3LLZ
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![BU of 3llz by Molmil](/molmil-images/mine/3llz) | Crystal Structure Analysis of Maclura pomifera agglutinin complex with Gal-beta-1,3-GalNAc | Descriptor: | Agglutinin alpha chain, Agglutinin beta-2 chain, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose | Authors: | Huang, J, Xu, Z, Wang, D, Ogato, C, Hirama, T, Palczewski, K, Hazen, S.L, Lee, X, Young, N.M. | Deposit date: | 2010-01-29 | Release date: | 2010-09-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Characterization of the secondary binding sites of Maclura pomifera agglutinin by glycan array and crystallographic analyses. Glycobiology, 20, 2010
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3LLY
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![BU of 3lly by Molmil](/molmil-images/mine/3lly) | Crystal Structure Analysis of Maclura pomifera agglutinin | Descriptor: | Agglutinin alpha chain, Agglutinin beta-2 chain | Authors: | Huang, J, Xu, Z, Wang, D, Ogato, C, Hirama, T, Palczewski, K, Hazen, S.L, Lee, X, Young, N.M. | Deposit date: | 2010-01-29 | Release date: | 2010-09-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Characterization of the secondary binding sites of Maclura pomifera agglutinin by glycan array and crystallographic analyses. Glycobiology, 20, 2010
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4NIQ
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![BU of 4niq by Molmil](/molmil-images/mine/4niq) | Crystal Structure of Vps4 MIT-Vfa1 MIM2 | Descriptor: | VPS4-associated protein 1, Vacuolar protein sorting-associated protein 4 | Authors: | Vild, C.J, Xu, Z. | Deposit date: | 2013-11-06 | Release date: | 2014-03-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.301 Å) | Cite: | Vfa1 Binds to the N-terminal Microtubule-interacting and Trafficking (MIT) Domain of Vps4 and Stimulates Its ATPase Activity. J.Biol.Chem., 289, 2014
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8HJE
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![BU of 8hje by Molmil](/molmil-images/mine/8hje) | Vismodegib binds to the catalytical domain of human Ubiquitin-Specific Protease 28 | Descriptor: | 2-chloranyl-~{N}-(4-chloranyl-3-pyridin-2-yl-phenyl)-4-methylsulfonyl-benzamide, Ubiquitin carboxyl-terminal hydrolase 28 | Authors: | Shi, L, Wang, H, Xu, Z, Xiong, B, Zhang, N. | Deposit date: | 2022-11-23 | Release date: | 2023-05-03 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structure-based discovery of potent USP28 inhibitors derived from Vismodegib. Eur.J.Med.Chem., 254, 2023
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5YOC
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![BU of 5yoc by Molmil](/molmil-images/mine/5yoc) | Crystal Structure of flavodoxin with engineered disulfide bond C102-R125C | Descriptor: | FLAVIN MONONUCLEOTIDE, Flavodoxin, GLYCEROL | Authors: | Pu, M, Xu, Z, Song, G, Liu, Z.J. | Deposit date: | 2017-10-27 | Release date: | 2017-12-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Protein crystal quality oriented disulfide bond engineering. Protein Cell, 9, 2018
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5YOG
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![BU of 5yog by Molmil](/molmil-images/mine/5yog) | Crystal Structure of flavodoxin with engineered disulfide bond N14C-C93 | Descriptor: | FLAVIN MONONUCLEOTIDE, Flavodoxin, GLYCEROL, ... | Authors: | Pu, M, Xu, Z, Song, G, Liu, Z.J. | Deposit date: | 2017-10-27 | Release date: | 2018-03-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Protein crystal quality oriented disulfide bond engineering. Protein Cell, 9, 2018
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5YO4
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![BU of 5yo4 by Molmil](/molmil-images/mine/5yo4) | |
5YO5
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![BU of 5yo5 by Molmil](/molmil-images/mine/5yo5) | |
5YOE
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![BU of 5yoe by Molmil](/molmil-images/mine/5yoe) | Crystal Structure of flavodoxin with engineered disulfide bond A43C-L74C | Descriptor: | FLAVIN MONONUCLEOTIDE, Flavodoxin, GLYCEROL | Authors: | Pu, M, Xu, Z, Song, G, Liu, Z.J. | Deposit date: | 2017-10-27 | Release date: | 2017-12-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Protein crystal quality oriented disulfide bond engineering. Protein Cell, 9, 2018
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5YM7
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![BU of 5ym7 by Molmil](/molmil-images/mine/5ym7) | |
