7XIL
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![BU of 7xil by Molmil](/molmil-images/mine/7xil) | SARS-CoV-2-Beta-RBD and B38-GWP/P-VK antibody complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, B38 Fab heavy chain, B38 Fab light chain, ... | Authors: | Shi, R, Wang, Y, Wu, Z, Han, X, Yan, J. | Deposit date: | 2022-04-13 | Release date: | 2023-04-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | SARS-CoV-2-Beta-RBD and B38-GWP/P-VK antibody complex To Be Published
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7XIK
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![BU of 7xik by Molmil](/molmil-images/mine/7xik) | SARS-CoV-2-Omicron-RBD and B38-GWP/P-VK antibody complex | Descriptor: | B38 Fab heavy chain, B38 Fab light chain, Spike protein S1 | Authors: | Shi, R, Wang, Y, Wu, Z, Han, X, Yan, J. | Deposit date: | 2022-04-13 | Release date: | 2023-04-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | SARS-CoV-2-Omicron-RBD and B38-GWP/P-VK antibody complex To Be Published
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7CCD
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![BU of 7ccd by Molmil](/molmil-images/mine/7ccd) | Sulfur binding domain of SprMcrA complexed with phosphorothioated DNA | Descriptor: | DNA (5'-D(*CP*AP*CP*GP*TP*TP*CP*GP*CP*C)-3'), DNA (5'-D(*GP*GP*CP*GP*AS*AP*CP*GP*TP*G)-3'), HNHc domain-containing protein | Authors: | Yu, H, Li, J, Liu, G, Zhao, G, Wang, Y, Hu, W, Deng, Z, Gan, J, Zhao, Y, He, X. | Deposit date: | 2020-06-16 | Release date: | 2020-07-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | DNA backbone interactions impact the sequence specificity of DNA sulfur-binding domains: revelations from structural analyses. Nucleic Acids Res., 48, 2020
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7CJB
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![BU of 7cjb by Molmil](/molmil-images/mine/7cjb) | |
7DAF
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![BU of 7daf by Molmil](/molmil-images/mine/7daf) | IXA in complex with tubulin | Descriptor: | (1~{S},3~{S},7~{S},10~{R},11~{S},12~{S},16~{R})-8,8,10,12,16-pentamethyl-3-[(~{E})-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-7,11-bis(oxidanyl)-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Wu, C, Wang, Y. | Deposit date: | 2020-10-16 | Release date: | 2021-03-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | High-resolution X-ray structure of three microtubule-stabilizing agents in complex with tubulin provide a rationale for drug design. Biochem.Biophys.Res.Commun., 534, 2021
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7DAE
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![BU of 7dae by Molmil](/molmil-images/mine/7dae) | EPB in complex with tubulin | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 7,11-DIHYDROXY-8,8,10,12,16-PENTAMETHYL-3-[1-METHYL-2-(2-METHYL-THIAZOL-4-YL)VINYL]-4,17-DIOXABICYCLO[14.1.0]HEPTADECANE-5,9-DIONE, CALCIUM ION, ... | Authors: | Wu, C, Wang, Y. | Deposit date: | 2020-10-16 | Release date: | 2021-03-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.394 Å) | Cite: | High-resolution X-ray structure of three microtubule-stabilizing agents in complex with tubulin provide a rationale for drug design. Biochem.Biophys.Res.Commun., 534, 2021
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3IGC
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![BU of 3igc by Molmil](/molmil-images/mine/3igc) | Smallpox virus topoisomerase-DNA transition state | Descriptor: | 5'-D(*AP*TP*TP*CP*C)-3', 5'-D(*CP*GP*GP*AP*AP*TP*AP*AP*GP*GP*GP*CP*GP*AP*CP*A)-3', 5'-D(*GP*TP*GP*TP*CP*GP*CP*CP*CP*TP*T)-3', ... | Authors: | Perry, K, Hwang, Y, Bushman, F.D, Van Duyne, G.D. | Deposit date: | 2009-07-27 | Release date: | 2010-03-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Insights from the Structure of a Smallpox Virus Topoisomerase-DNA Transition State Mimic. Structure, 18, 2010
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6VRG
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![BU of 6vrg by Molmil](/molmil-images/mine/6vrg) | Structure of HIV-1 integrase with native amino-terminal sequence | Descriptor: | Integrase, PHOSPHATE ION, POTASSIUM ION, ... | Authors: | Eilers, G, Gupta, K, Allen, A, Zhou, J, Hwang, Y, Cory, M, Bushman, F.D, Van Duyne, G.D. | Deposit date: | 2020-02-07 | Release date: | 2020-09-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Influence of the amino-terminal sequence on the structure and function of HIV integrase. Retrovirology, 17, 2020
