7SGH
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![BU of 7sgh by Molmil](/molmil-images/mine/7sgh) | SARS-CoV-2 Main Protease (Mpro) in Complex with ML124N | Descriptor: | (S)-N-((S)-1-imino-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-4-methyl-2-(2-((2,4,6-trifluorophenyl)amino)acetamido)pentanamide, 3C-like proteinase | Authors: | Westberg, M, Fernandez, D, Lin, M.Z. | Deposit date: | 2021-10-05 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Rational design of a new class of protease inhibitors for the potential treatment of coronavirus diseases To Be Published
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8JT9
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![BU of 8jt9 by Molmil](/molmil-images/mine/8jt9) | Human VMAT2 complex with ketanserin | Descriptor: | 3-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-1~{H}-quinazoline-2,4-dione, Synaptic vesicular amine transporter | Authors: | Jiang, D.H, Wu, D. | Deposit date: | 2023-06-21 | Release date: | 2023-11-29 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (2.97 Å) | Cite: | Transport and inhibition mechanisms of human VMAT2. Nature, 626, 2024
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6RRH
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![BU of 6rrh by Molmil](/molmil-images/mine/6rrh) | GOLGI ALPHA-MANNOSIDASE II | Descriptor: | 1,2-ETHANEDIOL, Alpha-mannosidase 2, ZINC ION | Authors: | Armstrong, Z, Lahav, D, Johnson, R, Kuo, C.L, Beenakker, T.J.M, de Boer, C, Wong, C.S, van Rijssel, E.R, Debets, M, Geurink, P.P, Ovaa, H, van der Stelt, M, Codee, J.D.C, Aerts, J.M.F.G, Wu, L, Overkleeft, H.S, Davies, G.J. | Deposit date: | 2019-05-18 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Manno- epi -cyclophellitols Enable Activity-Based Protein Profiling of Human alpha-Mannosidases and Discovery of New Golgi Mannosidase II Inhibitors. J.Am.Chem.Soc., 142, 2020
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7SGJ
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![BU of 7sgj by Molmil](/molmil-images/mine/7sgj) | |
3H6O
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![BU of 3h6o by Molmil](/molmil-images/mine/3h6o) | Activator-Bound Structure of Human Pyruvate Kinase M2 | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 6-(2-fluorobenzyl)-2,4-dimethyl-4,6-dihydro-5H-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one, Pyruvate kinase isozymes M1/M2, ... | Authors: | Hong, B, Dimov, S, Tempel, W, Auld, D, Thomas, C, Boxer, M, Jianq, J.-K, Skoumbourdis, A, Min, S, Southall, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Inglese, J, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2009-04-23 | Release date: | 2009-05-05 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Activator-Bound Structures of Human Pyruvate Kinase M2 to be published
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6F3D
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![BU of 6f3d by Molmil](/molmil-images/mine/6f3d) | IRAK4 IN COMPLEX WITH inhibitor | Descriptor: | 4-[4-[[4-(dimethylamino)cyclohexyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexane-1-carboxamide, Interleukin-1 receptor-associated kinase 4, SULFATE ION | Authors: | Xue, Y, Degorce, S.L, Robb, G.R, Ferguson, A.D. | Deposit date: | 2017-11-28 | Release date: | 2018-05-23 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Optimization of permeability in a series of pyrrolotriazine inhibitors of IRAK4. Bioorg. Med. Chem., 26, 2018
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8SN3
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![BU of 8sn3 by Molmil](/molmil-images/mine/8sn3) | Cryo-EM structure of the human nucleosome core particle in complex with RNF168 and UbcH5c~Ub (UbcH5c chemically conjugated to histone H2A) (class 1) | Descriptor: | DNA (147-MER), E3 ubiquitin-protein ligase RNF168, Histone H2A type 1-B/E, ... | Authors: | Hu, Q, Botuyan, M.V, Zhao, D, Cui, G, Mer, G. | Deposit date: | 2023-04-26 | Release date: | 2024-01-17 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Mechanisms of RNF168 nucleosome recognition and ubiquitylation. Mol.Cell, 84, 2024
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8SMZ
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![BU of 8smz by Molmil](/molmil-images/mine/8smz) | Cryo-EM structure of the human nucleosome core particle in complex with RNF168 and UbcH5c~Ub (UbcH5c chemically conjugated to histone H2A. No density for Ub.) (Class 4) | Descriptor: | DNA (147-MER), E3 ubiquitin-protein ligase RNF168, Histone H2A type 1-B/E, ... | Authors: | Hu, Q, Botuyan, M.V, Zhao, D, Cui, G, Mer, G. | Deposit date: | 2023-04-26 | Release date: | 2024-01-17 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Mechanisms of RNF168 nucleosome recognition and ubiquitylation. Mol.Cell, 84, 2024
