7FB8
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![BU of 7fb8 by Molmil](/molmil-images/mine/7fb8) | De Novo-Designed and Disulfide-Bridged Peptide Heterodimer - hd1 | Descriptor: | ASP-ASP-LYS-ASP-CYS-ASP-GLU-TYR-CYS-LYS-LYS-THR-LYS-GLU-NH2, GLU-LE1-THR-GLY-HIS-ILE-GLU-GLY-PRO-THR-LE1-THR-LE1-HIS-CYS-LYS-NH2 | Authors: | Yao, H, Yao, S, Zheng, Y, Moyer, A, Baker, D, Wu, C. | Deposit date: | 2021-07-08 | Release date: | 2022-05-18 | Last modified: | 2023-11-15 | Method: | SOLUTION NMR | Cite: | De novo design and directed folding of disulfide-bridged peptide heterodimers. Nat Commun, 13, 2022
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3QBA
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![BU of 3qba by Molmil](/molmil-images/mine/3qba) | Reintroducing Electrostatics into Macromolecular Crystallographic Refinement: Z-DNA (X-ray) | Descriptor: | Z-DNA | Authors: | Fenn, T.D, Schnieders, M.J, Mustyakimov, M, Wu, C, Langan, P, Pande, V.S, Brunger, A.T. | Deposit date: | 2011-01-12 | Release date: | 2011-03-02 | Last modified: | 2024-02-21 | Method: | NEUTRON DIFFRACTION (1.53 Å), X-RAY DIFFRACTION | Cite: | Reintroducing electrostatics into macromolecular crystallographic refinement: application to neutron crystallography and DNA hydration. Structure, 19, 2011
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7XOD
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![BU of 7xod by Molmil](/molmil-images/mine/7xod) | SARS-CoV-2 Omicron BA.2 Variant Spike Trimer with three JMB2002 Fab Bound | 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 JMB2002 Fab, ... | Authors: | Xu, Y, Wu, C, Liu, H, Yin, W, Xu, H.E. | Deposit date: | 2022-05-01 | Release date: | 2022-06-15 | Last modified: | 2022-07-13 | Method: | ELECTRON MICROSCOPY (3.27 Å) | Cite: | Structural and biochemical mechanism for increased infectivity and immune evasion of Omicron BA.2 variant compared to BA.1 and their possible mouse origins. Cell Res., 32, 2022
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7XO6
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![BU of 7xo6 by Molmil](/molmil-images/mine/7xo6) | SARS-CoV-2 Omicron BA.1 Variant RBD with mouse ACE2 Bound | 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: | Xu, Y, Wu, C, Liu, H, Yin, W, Xu, H.E. | Deposit date: | 2022-05-01 | Release date: | 2022-06-15 | Last modified: | 2022-07-13 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Structural and biochemical mechanism for increased infectivity and immune evasion of Omicron BA.2 variant compared to BA.1 and their possible mouse origins. Cell Res., 32, 2022
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7XO5
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![BU of 7xo5 by Molmil](/molmil-images/mine/7xo5) | SARS-CoV-2 Omicron BA.1 Variant Spike Trimer with one mouse ACE2 Bound | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike glycoprotein, ... | Authors: | Xu, Y, Wu, C, Liu, H, Yin, W, Xu, H.E. | Deposit date: | 2022-05-01 | Release date: | 2022-06-15 | Last modified: | 2022-07-13 | Method: | ELECTRON MICROSCOPY (3.13 Å) | Cite: | Structural and biochemical mechanism for increased infectivity and immune evasion of Omicron BA.2 variant compared to BA.1 and their possible mouse origins. Cell Res., 32, 2022
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7XOC
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![BU of 7xoc by Molmil](/molmil-images/mine/7xoc) | SARS-CoV-2 Omicron BA.2 Variant RBD complexed with 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: | Xu, Y, Wu, C, Liu, H, Yin, W, Xu, H.E. | Deposit date: | 2022-05-01 | Release date: | 2022-06-15 | Last modified: | 2022-07-13 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural and biochemical mechanism for increased infectivity and immune evasion of Omicron BA.2 variant compared to BA.1 and their possible mouse origins. Cell Res., 32, 2022
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7XO8
