7JXT
 
 | | Ovine COX-1 in complex with the subtype-selective derivative 2a | | Descriptor: | 2-[4,5-bis(2-chlorophenyl)-1H-imidazol-2-yl]-6-(prop-2-en-1-yl)phenyl methoxyacetate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Ko, Y, Iaselli, M, Miciaccia, M, Friedrich, L, Schneider, G, Scilimati, A, Cingolani, G. | | Deposit date: | 2020-08-27 | | Release date: | 2021-09-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.35 Å) | | Cite: | Learning from Nature: From a Marine Natural Product to Synthetic Cyclooxygenase-1 Inhibitors by Automated De Novo Design.
Adv Sci, 8, 2021
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8EXR
 | | Cryo-EM structure of S. aureus BlaR1 TM and zinc metalloprotease domain | | Descriptor: | (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE, Beta-lactam sensor/signal transducer BlaR1, PHOSPHATE ION, ... | | Authors: | Worrall, L.J, Alexander, J.A.N, Vuckovic, M, Strynadka, N.C.J. | | Deposit date: | 2022-10-25 | | Release date: | 2023-01-11 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural basis of broad-spectrum beta-lactam resistance in Staphylococcus aureus.
Nature, 613, 2023
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8OOM
 | | Structural and functional studies of geldanamycin amide synthase ShGdmF | | Descriptor: | (2R)-2,4-dihydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide, ACETATE ION, GdmF | | Authors: | Ewert, W, Zeilinger, C, Kirschning, A, Preller, M. | | Deposit date: | 2023-04-05 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Structural and functional studies of geldanamycin amide synthase ShGdmF
To Be Published
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7COZ
 | | Crystal Structure of double mutant Y115E Y117E human Secretory Glutaminyl Cyclase in complex with LSB-41 | | Descriptor: | 1,2-ETHANEDIOL, 1-[3-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)propanoyl]piperidine-4-carboxamide, Glutaminyl-peptide cyclotransferase, ... | | Authors: | Dileep, K.V, Ihara, K, Sakai, N, Shirozu, M, Zhang, K.Y.J. | | Deposit date: | 2020-08-05 | | Release date: | 2021-01-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Piperidine-4-carboxamide as a new scaffold for designing secretory glutaminyl cyclase inhibitors.
Int.J.Biol.Macromol., 170, 2020
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8OV8
 | | Crystal structure of Ene-reductase 1 from black poplar mushroom in complex to NADP | | Descriptor: | Ene-reductase 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SODIUM ION, ... | | Authors: | Korf, L, Essen, L.-O, Karrer, D, Ruehl, M. | | Deposit date: | 2023-04-25 | | Release date: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Shifting the substrate scope of an ene/yne-reductase by loop engineering
To Be Published
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8EXQ
 | | Cryo-EM structure of S. aureus BlaR1 with C1 symmetry | | Descriptor: | Beta-lactam sensor/signal transducer BlaR1, ZINC ION | | Authors: | Worrall, L.J, Alexander, J.A.N, Vuckovic, M, Strynadka, N.C.J. | | Deposit date: | 2022-10-25 | | Release date: | 2023-01-11 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (4.9 Å) | | Cite: | Structural basis of broad-spectrum beta-lactam resistance in Staphylococcus aureus.
Nature, 613, 2023
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7R9Z
 | | LC3A in complex with Fragment 2-3 | | Descriptor: | (5-fluoro-1H-indol-3-yl)acetic acid, Microtubule-associated proteins 1A/1B light chain 3A | | Authors: | Rouge, L, Steffek, M, Helgason, E, Dueber, E, Mulvihill, M. | | Deposit date: | 2021-06-29 | | Release date: | 2022-01-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | A Multifaceted Hit-Finding Approach Reveals Novel LC3 Family Ligands.
Biochemistry, 62, 2023
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8OLJ
 | | Crystal structure of Archaeoglobus fulgidus AfAgo-N protein representing N-L1-L2 domains | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETIC ACID, Archaeoglobus fulgidus AfAgo-N protein representing N-L1-L2 domains, ... | | Authors: | Manakova, E.N, Zaremba, M, Grazulis, S. | | Deposit date: | 2023-03-30 | | Release date: | 2024-01-24 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The missing part: the Archaeoglobus fulgidus Argonaute forms a functional heterodimer with an N-L1-L2 domain protein.