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1HYV
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![BU of 1hyv by Molmil](/molmil-images/mine/1hyv) | HIV INTEGRASE CORE DOMAIN COMPLEXED WITH TETRAPHENYL ARSONIUM | Descriptor: | CHLORIDE ION, INTEGRASE, SULFATE ION, ... | Authors: | Molteni, V, Greenwald, J, Rhodes, D, Hwang, Y, Kwiatkowski, W, Bushman, F.D, Siegel, J.S, Choe, S. | Deposit date: | 2001-01-22 | Release date: | 2001-04-04 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Identification of a small-molecule binding site at the dimer interface of the HIV integrase catalytic domain. Acta Crystallogr.,Sect.D, 57, 2001
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1HYZ
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![BU of 1hyz by Molmil](/molmil-images/mine/1hyz) | HIV INTEGRASE CORE DOMAIN COMPLEXED WITH A DERIVATIVE OF TETRAPHENYL ARSONIUM. | Descriptor: | (3,4-DIHYDROXY-PHENYL)-TRIPHENYL-ARSONIUM, CHLORIDE ION, INTEGRASE, ... | Authors: | Molteni, V, Greenwald, J, Rhodes, D, Hwang, Y, Kwiatkowski, W, Bushman, F.D, Siegel, J.S, Choe, S. | Deposit date: | 2001-01-22 | Release date: | 2001-04-04 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Identification of a small-molecule binding site at the dimer interface of the HIV integrase catalytic domain. Acta Crystallogr.,Sect.D, 57, 2001
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2H7F
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![BU of 2h7f by Molmil](/molmil-images/mine/2h7f) | Structure of variola topoisomerase covalently bound to DNA | Descriptor: | 5'-D(*TP*AP*AP*TP*AP*AP*GP*GP*GP*CP*GP*AP*CP*A)-3', 5'-D(*TP*TP*GP*TP*CP*GP*CP*CP*CP*TP*T)-3', DNA topoisomerase 1 | Authors: | Perry, K, Hwang, Y, Bushman, F.D, Van Duyne, G.D. | Deposit date: | 2006-06-02 | Release date: | 2006-08-15 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis for specificity in the poxvirus topoisomerase. Mol.Cell, 23, 2006
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2H7G
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![BU of 2h7g by Molmil](/molmil-images/mine/2h7g) | Structure of variola topoisomerase non-covalently bound to DNA | Descriptor: | 5'-D(*TP*AP*AP*TP*AP*AP*GP*GP*GP*CP*GP*AP*CP*A)-3', 5'-D(*TP*TP*GP*TP*CP*GP*CP*CP*CP*TP*TP*A)-3', DNA topoisomerase 1 | Authors: | Perry, K, Hwang, Y, Bushman, F.D, Van Duyne, G.D. | Deposit date: | 2006-06-02 | Release date: | 2006-08-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for specificity in the poxvirus topoisomerase. Mol.Cell, 23, 2006
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8Z9A
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![BU of 8z9a by Molmil](/molmil-images/mine/8z9a) | Cryo-EM structure of the insect olfactory receptor OR5-Orco heterocomplex from Acyrthosiphon pisum bound with geranyl acetate | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Odorant receptor, ApisOR5, ... | Authors: | Wang, Y.D, Qiu, L, Guan, Z.Y, Wang, Q, Wang, G.R, Yin, P. | Deposit date: | 2024-04-23 | Release date: | 2024-06-19 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis for odorant recognition of the insect odorant receptor OR-Orco heterocomplex. Science, 384, 2024
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8Z9Z
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![BU of 8z9z by Molmil](/molmil-images/mine/8z9z) | Cryo-EM structure of the insect olfactory receptor OR5-Orco heterocomplex from Acyrthosiphon pisum | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Odorant receptor, ApisOR5, ... | Authors: | Wang, Y.D, Qiu, L, Guan, Z.Y, Wang, Q, Wang, G.R, Yin, P. | Deposit date: | 2024-04-24 | Release date: | 2024-06-19 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structural basis for odorant recognition of the insect odorant receptor OR-Orco heterocomplex. Science, 384, 2024
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8KHD
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![BU of 8khd by Molmil](/molmil-images/mine/8khd) | The interface structure of Omicron RBD binding to 5817 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 5817, Light chain of 5817, ... | Authors: | Cao, L, Wang, X. | Deposit date: | 2023-08-21 | Release date: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Identification of a broad sarbecovirus neutralizing antibody targeting a conserved epitope on the receptor-binding domain. Cell Rep, 43, 2024
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8KHC