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![BU of 7xo8 by Molmil](/molmil-images/mine/7xo8) | SARS-CoV-2 Omicron BA.2 Variant Spike Trimer with three human ACE2 Bound | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, CHLORIDE ION, ... | Authors: | Xu, Y, Wu, C, Liu, H, Yin, W, Xu, H.E. | Deposit date: | 2022-05-01 | Release date: | 2022-06-15 | Last modified: | 2022-07-13 | Method: | ELECTRON MICROSCOPY (3.48 Å) | Cite: | Structural and biochemical mechanism for increased infectivity and immune evasion of Omicron BA.2 variant compared to BA.1 and their possible mouse origins. Cell Res., 32, 2022
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7XO9
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![BU of 7xo9 by Molmil](/molmil-images/mine/7xo9) | SARS-CoV-2 Omicron BA.2 Variant RBD complexed with human ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, CHLORIDE ION, ... | Authors: | Xu, Y, Wu, C, Liu, H, Yin, W, Xu, H.E. | Deposit date: | 2022-05-01 | Release date: | 2022-06-15 | Last modified: | 2022-07-13 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural and biochemical mechanism for increased infectivity and immune evasion of Omicron BA.2 variant compared to BA.1 and their possible mouse origins. Cell Res., 32, 2022
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7XOA
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![BU of 7xoa by Molmil](/molmil-images/mine/7xoa) | SARS-CoV-2 Omicron BA.2 Variant Spike Trimer with one mouse ACE2 Bound | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike glycoprotein, ... | Authors: | Xu, Y, Wu, C, Liu, H, Yin, W, Xu, H.E. | Deposit date: | 2022-05-01 | Release date: | 2022-06-15 | Last modified: | 2022-07-13 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural and biochemical mechanism for increased infectivity and immune evasion of Omicron BA.2 variant compared to BA.1 and their possible mouse origins. Cell Res., 32, 2022
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7XOB
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![BU of 7xob by Molmil](/molmil-images/mine/7xob) | SARS-CoV-2 Omicron BA.2 Variant Spike Trimer with two mouse ACE2 Bound | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike glycoprotein, ... | Authors: | Xu, Y, Wu, C, Liu, H, Yin, W, Xu, H.E. | Deposit date: | 2022-05-01 | Release date: | 2022-06-15 | Last modified: | 2022-07-13 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural and biochemical mechanism for increased infectivity and immune evasion of Omicron BA.2 variant compared to BA.1 and their possible mouse origins. Cell Res., 32, 2022
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7XO4
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![BU of 7xo4 by Molmil](/molmil-images/mine/7xo4) | SARS-CoV-2 Omicron BA.1 Variant Spike Trimer with two mouse ACE2 Bound | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike glycoprotein, ... | Authors: | Xu, Y, Wu, C, Liu, H, Yin, W, Xu, H.E. | Deposit date: | 2022-04-30 | Release date: | 2022-06-15 | Last modified: | 2022-07-13 | Method: | ELECTRON MICROSCOPY (3.24 Å) | Cite: | Structural and biochemical mechanism for increased infectivity and immune evasion of Omicron BA.2 variant compared to BA.1 and their possible mouse origins. Cell Res., 32, 2022
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7XO7
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![BU of 7xo7 by Molmil](/molmil-images/mine/7xo7) | SARS-CoV-2 Omicron BA.2 Variant Spike Trimer with two human ACE2 Bound | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, CHLORIDE ION, ... | Authors: | Xu, Y, Wu, C, Liu, H, Yin, W, Xu, H.E. | Deposit date: | 2022-05-01 | Release date: | 2022-06-15 | Last modified: | 2022-07-13 | Method: | ELECTRON MICROSCOPY (3.38 Å) | Cite: | Structural and biochemical mechanism for increased infectivity and immune evasion of Omicron BA.2 variant compared to BA.1 and their possible mouse origins. Cell Res., 32, 2022
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4M6B
