8KEI
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![BU of 8kei by Molmil](/molmil-images/mine/8kei) | Cryo-EM structure of NADPH oxidase 2 in complex with p22phox and EROS | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Liang, S.Y, Liu, A.J, Liu, Y.Z, Ye, R.D. | Deposit date: | 2023-08-11 | Release date: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.56 Å) | Cite: | Cryo-EM structure of NADPH oxidase 2 in complex with p22phox and EROS To Be Published
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6YBQ
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![BU of 6ybq by Molmil](/molmil-images/mine/6ybq) | Engineered glycolyl-CoA carboxylase (quintuple mutant) with bound CoA | Descriptor: | 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, COENZYME A, Propionyl-CoA carboxylase alpha subunit, ... | Authors: | Schuller, J.M, Schuller, S.K, Zarzycki, J, Scheffen, M, Marchal, D.M, Erb, T.J. | Deposit date: | 2020-03-17 | Release date: | 2020-10-28 | Last modified: | 2021-05-12 | Method: | ELECTRON MICROSCOPY (1.96 Å) | Cite: | A new-to-nature carboxylation module to improve natural and synthetic CO2 fixation Nat Catal, 2021
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7MYM
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![BU of 7mym by Molmil](/molmil-images/mine/7mym) | Crystal structure of Escherichia coli dihydrofolate reductase in complex with TRIMETHOPRIM and NADPH | Descriptor: | ARGININE, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Erlandsen, H, Wright, D, Krucinska, J. | Deposit date: | 2021-05-21 | Release date: | 2022-06-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.04 Å) | Cite: | Structure-guided functional studies of plasmid-encoded dihydrofolate reductases reveal a common mechanism of trimethoprim resistance in Gram-negative pathogens. Commun Biol, 5, 2022
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6SAM
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![BU of 6sam by Molmil](/molmil-images/mine/6sam) | Structure of human butyrylcholinesterase in complex with 1-(2,3-dihydro-1H-inden2-yl)piperidin-3-yl N-phenyl carbamate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Cholinesterase, ... | Authors: | Brazzolotto, X, Kosak, U, Strasek, N, Knez, D, Gobec, S, Nachon, F. | Deposit date: | 2019-07-17 | Release date: | 2020-04-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | N-alkylpiperidine carbamates as potential anti-Alzheimer's agents. Eur.J.Med.Chem., 197, 2020
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7T9L
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![BU of 7t9l by Molmil](/molmil-images/mine/7t9l) | Cryo-EM structure of SARS-CoV-2 Omicron spike protein in complex with human ACE2 (focused refinement of RBD and ACE2) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein | Authors: | Zhu, X, Mannar, D, Saville, J.W, Srivastava, S.S, Berezuk, A.M, Tuttle, K.S, Subramaniam, S. | Deposit date: | 2021-12-19 | Release date: | 2021-12-29 | Last modified: | 2022-07-13 | Method: | ELECTRON MICROSCOPY (2.66 Å) | Cite: | SARS-CoV-2 Omicron variant: Antibody evasion and cryo-EM structure of spike protein-ACE2 complex. Science, 375, 2022
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4UOK
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![BU of 4uok by Molmil](/molmil-images/mine/4uok) | Electron Cryo-microscopy of Venezuelan Equine Encephalitis Virus TC-83 in complex with neutralizing antibody Fab 3B4C-4 | Descriptor: | FAB FRAGMENT HEAVY CHAIN, FAB FRAGMENT LIGHT CHAIN | Authors: | Porta, J, Jose, J, Roehrig, J.T, Blair, C.D, Kuhn, R.J, Rossmann, M.G. | Deposit date: | 2014-06-04 | Release date: | 2014-09-17 | Last modified: | 2019-05-29 | Method: | ELECTRON MICROSCOPY (18 Å) | Cite: | Locking and blocking the viral landscape of an alphavirus with neutralizing antibodies. J.Virol., 88, 2014
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4Y16
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![BU of 4y16 by Molmil](/molmil-images/mine/4y16) | Crystal structure of the mCD1d/NC-aGC/iNKTCR ternary complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zajonc, D.M, Nemcovic, M. | Deposit date: | 2015-02-06 | Release date: | 2015-06-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Lipid and Carbohydrate Modifications of alpha-Galactosylceramide Differently Influence Mouse and Human Type I Natural Killer T Cell Activation. J.Biol.Chem., 290, 2015
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7MYJ
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![BU of 7myj by Molmil](/molmil-images/mine/7myj) | Structure of full length human AMPK (a2b1g1) in complex with a small molecule activator MSG011 | Descriptor: | (5S,6R,7R,9R,13cR,14R,16aS)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,14,15,16,16a-octahydro-5H,13cH-5,9-epoxy-4b,9a,1 5-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-ol, 5'-AMP-activated protein kinase catalytic subunit alpha-2, 5'-AMP-activated protein kinase subunit beta-1, ... | Authors: | Ovens, A.J, Gee, Y.S, Ling, N.X.Y, Waters, N.J, Yu, D, Scott, J.W, Parker, M.W, Hoffman, N.J, Kemp, B.E, Baell, J.B, Oakhill, J.S, Langendorf, C.G. | Deposit date: | 2021-05-21 | Release date: | 2022-06-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structure-function analysis of the AMPK activator SC4 and identification of a potent pan AMPK activator. Biochem.J., 479, 2022
