1E79
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![BU of 1e79 by Molmil](/molmil-images/mine/1e79) | Bovine F1-ATPase inhibited by DCCD (dicyclohexylcarbodiimide) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP SYNTHASE ALPHA CHAIN HEART ISOFORM, ... | Authors: | Gibbons, C, Montgomery, M.G, Leslie, A.G.W, Walker, J.E. | Deposit date: | 2000-08-25 | Release date: | 2000-11-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The Structure of the Central Stalk in Bovine F(1)-ATPase at 2.4 A Resolution. Nat.Struct.Biol., 7, 2000
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6U0O
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![BU of 6u0o by Molmil](/molmil-images/mine/6u0o) | Crystal structure of a peptidoglycan release complex, SagB-SpdC, in lipidic cubic phase | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(2-ETHOXYETHOXY)ETHANOL, CITRATE ANION, ... | Authors: | Owens, T.W, Schaefer, K, Kahne, D, Walker, S. | Deposit date: | 2019-08-14 | Release date: | 2020-09-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure and reconstitution of a hydrolase complex that may release peptidoglycan from the membrane after polymerization. Nat Microbiol, 6, 2021
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7PQ0
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![BU of 7pq0 by Molmil](/molmil-images/mine/7pq0) | Crystal structure of the Burkholderia Lethal Factor 1 (BLF1) C94S inactive mutant in complex with human eIF4A - Crystal form B | Descriptor: | Burkholderia Lethal Factor 1 (BLF1), Eukaryotic initiation factor 4A-I | Authors: | Mobbs, G.W, Aziz, A.A, Dix, S.R, Blackburn, G.M, Sedelnikova, S.E, Minshull, T.C, Dickman, M.J, Baker, P.J, Nathan, S, Firdaus-Raih, M, Rice, D.W. | Deposit date: | 2021-09-15 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Molecular basis of specificity and deamidation of eIF4A by Burkholderia Lethal Factor 1. Commun Biol, 5, 2022
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6UFX
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![BU of 6ufx by Molmil](/molmil-images/mine/6ufx) | WD repeat-containing protein 5 complexed with N-[(3,5-dimethoxyphenyl)methyl]-4'-fluoro-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-2'-methyl[1,1'-biphenyl]-3-carboxamide (compound 13) | Descriptor: | N-[(3,5-dimethoxyphenyl)methyl]-4'-fluoro-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-2'-methyl[1,1'-biphenyl]-3-carboxamide, WD repeat-containing protein 5 | Authors: | Rietz, T.A, Fesik, S.W, Zhao, B. | Deposit date: | 2019-09-25 | Release date: | 2020-01-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.015 Å) | Cite: | Discovery and Structure-Based Optimization of Potent and Selective WD Repeat Domain 5 (WDR5) Inhibitors Containing a Dihydroisoquinolinone Bicyclic Core. J.Med.Chem., 63, 2020
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2MSB
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![BU of 2msb by Molmil](/molmil-images/mine/2msb) | STRUCTURE OF A C-TYPE MANNOSE-BINDING PROTEIN COMPLEXED WITH AN OLIGOSACCHARIDE | Descriptor: | CALCIUM ION, MANNOSE-BINDING PROTEIN-A, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Weis, W.I, Drickamer, K, Hendrickson, W.A. | Deposit date: | 1992-07-28 | Release date: | 1993-10-31 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of a C-type mannose-binding protein complexed with an oligosaccharide. Nature, 360, 1992
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1SLM
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![BU of 1slm by Molmil](/molmil-images/mine/1slm) | |
5XD0
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![BU of 5xd0 by Molmil](/molmil-images/mine/5xd0) | Apo Structure of Beta-1,3-1,4-glucanase from Paenibacillus sp.X4 | Descriptor: | DI(HYDROXYETHYL)ETHER, Glucanase, TRIETHYLENE GLYCOL | Authors: | Baek, S.C, Ho, T.-H, Kang, L.-W, Kim, H. | Deposit date: | 2017-03-24 | Release date: | 2017-04-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Improvement of enzyme activity of beta-1,3-1,4-glucanase from Paenibacillus sp. X4 by error-prone PCR and structural insights of mutated residues. Appl. Microbiol. Biotechnol., 101, 2017
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1SLN
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5BOC
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![BU of 5boc by Molmil](/molmil-images/mine/5boc) | Crystal structure of topoisomerase ParE inhibitor | Descriptor: | 3-methyl-4-({3-[3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}carbamoyl)benzoic acid, DNA topoisomerase 4 subunit B | Authors: | Tan, Y.W, Chen, G.Y, Hung, A.W, Hill, J. | Deposit date: | 2015-05-27 | Release date: | 2015-06-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Application of Fragment-based Drug Discovery against DNA GyraseB To be published
