8Y1R
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![BU of 8y1r by Molmil](/molmil-images/mine/8y1r) | in situ room temperature Laue crystallography | Descriptor: | Lysozyme C | Authors: | Wang, Z.J, Wang, S.S, Pan, Q.Y, Yu, L, Su, Z.H, Yang, T.Y, Wang, Y.Z, Zhang, W.Z, Hao, Q, Gao, X.Y. | Deposit date: | 2024-01-25 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | BL03HB: Laue crystallography beamline at SSRF To Be Published
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8X1C
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![BU of 8x1c by Molmil](/molmil-images/mine/8x1c) | Structure of nucleosome-bound SRCAP-C in the ADP-bound state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin, ... | Authors: | Yu, J, Wang, Q, Yu, Z, Li, W, Wang, L, Xu, Y. | Deposit date: | 2023-11-06 | Release date: | 2024-03-06 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural insights into histone exchange by human SRCAP complex. Cell Discov, 10, 2024
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9FSB
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![BU of 9fsb by Molmil](/molmil-images/mine/9fsb) | Coxsackievirus B3 3C protease in P121 spacegroup | Descriptor: | Genome polyprotein | Authors: | Fairhead, M, Lithgo, R.M, MacLean, E.M, Bowesman-Jones, H, Aschenbrenner, J.C, Balcomb, B.H, Capkin, E, Chandran, A.V, Godoy, A.S, Marples, P.G, Fearon, D, von Delft, F, Koekemoer, L. | Deposit date: | 2024-06-20 | Release date: | 2024-08-14 | Method: | X-RAY DIFFRACTION (1.592 Å) | Cite: | Coxsackievirus B3 3C protease in P121 spacegroup To Be Published
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9C3D
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![BU of 9c3d by Molmil](/molmil-images/mine/9c3d) | Crystal structure of metallo-beta-lactamase superfamily protein CcrA-like_MBL-B1 from Dyadobacter fermentans | Descriptor: | Metallo-beta-lactamase type 2, ZINC ION | Authors: | Kim, Y, Maltseva, N, Welk, L, Endres, M, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID) | Deposit date: | 2024-05-31 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure of metallo-beta-lactamase superfamily protein CcrA-like_MBL-B1 from Dyadobacter fermentans To Be Published
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8VKK
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![BU of 8vkk by Molmil](/molmil-images/mine/8vkk) | Cryo-EM structure of SARS-CoV-2 XBB.1.5 spike protein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Zhu, X, Mannar, D, Saville, J, Poloni, C, Bezeruk, A, Tidey, K, Ahmed, S, Tuttle, K, Vahdatihassani, F, Cholak, S, Cook, L, Steiner, T.S, Subramaniam, S. | Deposit date: | 2024-01-09 | Release date: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (2.81 Å) | Cite: | SARS-CoV-2 XBB.1.5 Spike Protein: Altered Receptor Binding, Antibody Evasion, and Retention of T Cell Recognition To Be Published
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9F52
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![BU of 9f52 by Molmil](/molmil-images/mine/9f52) | UP1 in complex with Z734147462 | Descriptor: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, [4-(methylamino)oxan-4-yl]methanol | Authors: | Dunnett, L, Prischi, F. | Deposit date: | 2024-04-28 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
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8XVV
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![BU of 8xvv by Molmil](/molmil-images/mine/8xvv) | The TRRAP module of human NuA4/TIP60 complex | Descriptor: | INOSITOL HEXAKISPHOSPHATE, Isoform 2 of E1A-binding protein p400, Isoform 2 of Transformation/transcription domain-associated protein | Authors: | Chen, K, Wang, L, Yu, Z, Yu, J, Ren, Y, Wang, Q, Xu, Y. | Deposit date: | 2024-01-15 | Release date: | 2024-07-24 | Last modified: | 2024-07-31 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structure of the human TIP60 complex To Be Published
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9BBG
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![BU of 9bbg by Molmil](/molmil-images/mine/9bbg) | Co-crystal structure of human DDB1 bound to fragment UB028671 | Descriptor: | 1,2-ETHANEDIOL, 1H-indol-6-amine, DNA damage-binding protein 1, ... | Authors: | Zeng, H, Dong, A, Frommlet, A, Seitova, A, Loppnau, P, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2024-04-05 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Co-crystal structure of human DDB1 bound to fragment UB028671 To be published
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9ATD