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8BZS
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![BU of 8bzs by Molmil](/molmil-images/mine/8bzs) | The crystal structure of glycogen phosphorylase in complex with baicalein | Descriptor: | 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one, Glycogen phosphorylase, muscle form, ... | Authors: | Koulas, S.M, Mathomes, R, Hayes, J.M, Leonidas, D.D. | Deposit date: | 2022-12-15 | Release date: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Multidisciplinary docking, kinetics and X-ray crystallography studies of baicalein acting as a glycogen phosphorylase inhibitor and determination of its' potential against glioblastoma in cellular models. Chem.Biol.Interact., 382, 2023
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6YOV
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![BU of 6yov by Molmil](/molmil-images/mine/6yov) | OCT4-SOX2-bound nucleosome - SHL+6 | Descriptor: | DNA (142-MER), Green fluorescent protein,POU domain, class 5, ... | Authors: | Michael, A.K, Kempf, G, Cavadini, S, Bunker, R.D, Thoma, N.H. | Deposit date: | 2020-04-15 | Release date: | 2020-05-06 | Last modified: | 2020-07-08 | Method: | ELECTRON MICROSCOPY (3.42 Å) | Cite: | Mechanisms of OCT4-SOX2 motif readout on nucleosomes. Science, 368, 2020
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6SDG
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![BU of 6sdg by Molmil](/molmil-images/mine/6sdg) | |
5MES
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![BU of 5mes by Molmil](/molmil-images/mine/5mes) | MCL1 FAB COMPLEX IN COMPLEX WITH COMPOUND 29 | Descriptor: | (5~{R},13~{S},17~{S})-5-[[4-chloranyl-3-(2-phenylethyl)phenyl]methyl]-13-[(4-chlorophenyl)methyl]-8-methyl-1,4,8,12,16-pentazatricyclo[15.8.1.0^{20,25}]hexacosa-20(25),21,23-triene-3,7,15,26-tetrone, Heavy Chain, Induced myeloid leukemia cell differentiation protein Mcl-1 homolog,Induced myeloid leukemia cell differentiation protein Mcl-1, ... | Authors: | Hargreaves, D. | Deposit date: | 2016-11-16 | Release date: | 2017-01-18 | Last modified: | 2017-03-08 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl-1 Inhibitors. ACS Med Chem Lett, 8, 2017
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8TLN
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![BU of 8tln by Molmil](/molmil-images/mine/8tln) | |
7NAE
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![BU of 7nae by Molmil](/molmil-images/mine/7nae) | Crystal structure of Escherichia coli dihydrofolate reductase in complex with TRIMETHOPRIM | Descriptor: | Dihydrofolate reductase, SULFATE ION, TRIMETHOPRIM | Authors: | Estrada, A, Wright, D, Krucinska, J, Erlandsen, H. | Deposit date: | 2021-06-21 | Release date: | 2022-06-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure-guided functional studies of plasmid-encoded dihydrofolate reductases reveal a common mechanism of trimethoprim resistance in Gram-negative pathogens. Commun Biol, 5, 2022
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7N7V
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![BU of 7n7v by Molmil](/molmil-images/mine/7n7v) | Crystal structure of TtnM, a Fe(II)-alpha-ketoglutarate-dependent hydroxylase from the tautomycetin biosynthesis pathway in Streptomyces griseochromogenes at 2 A. | Descriptor: | CHLORIDE ION, FE (II) ION, Predicted hydroxylase | Authors: | Han, L, Xu, W, Ma, M, Miller, M.D, Shen, B, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2021-06-11 | Release date: | 2022-07-06 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structure of TtnM, a Fe(II)-alpha-ketoglutarate-dependent hydroxylase from the tautomycetin biosynthesis pathway in Streptomyces griseochromogenes. To Be Published
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6N9H
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![BU of 6n9h by Molmil](/molmil-images/mine/6n9h) | De novo designed homo-trimeric amantadine-binding protein | Descriptor: | (3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-amine, SODIUM ION, amantadine-binding protein | Authors: | Park, J, Baker, D. | Deposit date: | 2018-12-03 | Release date: | 2019-12-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.039 Å) | Cite: | De novo design of a homo-trimeric amantadine-binding protein. Elife, 8, 2019
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7N3Z
