6RUK
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