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5BOD
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![BU of 5bod by Molmil](/molmil-images/mine/5bod) | Crystal structure of Streptococcus pneumonia ParE inhibitor | Descriptor: | (2R)-N-[3-(3,5-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-dioxane-2-carboxamide, DNA topoisomerase 4 subunit B | Authors: | Tan, Y.W, Chen, G, Hung, A.W, Hill, J. | Deposit date: | 2015-05-27 | Release date: | 2015-06-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Application of Fragment-based Drug Discovery against DNA GyraseB to be published
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6XOG
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![BU of 6xog by Molmil](/molmil-images/mine/6xog) | Structure of SUMO1-ML786519 adduct bound to SAE | Descriptor: | SULFATE ION, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ... | Authors: | Sintchak, M, Lane, W, Bump, N. | Deposit date: | 2020-07-07 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer. J.Med.Chem., 64, 2021
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6XOH
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![BU of 6xoh by Molmil](/molmil-images/mine/6xoh) | Structure of SUMO1-ML00789344 adduct bound to SAE | Descriptor: | SULFATE ION, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ... | Authors: | Sintchak, M, Lane, W, Bump, N. | Deposit date: | 2020-07-07 | Release date: | 2021-03-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.226 Å) | Cite: | Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer. J.Med.Chem., 64, 2021
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6XOI
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![BU of 6xoi by Molmil](/molmil-images/mine/6xoi) | Structure of SUMO1-ML00752641 adduct bound to SAE | Descriptor: | SULFATE ION, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ... | Authors: | Sintchak, M, Lane, W, Bump, N. | Deposit date: | 2020-07-07 | Release date: | 2021-03-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer. J.Med.Chem., 64, 2021
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6XFI
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![BU of 6xfi by Molmil](/molmil-images/mine/6xfi) | Crystal Structures of beta-1,4-N-Acetylglucosaminyltransferase 2 (POMGNT2): Structural Basis for Inherited Muscular Dystrophies | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHATE ION, Protein O-linked-mannose beta-1,4-N-acetylglucosaminyltransferase 2, ... | Authors: | Halmo, S.M, Yeh, J, Wells, L, Moremen, K.W, Lanzilotta, W.N. | Deposit date: | 2020-06-15 | Release date: | 2021-04-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of beta-1,4-N-acetylglucosaminyltransferase 2: structural basis for inherited muscular dystrophies. Acta Crystallogr D Struct Biol, 77, 2021
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6XOW
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7Q12
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![BU of 7q12 by Molmil](/molmil-images/mine/7q12) | Human GYS1-GYG1 complex activated state bound to glucose-6-phosphate | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, Glycogen [starch] synthase, muscle, ... | Authors: | McCorvie, T.J, Shrestha, L, Froese, D.S, Ferreira, I.M, Yue, W.W. | Deposit date: | 2021-10-17 | Release date: | 2022-07-27 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Molecular basis for the regulation of human glycogen synthase by phosphorylation and glucose-6-phosphate. Nat.Struct.Mol.Biol., 29, 2022
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7Q0B
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![BU of 7q0b by Molmil](/molmil-images/mine/7q0b) | Human GYS1-GYG1 complex inhibited state | Descriptor: | Glycogen [starch] synthase, muscle, Glycogenin-1 | Authors: | McCorvie, T.J, Shrestha, L, Froese, D.S, Ferreira, I.M, Yue, W.W. | Deposit date: | 2021-10-14 | Release date: | 2022-07-27 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Molecular basis for the regulation of human glycogen synthase by phosphorylation and glucose-6-phosphate. Nat.Struct.Mol.Biol., 29, 2022
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7Q13