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![BU of 8khc by Molmil](/molmil-images/mine/8khc) | SARS-CoV-2 Omicron spike in complex with 5817 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 5817 Fab, ... | Authors: | Cao, L, Wang, X. | Deposit date: | 2023-08-21 | Release date: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Identification of a broad sarbecovirus neutralizing antibody targeting a conserved epitope on the receptor-binding domain. Cell Rep, 43, 2024
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8GUN
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![BU of 8gun by Molmil](/molmil-images/mine/8gun) | |
8GUP
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![BU of 8gup by Molmil](/molmil-images/mine/8gup) | Crystal structure of EsaG from Staphylococcus aureus | Descriptor: | CITRIC ACID, Type VII secretion system protein EsaG | Authors: | Zhang, Z.M, Wang, Y.J. | Deposit date: | 2022-09-13 | Release date: | 2022-11-09 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.298725 Å) | Cite: | A toxin-deformation dependent inhibition mechanism in the T7SS toxin-antitoxin system of Gram-positive bacteria. Nat Commun, 13, 2022
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8GUO
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![BU of 8guo by Molmil](/molmil-images/mine/8guo) | |
7BXF
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![BU of 7bxf by Molmil](/molmil-images/mine/7bxf) | MvcA-Lpg2149 complex | Descriptor: | Lpg2149, MvcA, PRASEODYMIUM ION | Authors: | Gao, P. | Deposit date: | 2020-04-19 | Release date: | 2020-05-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Insights into catalysis and regulation of non-canonical ubiquitination and deubiquitination by bacterial deamidase effectors. Nat Commun, 11, 2020
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4O9S
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![BU of 4o9s by Molmil](/molmil-images/mine/4o9s) | Crystal structure of Retinol-Binding Protein 4 (RBP4)in complex with a non-retinoid ligand | Descriptor: | 1,2-ETHANEDIOL, 1-[4-(7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperazin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone, CHLORIDE ION, ... | Authors: | Wang, Z, Johnstone, S, Walker, N.P. | Deposit date: | 2014-01-02 | Release date: | 2014-07-02 | Last modified: | 2020-02-19 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-assisted discovery of the first non-retinoid ligands for Retinol-Binding Protein 4. Bioorg.Med.Chem.Lett., 24, 2014
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4PSQ
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![BU of 4psq by Molmil](/molmil-images/mine/4psq) | Crystal Structure of Retinol-Binding Protein 4 (RBP4) in complex with a non-retinoid ligand | Descriptor: | (1-benzyl-1H-imidazol-4-yl)[4-(2-chlorophenyl)piperazin-1-yl]methanone, 1,2-ETHANEDIOL, PHOSPHATE ION, ... | Authors: | Wang, Z, Johnstone, S, Walker, N. | Deposit date: | 2014-03-07 | Release date: | 2014-07-02 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-assisted discovery of the first non-retinoid ligands for Retinol-Binding Protein 4. Bioorg.Med.Chem.Lett., 24, 2014
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6OVB
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![BU of 6ovb by Molmil](/molmil-images/mine/6ovb) | Crystal structure of a Bacillus thuringiensis Cry1Da tryptic core variant | Descriptor: | Active core crystal toxin protein 1D | Authors: | Rydel, T.J, Halls, C, Evdokimov, A.G, Beishir, S.C. | Deposit date: | 2019-05-07 | Release date: | 2019-06-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.611 Å) | Cite: | Bacillus thuringiensis Cry1Da_7 and Cry1B.868 Protein Interactions with Novel Receptors Allow Control of Resistant Fall Armyworms, Spodoptera frugiperda (J.E. Smith). Appl.Environ.Microbiol., 85, 2019
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6OWK
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![BU of 6owk by Molmil](/molmil-images/mine/6owk) | |
6IIM
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![BU of 6iim by Molmil](/molmil-images/mine/6iim) | USP14 catalytic domain with IU1-206 | Descriptor: | 1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethan-1-one, Ubiquitin carboxyl-terminal hydrolase 14 | Authors: | Mei, Z.Q, Wang, J.W, Wang, F, Wang, Y.W. | Deposit date: | 2018-10-07 | Release date: | 2018-12-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Small molecule inhibitors reveal allosteric regulation of USP14 via steric blockade. Cell Res., 28, 2018
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