Nucleic Acids Res., 52, 2024
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6C5R
 | | Crystal structure of the soluble domain of the mitochondrial calcium uniporter | | Descriptor: | calcium uniporter | | Authors: | Fan, C, Fan, M, Fastman, N, Zhang, J, Feng, L. | | Deposit date: | 2018-01-16 | | Release date: | 2018-07-11 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.09608316 Å) | | Cite: | X-ray and cryo-EM structures of the mitochondrial calcium uniporter.
Nature, 559, 2018
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1VYZ
 | | Structure of CDK2 complexed with PNU-181227 | | Descriptor: | CELL DIVISION PROTEIN KINASE 2, N-(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)BENZAMIDE | | Authors: | Pevarello, P, Brasca, M.G, Amici, R, Orsini, P, Traquandi, G, Corti, L, Piutti, C, Sansonna, P, Villa, M, Pierce, B.S, Pulici, M, Giordano, G, Martina, K, Lfritzen, E, Nugent, R.A, Casale, E, Cameron, A, Ciomei, M, Roletto, F, Isacchi, A, Fogliatto, G, Pesenti, E, Pastori, W, Marsiglio, W, Leach, K.L, Clare, P.M, Fiorentini, F, Varasi, M, Vulpetti, A, Warpehoski, M.A. | | Deposit date: | 2004-05-07 | | Release date: | 2004-06-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | 3-Aminopyrazole Inhibitors of Cdk2/Cyclin a as Antitumor Agents. 1. Lead Finding
J.Med.Chem., 47, 2004
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2QU8
 | | Crystal structure of putative nucleolar GTP-binding protein 1 PFF0625w from Plasmodium falciparum | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Putative nucleolar GTP-binding protein 1 | | Authors: | Wernimont, A.K, Lew, J, Lin, Y.H, Kozieradzki, I, Zhao, Y, Ravichandran, M, Shapiro, M, Bochkarev, A, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Hui, R, Qiu, W, Sukumar, D, Hassanali, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-08-03 | | Release date: | 2007-08-28 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Crystal structure of putative nucleolar GTP-binding protein 1 PFF0625w from Plasmodium falciparum.
To be Published
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7RA0
 | | LC3A in complex with Fragment 2-10 | | Descriptor: | (5-ethyl-2-methyl-1H-indol-3-yl)acetic acid, Microtubule-associated proteins 1A/1B light chain 3A | | Authors: | Rouge, L, Steffek, M, Helgason, E, Dueber, E, Mulvihill, M. | | Deposit date: | 2021-06-29 | | Release date: | 2022-01-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | A Multifaceted Hit-Finding Approach Reveals Novel LC3 Family Ligands.
Biochemistry, 62, 2023
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8OUP
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5D5N
 | | Crystal Structure of the Human Cytomegalovirus pUL50-pUL53 Complex | | Descriptor: | Virion egress protein UL31 homolog, Virion egress protein UL34 homolog, ZINC ION | | Authors: | Walzer, S.A, Egerer-Sieber, C, Hohl, K, Sevvana, M, Muller, Y.A. | | Deposit date: | 2015-08-11 | | Release date: | 2015-10-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Crystal Structure of the Human Cytomegalovirus pUL50-pUL53 Core Nuclear Egress Complex Provides Insight into a Unique Assembly Scaffold for Virus-Host Protein Interactions.
J.Biol.Chem., 290, 2015
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8P4Z
 | | Crystal structure of the human CDK7 kinase domain in complex with LDC4297 | | Descriptor: | 2-[(3R)-piperidin-3-yl]oxy-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine, Cyclin-dependent kinase 7, GLYCEROL, ... | | Authors: | Laursen, M, Caing-Carlsson, R, Houssari, R, Javadi, A, Kimbung, Y.R, Murina, V, Orozco-Rodriguez, J.M, Svensson, A, Welin, M, Logan, D, Svensson, B, Walse, B. | | Deposit date: | 2023-05-23 | | Release date: | 2023-06-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Crystal structure of the human CDK7 kinase domain in complex with LDC4297
To Be Published
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8OIQ
 | | 39S mammalian mitochondrial large ribosomal subunit with mtRF1 and P-site tRNA | | Descriptor: | 16S rRNA, 39S ribosomal protein L1, mitochondrial, ... | | Authors: | Saurer, M, Leibundgut, M, Scaiola, A, Schoenhut, T, Ban, N. | | Deposit date: | 2023-03-23 | | Release date: | 2023-06-14 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Molecular basis of translation termination at noncanonical stop codons in human mitochondria.