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![BU of 7q13 by Molmil](/molmil-images/mine/7q13) | Human GYS1-GYG1 complex activated state bound to glucose-6-phosphate, uridine diphosphate, and glucose | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, Glycogen [starch] synthase, muscle, ... | Authors: | McCorvie, T.J, Shrestha, L, Froese, D.S, Ferreira, I.M, Yue, W.W. | Deposit date: | 2021-10-17 | Release date: | 2022-07-27 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Molecular basis for the regulation of human glycogen synthase by phosphorylation and glucose-6-phosphate. Nat.Struct.Mol.Biol., 29, 2022
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7Q0S
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![BU of 7q0s by Molmil](/molmil-images/mine/7q0s) | Human GYS1-GYG1 complex inhibited-like state bound to glucose-6-phosphate | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, Glycogen [starch] synthase, muscle, ... | Authors: | McCorvie, T.J, Shrestha, L, Froese, D.S, Ferreira, I.M, Yue, W.W. | Deposit date: | 2021-10-16 | Release date: | 2022-07-27 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Molecular basis for the regulation of human glycogen synthase by phosphorylation and glucose-6-phosphate. Nat.Struct.Mol.Biol., 29, 2022
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8C3D
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![BU of 8c3d by Molmil](/molmil-images/mine/8c3d) | Sulfonated Calpeptin is a promising drug candidate against SARS-CoV-2 infections | Descriptor: | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, CALCIUM ION, Cathepsin K | Authors: | Loboda, J, Karnicar, K, Lindic, N, Usenik, A, Lieske, J, Meents, A, Guenther, S, Reinke, P.Y.A, Falke, S, Ewert, W, Turk, D. | Deposit date: | 2022-12-23 | Release date: | 2023-09-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
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6U9D
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![BU of 6u9d by Molmil](/molmil-images/mine/6u9d) | |
6X63
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![BU of 6x63 by Molmil](/molmil-images/mine/6x63) | Atomic-Resolution Structure of HIV-1 Capsid Tubes by Magic Angle Spinning NMR | Descriptor: | HIV-1 capsid protein | Authors: | Lu, M, Russell, R.W, Bryer, A, Quinn, C.M, Hou, G, Zhang, H, Schwieters, C.D, Perilla, J.R, Gronenborn, A.M, Polenova, T. | Deposit date: | 2020-05-27 | Release date: | 2020-09-02 | Last modified: | 2024-05-15 | Method: | SOLID-STATE NMR | Cite: | Atomic-resolution structure of HIV-1 capsid tubes by magic-angle spinning NMR. Nat.Struct.Mol.Biol., 27, 2020
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5XC6
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![BU of 5xc6 by Molmil](/molmil-images/mine/5xc6) | Dengue Virus 4 NS3 Helicase in complex with SSRNA SLA12 | Descriptor: | NS3 Helicase, PHOSPHATE ION, RNA (5'-R(*AP*GP*UP*UP*GP*UP*UP*AP*GP*UP*CP*U)-3') | Authors: | Swarbrick, C.M.D, Basavannacharya, C, Chan, K.W.K, Chan, S.A, Singh, D, Wei, N, Phoo, W.W, Luo, D, Lescar, J, Vasudevan, S.G. | Deposit date: | 2017-03-22 | Release date: | 2017-11-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | NS3 helicase from dengue virus specifically recognizes viral RNA sequence to ensure optimal replication Nucleic Acids Res., 45, 2017
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5CC1
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![BU of 5cc1 by Molmil](/molmil-images/mine/5cc1) | S425G Glucocorticoid receptor DNA binding domain - (+)GRE complex | Descriptor: | DNA (5'-D(*CP*CP*AP*GP*AP*AP*CP*AP*GP*AP*GP*TP*GP*TP*TP*CP*TP*G)-3'), DNA (5'-D(*TP*CP*AP*GP*AP*AP*CP*AP*CP*TP*CP*TP*GP*TP*TP*CP*TP*G)-3'), Glucocorticoid receptor, ... | Authors: | Hudson, W.H, Weikum, E.A, Ortlund, E.A. | Deposit date: | 2015-07-01 | Release date: | 2015-12-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.302 Å) | Cite: | Distal substitutions drive divergent DNA specificity among paralogous transcription factors through subdivision of conformational space. Proc.Natl.Acad.Sci.USA, 113, 2016
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7S83
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![BU of 7s83 by Molmil](/molmil-images/mine/7s83) | Crystal structure of SARS CoV-2 Spike Receptor Binding Domain in complex with shark neutralizing VNARs ShAb01 and ShAb02 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ShAb01 VNAR, ... | Authors: | Chen, W.-H, Hajduczki, A, Dooley, H.M, Joyce, M.G. | Deposit date: | 2021-09-17 | Release date: | 2022-11-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Shark nanobodies with potent SARS-CoV-2 neutralizing activity and broad sarbecovirus reactivity. Nat Commun, 14, 2023
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