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![BU of 9atd by Molmil](/molmil-images/mine/9atd) | Crystal structure of MERS 3CL protease in complex with a ethylcyclohexyl 2-pyrrolidone inhibitor (S-enantiomer) inhibitor | Descriptor: | (1R,2S)-2-{[N-({[(2S)-1-(2-cyclohexylethyl)-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[(2S)-1-(2-cyclohexylethyl)-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5 | Authors: | Liu, L, Lovell, S, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | Deposit date: | 2024-02-26 | Release date: | 2024-07-10 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies. J.Med.Chem., 67, 2024
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8VKM
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![BU of 8vkm by Molmil](/molmil-images/mine/8vkm) | Cryo-EM structure of SARS-CoV-2 XBB.1.5 spike protein in complex with mouse ACE2 (conformation 1) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | Zhu, X, Mannar, D, Saville, J, Poloni, C, Bezeruk, A, Tidey, K, Ahmed, S, Tuttle, K, Vahdatihassani, F, Cholak, S, Cook, L, Steiner, T.S, Subramaniam, S. | Deposit date: | 2024-01-09 | Release date: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (2.83 Å) | Cite: | SARS-CoV-2 XBB.1.5 Spike Protein: Altered Receptor Binding, Antibody Evasion, and Retention of T Cell Recognition To Be Published
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8YJY
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![BU of 8yjy by Molmil](/molmil-images/mine/8yjy) | |
9G0K
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![BU of 9g0k by Molmil](/molmil-images/mine/9g0k) | CysG(N-16) in complex with SAH (metal free, cocrystallization in presence of EDTA) from Kitasatospora cystarginea | Descriptor: | 1,2-ETHANEDIOL, S-ADENOSYL-L-HOMOCYSTEINE, SAM-dependent methyltransferase | Authors: | Kuttenlochner, W, Beller, P, Kaysser, L, Groll, M. | Deposit date: | 2024-07-08 | Release date: | 2024-07-17 | Last modified: | 2024-08-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Deciphering the SAM- and Metal-Dependent Mechanism of O-Methyltransferases in Cystargolide and Belactosin Biosynthesis: A Structure-Activity Relationship Study. J.Biol.Chem., 2024
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8Z9Q
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![BU of 8z9q by Molmil](/molmil-images/mine/8z9q) | Cryo-EM structure of Thogoto virus polymerase in a replication reception conformation | Descriptor: | Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-D(*(ATP))-R(P*GP*CP*AP*AP*AP*AP*AP*CP*A)-3'), ... | Authors: | Xue, L, Chang, T, Li, Z, Zhao, H, Li, M, He, J, Chen, X, Xiong, X. | Deposit date: | 2024-04-23 | Release date: | 2024-05-29 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.33 Å) | Cite: | Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses. Nat Commun, 15, 2024
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8Z9R
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![BU of 8z9r by Molmil](/molmil-images/mine/8z9r) | Cryo-EM structure of Thogoto virus polymerase in a replication elongation-reception conformation | Descriptor: | Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-D(*(ATP))-R(P*GP*CP*AP*AP*AP*AP*AP*CP*A)-3'), ... | Authors: | Xue, L, Chang, T, Li, Z, Zhao, H, Li, M, He, J, Chen, X, Xiong, X. | Deposit date: | 2024-04-23 | Release date: | 2024-05-29 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.58 Å) | Cite: | Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses. Nat Commun, 15, 2024
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8W8O
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![BU of 8w8o by Molmil](/molmil-images/mine/8w8o) | |
9BBI
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![BU of 9bbi by Molmil](/molmil-images/mine/9bbi) | Co-crystal structure of human DDB1 bound to fragment UB028669 | Descriptor: | 3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline, DNA damage-binding protein 1, L(+)-TARTARIC ACID, ... | Authors: | Zeng, H, Dong, A, Frommlet, A, Seitova, A, Loppnau, P, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2024-04-05 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Co-crystal structure of human DDB1 bound to fragment UB028669 To be published
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9FOY
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![BU of 9foy by Molmil](/molmil-images/mine/9foy) | Ternary complex of a Mycobacterium tuberculosis DNA gyrase core fusion with DNA and the inhibitor AMK32b | Descriptor: | (1~{R})-2-[4-[[4-bromanyl-3,5-bis(fluoranyl)phenyl]methylamino]cyclohexyl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol, (1~{S})-2-[4-[[4-bromanyl-3,5-bis(fluoranyl)phenyl]methylamino]cyclohexyl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*G)-3'), ... | Authors: | Kokot, M, Hrast, M, Feng, L, Mitchenall, L.A, Lawson, D.M, Maxwell, A, Minovski, N, Anderluh, M. | Deposit date: | 2024-06-12 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Unraveling the Mycobacterium tuberculosis DNA gyrase-DNA-NBTI complex To be published
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9F41