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8C3X
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8SN8
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![BU of 8sn8 by Molmil](/molmil-images/mine/8sn8) | Cryo-EM structure of the human nucleosome core particle in complex with RNF168 and UbcH5c~Ub (UbcH5c chemically conjugated to histone H2A) (class 6) | Descriptor: | DNA (147-MER), E3 ubiquitin-protein ligase RNF168, Histone H2A type 1-B/E, ... | Authors: | Hu, Q, Botuyan, M.V, Zhao, D, Cui, G, Mer, G. | Deposit date: | 2023-04-26 | Release date: | 2024-01-17 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Mechanisms of RNF168 nucleosome recognition and ubiquitylation. Mol.Cell, 84, 2024
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5C9A
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![BU of 5c9a by Molmil](/molmil-images/mine/5c9a) | Crystal structure of empty coxsackievirus A16 particle | Descriptor: | CHLORIDE ION, POTASSIUM ION, SPHINGOSINE, ... | Authors: | Ren, J, Wang, X, Zhu, L, Hu, Z, Gao, Q, Yang, P, Li, X, Wang, J, Shen, X, Fry, E.E, Rao, Z, Stuart, D.I. | Deposit date: | 2015-06-26 | Release date: | 2015-08-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structures of Coxsackievirus A16 Capsids with Native Antigenicity: Implications for Particle Expansion, Receptor Binding, and Immunogenicity. J.Virol., 89, 2015
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8SN9
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![BU of 8sn9 by Molmil](/molmil-images/mine/8sn9) | Cryo-EM structure of the human nucleosome core particle in complex with RNF168 and UbcH5c with backside ubiquitin (UbcH5c chemically conjugated to histone H2A) (class 1) | Descriptor: | DNA (147-MER), E3 ubiquitin-protein ligase RNF168, Histone H2A type 1-B/E, ... | Authors: | Hu, Q, Botuyan, M.V, Zhao, D, Cui, G, Mer, G. | Deposit date: | 2023-04-26 | Release date: | 2024-01-17 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Mechanisms of RNF168 nucleosome recognition and ubiquitylation. Mol.Cell, 84, 2024
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8SN0
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![BU of 8sn0 by Molmil](/molmil-images/mine/8sn0) | Cryo-EM structure of the human nucleosome core particle in complex with RNF168 and UbcH5c~Ub (UbcH5c chemically conjugated to histone H2A. No density for Ub.) (class 5) | Descriptor: | DNA (147-MER), E3 ubiquitin-protein ligase RNF168, Histone H2A type 1-B/E, ... | Authors: | Hu, Q, Botuyan, M.V, Zhao, D, Cui, G, Mer, G. | Deposit date: | 2023-04-26 | Release date: | 2024-01-17 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Mechanisms of RNF168 nucleosome recognition and ubiquitylation. Mol.Cell, 84, 2024
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6TV7
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![BU of 6tv7 by Molmil](/molmil-images/mine/6tv7) | Crystal structure of rsGCaMP in the OFF state (illuminated) | Descriptor: | CALCIUM ION, SODIUM ION, rsGCaMP | Authors: | Janowski, R, Fuenzalida-Werner, J.P, Mishra, K, Stiel, A.C, Niessing, D. | Deposit date: | 2020-01-09 | Release date: | 2021-10-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Genetically encoded photo-switchable molecular sensors for optoacoustic and super-resolution imaging. Nat.Biotechnol., 2021
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8KG8
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![BU of 8kg8 by Molmil](/molmil-images/mine/8kg8) | Yeast replisome in state II | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Cell division control protein 45, DNA (61-mer), ... | Authors: | Dang, S, Zhai, Y, Feng, J, Yu, D, Xu, Z. | Deposit date: | 2023-08-17 | Release date: | 2023-12-06 | Method: | ELECTRON MICROSCOPY (4.23 Å) | Cite: | Synergism between CMG helicase and leading strand DNA polymerase at replication fork. Nat Commun, 14, 2023
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8SN1
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![BU of 8sn1 by Molmil](/molmil-images/mine/8sn1) | Cryo-EM structure of the human nucleosome core particle in complex with RNF168 and UbcH5c~Ub (UbcH5c chemically conjugated to histone H2A. No density for Ub.) (class 6) | Descriptor: | DNA (147-MER), E3 ubiquitin-protein ligase RNF168, Histone H2A type 1-B/E, ... | Authors: | Hu, Q, Botuyan, M.V, Zhao, D, Cui, G, Mer, G. | Deposit date: | 2023-04-26 | Release date: | 2024-01-17 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Mechanisms of RNF168 nucleosome recognition and ubiquitylation. Mol.Cell, 84, 2024
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3HSC
