7AIZ
 
 | | Vanadium nitrogenase VFe protein, high CO state | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-HYDROXY-3-CARBOXY-ADIPIC ACID, ... | | Authors: | Rohde, M, Einsle, O. | | Deposit date: | 2020-09-28 | | Release date: | 2021-06-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Two ligand-binding sites in CO-reducing V nitrogenase reveal a general mechanistic principle.
Sci Adv, 7, 2021
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7TM4
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7AXN
 | | 14-3-3 sigma in complex with Pin1 binding site pS72 and covalently bound TCF521-026 | | Descriptor: | 14-3-3 protein sigma, 3-chloranyl-4-imidazol-1-yl-benzaldehyde, CALCIUM ION, ... | | Authors: | Wolter, M, Dijck, L.v, Ottmann, C. | | Deposit date: | 2020-11-10 | | Release date: | 2021-06-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions.
J.Am.Chem.Soc., 143, 2021
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6QJ3
 | | Crystal structure of the C. thermophilum condensin Ycs4-Brn1 subcomplex | | Descriptor: | Brn1, Condensin complex subunit 1,Condensin complex subunit 1,Ycs4, Condensin complex subunit 2 | | Authors: | Hassler, M, Haering, C.H, Kschonsak, M. | | Deposit date: | 2019-01-22 | | Release date: | 2019-07-03 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structural Basis of an Asymmetric Condensin ATPase Cycle.
Mol.Cell, 74, 2019
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7AYF
 | | 14-3-3 sigma with Pin1 binding site pS72 and covalently bound TCF521-110 | | Descriptor: | 14-3-3 protein sigma, 6-(2-bromanylimidazol-1-yl)pyridine-3-carbaldehyde, CALCIUM ION, ... | | Authors: | Wolter, M, Dijck, L.v, Ottmann, C. | | Deposit date: | 2020-11-12 | | Release date: | 2021-06-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.752 Å) | | Cite: | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions.
J.Am.Chem.Soc., 143, 2021
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7TMD
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7TLF
 | | Structure of the photoacclimated Light Harvesting Complex PE545 from Proteomonas sulcata | | Descriptor: | 15,16-DIHYDROBILIVERDIN, PHYCOERYTHROBILIN, Phycoerythrin alpha-subunit 1, ... | | Authors: | Jeffrey, P.D, Spangler, L.C, Scholes, G.D. | | Deposit date: | 2022-01-18 | | Release date: | 2022-02-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Controllable Phycobilin Modification: An Alternative Photoacclimation Response in Cryptophyte Algae.
Acs Cent.Sci., 8, 2022
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7AZW
 | | Crystal structure of the MIZ1-BTB-domain | | Descriptor: | GLYCEROL, Zinc finger and BTB domain-containing protein 17 isoform X1 | | Authors: | Orth, B, Sander, B, Diederichs, K, Lorenz, S. | | Deposit date: | 2020-11-17 | | Release date: | 2021-06-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Identification of an atypical interaction site in the BTB domain of the MYC-interacting zinc-finger protein 1.
Structure, 29, 2021
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7AKR
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8B25
 | | Dihydroprecondylocarpine acetate synthase 2 from Tabernanthe iboga - stemmadenine acetate bound structure | | Descriptor: | 1,2-ETHANEDIOL, Dihydroprecondylocarpine acetate synthase 2, SULFATE ION, ... | | Authors: | Langley, C, Basquin, J, Caputi, L, O'Connor, S.E. | | Deposit date: | 2022-09-13 | | Release date: | 2022-10-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Expansion of the Catalytic Repertoire of Alcohol Dehydrogenases in Plant Metabolism.
Angew.Chem.Int.Ed.Engl., 61, 2022
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6YTE
 | | CLK1 bound with benzothiazole Tg003 (Cpd 2) | | Descriptor: | (1~{Z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one, Dual specificity protein kinase CLK1 | | Authors: | Schroeder, M, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-04-24 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity.
J.Med.Chem., 63, 2020
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6QEN
 | | Crystal structure of Porcine Pancreatic Elastase (PPE) in complex with the 3-Oxo-beta-Sultam inhibitor LMC240 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1-[[1-[(4-bromophenyl)methyl]-1,2,3-triazol-4-yl]methylamino]-2-methyl-1-oxidanylidene-propane-2-sulfonic acid, Chymotrypsin-like elastase family member 1, ... | | Authors: | Brito, J.A, Almeida, V.T, Carvalho, L.M, Moreira, R, Archer, M. | | Deposit date: | 2019-01-08 | | Release date: | 2020-03-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.195 Å) | | Cite: | 3-Oxo-beta-sultam as a Sulfonylating Chemotype for Inhibition of Serine Hydrolases and Activity-Based Protein Profiling.
Acs Chem.Biol., 15, 2020
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8AO7
 | | Specific covalent inhibitor (8) of ERK2 | | Descriptor: | 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ... | | Authors: | Cleasby, A. | | Deposit date: | 2022-08-08 | | Release date: | 2022-09-28 | | Last modified: | 2022-10-05 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor.