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![BU of 7n3z by Molmil](/molmil-images/mine/7n3z) | Crystal Structure of Saccharomyces cerevisiae Apn2 Catalytic Domain | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DNA-(apurinic or apyrimidinic site) endonuclease 2, ... | Authors: | Wojtaszek, J.L, Wallace, B.D, Williams, R.S. | Deposit date: | 2021-06-02 | Release date: | 2022-09-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Molecular basis for processing of topoisomerase 1-triggered DNA damage by Apn2/APE2. Cell Rep, 41, 2022
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8KFT
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![BU of 8kft by Molmil](/molmil-images/mine/8kft) | Crystal structure of ZmMOC1 in complex with a nicked Holliday junction soaked in Mn2+ for 15 seconds | Descriptor: | DNA (25-MER), DNA (33-MER), DNA (5'-D(P*CP*AP*CP*GP*AP*TP*TP*G)-3'), ... | Authors: | Zhang, D, Luo, Z, Lin, Z. | Deposit date: | 2023-08-16 | Release date: | 2024-06-26 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | MOC1 cleaves Holliday junctions through a cooperative nick and counter-nick mechanism mediated by metal ions. Nat Commun, 15, 2024
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8KFU
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![BU of 8kfu by Molmil](/molmil-images/mine/8kfu) | Crystal structure of ZmMOC1 in complex with a nicked Holliday junction soaked in Mn2+ for 180 seconds | Descriptor: | 1,2-ETHANEDIOL, DNA (25-MER), DNA (33-MER), ... | Authors: | Zhang, D, Luo, Z, Lin, Z. | Deposit date: | 2023-08-16 | Release date: | 2024-06-26 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | MOC1 cleaves Holliday junctions through a cooperative nick and counter-nick mechanism mediated by metal ions. Nat Commun, 15, 2024
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8KFW
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![BU of 8kfw by Molmil](/molmil-images/mine/8kfw) | Crystal structure of ZmMOC1 K229A in complex with a nicked Holliday junction soaked in Mn2+ for 600 seconds | Descriptor: | 1,2-ETHANEDIOL, DNA (26-MER), DNA (33-MER), ... | Authors: | Zhang, D, Luo, Z, Lin, Z. | Deposit date: | 2023-08-16 | Release date: | 2024-06-26 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | MOC1 cleaves Holliday junctions through a cooperative nick and counter-nick mechanism mediated by metal ions. Nat Commun, 15, 2024
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8KFS
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![BU of 8kfs by Molmil](/molmil-images/mine/8kfs) | Crystal structure of ZmMOC1/nicked Holliday junction complex at ground state | Descriptor: | DNA (25-MER), DNA (33-MER), DNA (5'-D(P*CP*AP*CP*GP*AP*TP*TP*G)-3'), ... | Authors: | Zhang, D, Luo, Z, Lin, Z. | Deposit date: | 2023-08-16 | Release date: | 2024-06-26 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | MOC1 cleaves Holliday junctions through a cooperative nick and counter-nick mechanism mediated by metal ions. Nat Commun, 15, 2024
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6YID
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![BU of 6yid by Molmil](/molmil-images/mine/6yid) | Crystal structure of ULK2 in complex with SBI-0206965 | Descriptor: | 2-({5-bromo-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}oxy)-N-methylbenzene-1-carboximidic acid, Serine/threonine-protein kinase ULK2 | Authors: | Chaikuad, A, Ren, H, Bakas, N.A, Lambert, L.J, Cosford, N.D.P, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-04-01 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Design, Synthesis, and Characterization of an Orally Active Dual-Specific ULK1/2 Autophagy Inhibitor that Synergizes with the PARP Inhibitor Olaparib for the Treatment of Triple-Negative Breast Cancer. J.Med.Chem., 63, 2020
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7AH3
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![BU of 7ah3 by Molmil](/molmil-images/mine/7ah3) | Kinase domain of cSrc in complex with a pyrazolopyrimidine | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Dello Iacono, L, Kleinboelting, S, Fallacara, A.L, Rauh, D. | Deposit date: | 2020-09-24 | Release date: | 2021-10-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Insights into the binding of pyrazolopyrimidines to Src kinase To Be Published
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7PV5
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![BU of 7pv5 by Molmil](/molmil-images/mine/7pv5) | RBD domain of D. melanogaster tRNA (uracil-5-)-methyltransferase homolog A (TRMT2A) | Descriptor: | CHLORIDE ION, FI05218p, SODIUM ION, ... | Authors: | Witzenberger, M, Janowski, R, Niessing, D. | Deposit date: | 2021-10-01 | Release date: | 2023-04-19 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of the RNA-recognition motif of Drosophila melanogaster tRNA (uracil-5-)-methyltransferase homolog A Acta Crystallogr.,Sect.F, 80, 2024
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7PVL
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![BU of 7pvl by Molmil](/molmil-images/mine/7pvl) | |