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![BU of 9f41 by Molmil](/molmil-images/mine/9f41) | Crystal structure of the NTD domain from S. cerevisia Niemann-Pick type C protein NCR1 with cholesterol bound | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHOLESTEROL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Nel, L, Olesen, E, Frain, K.M, Pedersen, B.P. | Deposit date: | 2024-04-26 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Structural and biochemical analysis of ligand binding in yeast Niemann-Pick type C 1-related protein To Be Published
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8X4F
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![BU of 8x4f by Molmil](/molmil-images/mine/8x4f) | |
8VKN
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![BU of 8vkn by Molmil](/molmil-images/mine/8vkn) | Cryo-EM structure of SARS-CoV-2 XBB.1.5 spike protein in complex with mouse ACE2 (focused refinement of RBD and mouse ACE2) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | Zhu, X, Mannar, D, Saville, J, Poloni, C, Bezeruk, A, Tidey, K, Ahmed, S, Tuttle, K, Vahdatihassani, F, Cholak, S, Cook, L, Steiner, T.S, Subramaniam, S. | Deposit date: | 2024-01-09 | Release date: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (2.93 Å) | Cite: | SARS-CoV-2 XBB.1.5 Spike Protein: Altered Receptor Binding, Antibody Evasion, and Retention of T Cell Recognition To Be Published
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8WKY
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![BU of 8wky by Molmil](/molmil-images/mine/8wky) | Crystal structure of the Melanocortin-4 Receptor (MC4R) in complex with S25 | Descriptor: | CALCIUM ION, Melanocortin receptor 4, N-(2-aminoethyl)-5-(2-{[4-(morpholin-4-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)pyridine-3-carboxamide, ... | Authors: | Gimenez, L.E, Martin, C, Yu, J, Hollanders, C, Hernandez, C, Dahir, N.S, Wu, Y, Yao, D, Han, G.W, Wu, L, Poorten, O.V, Lamouroux, A, Mannes, M, Tourwe, D, Zhao, S, Stevens, R.C, Cone, R.D, Ballet, S. | Deposit date: | 2023-09-28 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Novel Cocrystal Structures of Peptide Antagonists Bound to the Human Melanocortin Receptor 4 Unveil Unexplored Grounds for Structure-Based Drug Design. J.Med.Chem., 67, 2024
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8Z8J
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![BU of 8z8j by Molmil](/molmil-images/mine/8z8j) | Cryo-EM structure of Thogoto virus polymerase in transcription pre-initiation conformation 2 | Descriptor: | Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-R(*AP*GP*AP*GP*AP*AP*AP*UP*CP*AP*AP*GP*GP*CP*AP*GP*UP*U)-3'), ... | Authors: | Xue, L, Chang, T, Li, Z, Zhao, H, Li, M, He, J, Chen, X, Xiong, X. | Deposit date: | 2024-04-22 | Release date: | 2024-05-29 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.16 Å) | Cite: | Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses. Nat Commun, 15, 2024
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8XLP
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![BU of 8xlp by Molmil](/molmil-images/mine/8xlp) | Structure of inactive Photosystem II associated with CAC antenna from Rhodomonas Salina | Descriptor: | (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-3,5,7,9,11,13,15-heptaen-1,17-diynyl]cyclohex-3-en-1-ol, (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ... | Authors: | Si, L, Li, M. | Deposit date: | 2023-12-26 | Release date: | 2024-07-31 | Method: | ELECTRON MICROSCOPY (2.57 Å) | Cite: | Structure of inactive Photosystem II associated with CAC antenna from Rhodomonas Salina To Be Published
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9AVA
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![BU of 9ava by Molmil](/molmil-images/mine/9ava) | Co-crystal structure of human TREX1 in complex with an inhibitor | Descriptor: | (2R)-2-[(5R,6S,8R,9aS)-8-amino-1-oxo-5-(2-phenylethyl)hexahydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-yl]-N-[(3,4-dichlorophenyl)methyl]-4-methylpentanamide, POTASSIUM ION, Three-prime repair exonuclease 1, ... | Authors: | Dehghani-Tafti, S, Dong, A, Li, Y, Xu, J, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2024-03-01 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Co-crystal structure of human TREX1 in complex with an inhibitor To be published
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8X7X
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![BU of 8x7x by Molmil](/molmil-images/mine/8x7x) | Crystal structure of SADS-CoV fusion core | Descriptor: | CHLORIDE ION, HR1, HR2 | Authors: | Yan, L. | Deposit date: | 2023-11-26 | Release date: | 2024-02-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Crystal Structures of Fusion Cores from CCoV-HuPn-2018 and SADS-CoV. Viruses, 16, 2024
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