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![BU of 3hsc by Molmil](/molmil-images/mine/3hsc) | THREE-DIMENSIONAL STRUCTURE OF THE ATPASE FRAGMENT OF A 70K HEAT-SHOCK COGNATE PROTEIN | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, HEAT-SHOCK COGNATE 7OKD PROTEIN, MAGNESIUM ION, ... | Authors: | Flaherty, K.M, Deluca-Flaherty, C.R, Mckay, D.B. | Deposit date: | 1995-03-24 | Release date: | 1995-07-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Three-dimensional structure of the ATPase fragment of a 70K heat-shock cognate protein. Nature, 346, 1990
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4XMO
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![BU of 4xmo by Molmil](/molmil-images/mine/4xmo) | Crystal structure of c-Met in complex with (R)-5-(8-fluoro-3-(1-fluoro-1-(3-methoxyquinolin-6-yl)ethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-methylisoxazole | Descriptor: | 6-{(1R)-1-fluoro-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl}-3-methoxyquinoline, Hepatocyte growth factor receptor | Authors: | Whittington, D.A, Long, A.M. | Deposit date: | 2015-01-14 | Release date: | 2015-03-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Discovery of Potent and Selective 8-Fluorotriazolopyridine c-Met Inhibitors. J.Med.Chem., 58, 2015
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7SGI
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![BU of 7sgi by Molmil](/molmil-images/mine/7sgi) | |
6F19
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![BU of 6f19 by Molmil](/molmil-images/mine/6f19) | Structure of Mb NMH H64V, V68A mutant complex with EDA incubated at room temperature for 5 min | Descriptor: | ETHYL ACETATE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Tinzl, M, Hayashi, T, Mori, T, Hilvert, D. | Deposit date: | 2017-11-21 | Release date: | 2018-08-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.895 Å) | Cite: | Capture and characterization of a reactive haem-carbenoid complex in an artificial metalloenzyme Nat Catal, 1, 2018
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8KG9
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![BU of 8kg9 by Molmil](/molmil-images/mine/8kg9) | Yeast replisome in state III | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Cell division control protein 45, DNA (61-mer), ... | Authors: | Dang, S, Zhai, Y, Feng, J, Yu, D, Xu, Z. | Deposit date: | 2023-08-17 | Release date: | 2023-12-06 | Method: | ELECTRON MICROSCOPY (4.52 Å) | Cite: | Synergism between CMG helicase and leading strand DNA polymerase at replication fork. Nat Commun, 14, 2023
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7MZ5
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![BU of 7mz5 by Molmil](/molmil-images/mine/7mz5) | |
7MZ6
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![BU of 7mz6 by Molmil](/molmil-images/mine/7mz6) | Cryo-EM structure of minimal TRPV1 with 1 perturbed PI | Descriptor: | (10R,13S)-16-amino-13-hydroxy-7,13-dioxo-8,12,14-trioxa-13lambda~5~-phosphahexadecan-10-yl hexadecanoate, (2S)-1-(butanoyloxy)-3-{[(R)-hydroxy{[(1r,2R,3S,4S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl tridecanoate, SODIUM ION, ... | Authors: | Zhang, K, Julius, D, Cheng, Y. | Deposit date: | 2021-05-24 | Release date: | 2021-09-22 | Last modified: | 2021-10-13 | Method: | ELECTRON MICROSCOPY (2.91 Å) | Cite: | Structural snapshots of TRPV1 reveal mechanism of polymodal functionality. Cell, 184, 2021
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7K14
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![BU of 7k14 by Molmil](/molmil-images/mine/7k14) | Ternary soak structure of alkanesulfonate monooxygenase MsuD from Pseudomonas fluorescens with FMN and methanesulfonate | Descriptor: | Alkanesulfonate monooxygenase, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ... | Authors: | Liew, J.J.M, Dowling, D.P, El Saudi, I.M. | Deposit date: | 2020-09-07 | Release date: | 2021-05-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structures of the alkanesulfonate monooxygenase MsuD provide insight into C-S bond cleavage, substrate scope, and an unexpected role for the tetramer. J.Biol.Chem., 297, 2021
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7MZB
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![BU of 7mzb by Molmil](/molmil-images/mine/7mzb) | Cryo-EM structure of minimal TRPV1 with 3 bound RTX and 1 perturbed PI | Descriptor: | (2S)-1-(butanoyloxy)-3-{[(R)-hydroxy{[(1r,2R,3S,4S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl tridecanoate, SODIUM ION, Transient receptor potential cation channel subfamily V member 1, ... | Authors: | Zhang, K, Julius, D, Cheng, Y. | Deposit date: | 2021-05-24 | Release date: | 2021-09-22 | Last modified: | 2021-10-13 | Method: | ELECTRON MICROSCOPY (3.72 Å) | Cite: | Structural snapshots of TRPV1 reveal mechanism of polymodal functionality. Cell, 184, 2021
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