Science, 380, 2023
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5JIO
 | | Structure of Mycobacterium thermoresistibile trehalose-6-phosphate synthase ternary complex with ADP and Glucose-6-phosphate. | | Descriptor: | 1,2-ETHANEDIOL, 6-O-phosphono-alpha-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Mendes, V, Verma, N, Blaszczyk, M, Blundell, T.L. | | Deposit date: | 2016-04-22 | | Release date: | 2017-05-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.711 Å) | | Cite: | Mycobacterial OtsA Structures Unveil Substrate Preference Mechanism and Allosteric Regulation by 2-Oxoglutarate and 2-Phosphoglycerate.
Mbio, 10, 2019
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6KIL
 | | N21Q mutant thioredoxin from Halobacterium salinarum NRC-1 | | Descriptor: | Thioredoxin | | Authors: | Arai, S, Shibazaki, C, Shimizu, R, Adachi, M, Ishibashi, M, Tokunaga, H, Tokunaga, M. | | Deposit date: | 2019-07-19 | | Release date: | 2020-01-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Catalytic mechanism and evolutional characteristics of thioredoxin from Halobacterium salinarum NRC-1.
Acta Crystallogr.,Sect.D, 76, 2020
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8OOG
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6FKY
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2VKR
 | | 3Fe-4S, 4Fe-4S plus Zn Acidianus ambivalens ferredoxin | | Descriptor: | FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, ZINC ION, ... | | Authors: | Frazao, C, Aragao, D, Coelho, R, Leal, S.S, Gomes, C.M, Teixeira, M, Carrondo, M.A. | | Deposit date: | 2007-12-23 | | Release date: | 2008-03-04 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Crystallographic analysis of the intact metal centres [3Fe-4S](1+/0) and [4Fe-4S](2+/1+) in a Zn(2+) -containing ferredoxin.
FEBS Lett., 582, 2008
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5T7M
 | | LIGAND BINDING DOMAIN OF PSEUDOMONAS AERUGINOSA PAO1 AMINO ACID CHEMORECEPTOR PCTA IN COMPLEX WITH L-TRP | | Descriptor: | ACETATE ION, Chemotaxis protein, SODIUM ION, ... | | Authors: | Gavira, J.A, Rico-Jimenez, M, Ortega, A, Conejero-Muriel, M, Zhulin, I, Krell, T. | | Deposit date: | 2016-09-05 | | Release date: | 2017-09-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | How Bacterial Chemoreceptors Evolve Novel Ligand Specificities
Mbio, 2020
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5T8F
 | | p110delta/p85alpha with taselisib (GDC-0032) | | Descriptor: | 2-methyl-2-(4-{2-[3-methyl-1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-1H-pyrazol-1-yl)propanamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Moertl, M, Steinbacher, S, Eigenbrot, C. | | Deposit date: | 2016-09-07 | | Release date: | 2017-01-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Structure-Based Design of Tricyclic NF-kappa B Inducing Kinase (NIK) Inhibitors That Have High Selectivity over Phosphoinositide-3-kinase (PI3K).
J. Med. Chem., 60, 2017
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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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6FKG
 | | Crystal structure of the M.tuberculosis MbcT-MbcA toxin-antitoxin complex. | | Descriptor: | GLYCEROL, Rv1989c (MbcT), Rv1990c (MbcA) | | Authors: | Freire, D.M, Cianci, M, Pogenberg, V, Schneider, T.R, Wilmanns, M, Parret, A.H.A. | | Deposit date: | 2018-01-24 | | Release date: | 2019-02-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | An NAD+Phosphorylase Toxin Triggers Mycobacterium tuberculosis Cell Death.
Mol.Cell, 73, 2019
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