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![BU of 4m6b by Molmil](/molmil-images/mine/4m6b) | Crystal structure of yeast Swr1-Z domain in complex with H2A.Z-H2B dimer | Descriptor: | Chimera protein of Histone H2B.1 and Histone H2A.Z, Helicase SWR1 | Authors: | Hong, J.J, Feng, H.Q, Wang, F, Ranjan, A, Chen, J.H, Jiang, J.S, Girlando, R, Xiao, T.S, Wu, C, Bai, Y.W. | Deposit date: | 2013-08-09 | Release date: | 2014-02-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | The Catalytic Subunit of the SWR1 Remodeler Is a Histone Chaperone for the H2A.Z-H2B Dimer. Mol.Cell, 53, 2014
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2L5A
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![BU of 2l5a by Molmil](/molmil-images/mine/2l5a) | Structural basis for recognition of centromere specific histone H3 variant by nonhistone Scm3 | Descriptor: | Histone H3-like centromeric protein CSE4, Protein SCM3, Histone H4 | Authors: | Zhou, Z, Feng, H, Zhou, B, Ghirlando, R, Hu, K, Zwolak, A, Jenkins, L, Xiao, H, Tjandra, N, Wu, C, Bai, Y. | Deposit date: | 2010-10-28 | Release date: | 2011-03-16 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural basis for recognition of centromere histone variant CenH3 by the chaperone Scm3. Nature, 472, 2011
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2K2R
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![BU of 2k2r by Molmil](/molmil-images/mine/2k2r) | The NMR structure of alpha-parvin CH2/paxillin LD1 complex | Descriptor: | Alpha-parvin, Paxillin | Authors: | Wang, X, Fukuda, K, Byeon, I, Velyvis, A, Wu, C, Gronenborn, A, Qin, J. | Deposit date: | 2008-04-10 | Release date: | 2008-05-27 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | The Structure of {alpha}-Parvin CH2-Paxillin LD1 Complex Reveals a Novel Modular Recognition for Focal Adhesion Assembly. J.Biol.Chem., 283, 2008
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2JSS
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![BU of 2jss by Molmil](/molmil-images/mine/2jss) | NMR structure of chaperone Chz1 complexed with histone H2A.Z-H2B | Descriptor: | Chimera of Histone H2B.1 and Histone H2A.Z, Uncharacterized protein YER030W | Authors: | Zhou, Z, Feng, H, Hansen, D.F, Kato, H, Luk, E, Freedberg, D.I, Kay, L.E, Wu, C, Bai, Y. | Deposit date: | 2007-07-11 | Release date: | 2008-05-20 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | NMR structure of chaperone Chz1 complexed with histones H2A.Z-H2B. Nat.Struct.Mol.Biol., 15, 2008
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7ENQ
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![BU of 7enq by Molmil](/molmil-images/mine/7enq) | Crystal structure of human NAMPT in complex with compound NAT | Descriptor: | 2-(2-~{tert}-butylphenoxy)-~{N}-(4-hydroxyphenyl)ethanamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION | Authors: | Wang, G, Wu, C, Liu, M, Yao, H, Li, C, Wang, L, Tang, Y. | Deposit date: | 2021-04-19 | Release date: | 2022-05-04 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.204966 Å) | Cite: | Discovery of small-molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and their preclinical neuroprotective activity. Cell Res., 32, 2022
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2LAS
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![BU of 2las by Molmil](/molmil-images/mine/2las) | Molecular Determinants of Paralogue-Specific SUMO-SIM Recognition | Descriptor: | M-IR2_peptide, Small ubiquitin-related modifier 1 | Authors: | Namanja, A, Li, Y, Su, Y, Wong, S, Lu, J, Colson, L, Wu, C, Li, S, Chen, Y. | Deposit date: | 2011-03-20 | Release date: | 2011-12-14 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Insights into High Affinity Small Ubiquitin-like Modifier (SUMO) Recognition by SUMO-interacting Motifs (SIMs) Revealed by a Combination of NMR and Peptide Array Analysis. J.Biol.Chem., 287, 2012
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7CE2