J.Med.Chem., 65, 2022
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7AZ2
 | | 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1014 | | Descriptor: | 1-[4-methyl-2-(trifluoromethyl)phenyl]-2-phenyl-imidazole, 14-3-3 protein sigma, CALCIUM ION, ... | | Authors: | Wolter, M, Dijck, L.v, Ottmann, C. | | Deposit date: | 2020-11-14 | | Release date: | 2021-06-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.081 Å) | | Cite: | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions.
J.Am.Chem.Soc., 143, 2021
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7TQ7
 | | Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 13c | | Descriptor: | N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[(1R,2R)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucinamide, Orf1a protein, TETRAETHYLENE GLYCOL | | Authors: | Lovell, S, Liu, L, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | | Deposit date: | 2022-01-26 | | Release date: | 2022-02-09 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023
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6H6A
 | | Crystal structure of UNC119 in complex with LCK peptide | | Descriptor: | GLY-CYS-GLY-CYS-SER-SER, GLYCEROL, MYRISTIC ACID, ... | | Authors: | Yelland, T, ElMaghloob, Y, McIlwraith, M, Stephen, L, Ismail, S. | | Deposit date: | 2018-07-26 | | Release date: | 2018-09-26 | | Last modified: | 2019-11-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Ciliary Machinery Is Repurposed for T Cell Immune Synapse Trafficking of LCK.
Dev.Cell, 47, 2018
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6QL7
 | | Structure of fatty acid synthase complex with bound gamma subunit from Saccharomyces cerevisiae at 4.6 angstrom | | Descriptor: | Fatty acid synthase subunit alpha, Fatty acid synthase subunit beta, Translation machinery-associated protein 17 | | Authors: | Singh, K, Graf, B, Linden, A, Sautner, V, Urlaub, H, Tittmann, K, Stark, H, Chari, A. | | Deposit date: | 2019-01-31 | | Release date: | 2020-03-18 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (4.6 Å) | | Cite: | Discovery of a Regulatory Subunit of the Yeast Fatty Acid Synthase.
Cell, 180, 2020
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7AKS
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8AOE
 | | Specific covalent inhibitor(15) of ERK2 | | Descriptor: | 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ... | | Authors: | Cleasby, A. | | Deposit date: | 2022-08-08 | | Release date: | 2022-09-28 | | Last modified: | 2023-05-24 | | Method: | X-RAY DIFFRACTION (1.687 Å) | | Cite: | X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor.
J.Med.Chem., 65, 2022
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7AOG
 | | 14-3-3 sigma in complex with Pin1 binding site pS72 | | Descriptor: | 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. | | Deposit date: | 2020-10-14 | | Release date: | 2021-06-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions.
J.Am.Chem.Soc., 143, 2021
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6YUD
 | | Structure of Csx3/Crn3 from Archaeoglobus fulgidus in complex with cyclic tetra-adenylate (cA4) | | Descriptor: | Cyclic tetraadenosine monophosphate (cA4), Uncharacterized protein AF_1864 | | Authors: | McQuarrie, S, Gloster, T.M, White, M.F, Graham, S, Athukoralage, J.S, Gruschow, S. | | Deposit date: | 2020-04-27 | | Release date: | 2020-08-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Tetramerisation of the CRISPR ring nuclease Crn3/Csx3 facilitates cyclic oligoadenylate cleavage.
Elife, 9, 2020
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6GNR
 | | Crystal Structure Of Sea Bream Transthyretin in complex with 2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid (Clonixin) | | Descriptor: | 2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid, Transthyretin | | Authors: | Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E. | | Deposit date: | 2018-05-31 | | Release date: | 2018-07-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals.
Environ. Sci. Technol., 52, 2018
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7AZ1
 | | 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1013 | | Descriptor: | 1-[4-methyl-3-(trifluoromethyl)phenyl]-2-phenyl-imidazole, 14-3-3 protein sigma, CALCIUM ION, ... | | Authors: | Wolter, M, Dijck, L.v, Ottmann, C. | | Deposit date: | 2020-11-14 | | Release date: | 2021-06-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions.
J.Am.Chem.Soc., 143, 2021
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6IU9
 | | Crystal structure of cytoplasmic metal binding domain with iron ions | | Descriptor: | FE (II) ION, VIT1, ZINC ION | | Authors: | Kato, T, Nishizawa, T, Yamashita, K, Kumazaki, K, Ishitani, R, Nureki, O. | | Deposit date: | 2018-11-27 | | Release date: | 2019-02-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of plant vacuolar iron transporter VIT1.
Nat Plants, 5, 2019
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6GUV
 | | BTB domain of mouse PATZ1 | | Descriptor: | POZ (BTB) and AT hook-containing zinc finger 1 | | Authors: | Alt, A, Piepoli, S, Erman, B, Mancini, E.J. | | Deposit date: | 2018-06-19 | | Release date: | 2019-10-09 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Structural analysis of the PATZ1 BTB domain homodimer
Acta Crystallogr.,Sect.D, 2020
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