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![BU of 7ce2 by Molmil](/molmil-images/mine/7ce2) | The Crystal structure of TeNT Hc complexed with neutralizing antibody | Descriptor: | Tetanus toxin, neutralizing antibody heavy chain, neutralizing antibody light chain | Authors: | Wang, X, Wang, Y, Wu, C, Yu, J, Liao, H. | Deposit date: | 2020-06-21 | Release date: | 2021-04-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structural basis of tetanus toxin neutralization by native human monoclonal antibodies. Cell Rep, 35, 2021
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6IMG
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![BU of 6img by Molmil](/molmil-images/mine/6img) | Solution Structure of Bicyclic Peptide pb-13 | Descriptor: | (ACE)-GLY-CYS-PRO-CYS-ILE-TRP-PRO-GLU-LEU-CYS-PRO-TRP-ILE-ARG-SER-CYS-(NH2) | Authors: | Yao, H, Lin, P, Zha, J, Zha, M, Zhao, Y, Wu, C. | Deposit date: | 2018-10-22 | Release date: | 2019-08-28 | Method: | SOLUTION NMR | Cite: | Ordered and Isomerically Stable Bicyclic Peptide Scaffolds Constrained through Cystine Bridges and Proline Turns. Chembiochem, 20, 2019
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6IMH
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![BU of 6imh by Molmil](/molmil-images/mine/6imh) | Solution Structure of Bicyclic Peptide pb-18 | Descriptor: | (ACE)-GLY-CYS-PRO-CYS-GLU-PRO-SER-TYR-LEU-CYS-PRO-TRP-LEU-PRO-GLY-CYS-(NH2) | Authors: | Yao, H, Lin, P, Zha, J, Zha, M, Zhao, Y, Wu, C. | Deposit date: | 2018-10-22 | Release date: | 2019-08-28 | Method: | SOLUTION NMR | Cite: | Ordered and Isomerically Stable Bicyclic Peptide Scaffolds Constrained through Cystine Bridges and Proline Turns. Chembiochem, 20, 2019
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7YDX
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![BU of 7ydx by Molmil](/molmil-images/mine/7ydx) | Crystal structure of human RIPK1 kinase domain in complex with compound RI-962 | Descriptor: | 1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-phenylethyl]indole-3-carboxamide, IODIDE ION, Receptor-interacting serine/threonine-protein kinase 1 | Authors: | Zhang, L, Wang, Y, Li, Y, Wu, C, Luo, X, Wang, T, Lei, J, Yang, S. | Deposit date: | 2022-07-04 | Release date: | 2023-04-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.642 Å) | Cite: | Generative deep learning enables the discovery of a potent and selective RIPK1 inhibitor. Nat Commun, 13, 2022
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7CJT
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![BU of 7cjt by Molmil](/molmil-images/mine/7cjt) | Crystal Structure of SETDB1 Tudor domain in complexed with (R,R)-59 | Descriptor: | 2-[[(3~{R},5~{R})-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-3-prop-2-enyl-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one, Histone-lysine N-methyltransferase SETDB1 | Authors: | Guo, Y.P, Liang, X, Mao, X, Wu, C, Luyi, H, Yang, S. | Deposit date: | 2020-07-13 | Release date: | 2021-04-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.474 Å) | Cite: | Structure-Guided Discovery of a Potent and Selective Cell-Active Inhibitor of SETDB1 Tudor Domain. Angew.Chem.Int.Ed.Engl., 60, 2021
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7CD9
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![BU of 7cd9 by Molmil](/molmil-images/mine/7cd9) | Crystal Structure of SETDB1 tudor domain in complexed with Compound 6 | Descriptor: | 3-methyl-2-[[(3R,5R)-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one, CITRIC ACID, Histone-lysine N-methyltransferase SETDB1 | Authors: | Xiong, L, Guo, Y, Mao, X, Huang, L, Wu, C, Yang, S. | Deposit date: | 2020-06-19 | Release date: | 2021-04-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-Guided Discovery of a Potent and Selective Cell-Active Inhibitor of SETDB1 Tudor Domain. Angew.Chem.Int.Ed.Engl., 60, 2021
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7ELY
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![BU of 7ely by Molmil](/molmil-images/mine/7ely) | |