5YO6
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![BU of 5yo6 by Molmil](/molmil-images/mine/5yo6) | |
5YO3
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![BU of 5yo3 by Molmil](/molmil-images/mine/5yo3) | Crystal Structure of B562RIL with engineered disulfide bond V16C-A29C | Descriptor: | SULFATE ION, Soluble cytochrome b562 | Authors: | Pu, M, Xu, Z, Song, G, Liu, Z.J. | Deposit date: | 2017-10-26 | Release date: | 2018-05-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Protein crystal quality oriented disulfide bond engineering. Protein Cell, 9, 2018
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5YOB
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![BU of 5yob by Molmil](/molmil-images/mine/5yob) | Crystal Structure of flavodoxin without engineered disulfide bond | Descriptor: | FLAVIN MONONUCLEOTIDE, Flavodoxin, GLYCEROL | Authors: | Pu, M, Xu, Z, Song, G, Liu, Z.J. | Deposit date: | 2017-10-27 | Release date: | 2017-12-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.142 Å) | Cite: | Protein crystal quality oriented disulfide bond engineering. Protein Cell, 9, 2018
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8JY0
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![BU of 8jy0 by Molmil](/molmil-images/mine/8jy0) | Crystal structure of RhoBAST complexed with TMR-DN | Descriptor: | 2,4-dinitroaniline, 5-aminocarbonyl-2-[3-(dimethylamino)-6-dimethylazaniumylidene-xanthen-9-yl]benzoate, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Zhang, Y, Xiao, Y, Xu, Z, Fang, X. | Deposit date: | 2023-07-02 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structural mechanisms for binding and activation of a contact-quenched fluorophore by RhoBAST. Nat Commun, 15, 2024
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7XYQ
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![BU of 7xyq by Molmil](/molmil-images/mine/7xyq) | Crystal strucutre of PD-L1 and the computationally designed DBL1_03 protein binder | Descriptor: | ARGININE, CD274 molecule, DBL1_03 | Authors: | Liu, K, Xu, Z, Han, P, Pacesa, M, Gao, G.F, Chai, Y, Tan, S. | Deposit date: | 2022-06-02 | Release date: | 2023-04-12 | Last modified: | 2023-05-17 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | De novo design of protein interactions with learned surface fingerprints. Nature, 617, 2023
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7DFL
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![BU of 7dfl by Molmil](/molmil-images/mine/7dfl) | Cryo-EM structure of histamine H1 receptor Gq complex | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(q) subunit alpha, ... | Authors: | He, Y, Xia, R, Wang, N, Xu, Z. | Deposit date: | 2020-11-09 | Release date: | 2021-03-31 | Last modified: | 2021-04-21 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-EM structure of the human histamine H 1 receptor/G q complex. Nat Commun, 12, 2021
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3KM4
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![BU of 3km4 by Molmil](/molmil-images/mine/3km4) | Optimization of Orally Bioavailable Alkyl Amine Renin Inhibitors | Descriptor: | (3R)-3-[(1S)-4-(acetylamino)-1-(3-chlorophenyl)-1-hydroxybutyl]-N-{(1S)-2-cyclohexyl-1-[(methylamino)methyl]ethyl}piperidine-1-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wu, Z, McKeever, B.M. | Deposit date: | 2009-11-09 | Release date: | 2010-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Optimization of orally bioavailable alkyl amine renin inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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3SHZ
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![BU of 3shz by Molmil](/molmil-images/mine/3shz) | Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | Descriptor: | 5-chloro-6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Chen, T.T, Chen, T, Xu, Y.C. | Deposit date: | 2011-06-17 | Release date: | 2011-08-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.449 Å) | Cite: | Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors. J.Med.Chem., 54, 2011
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3SHY
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![BU of 3shy by Molmil](/molmil-images/mine/3shy) | Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | Descriptor: | 6-ethyl-5-fluoro-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Chen, T.T, Chen, T, Xu, Y.C. | Deposit date: | 2011-06-17 | Release date: | 2011-08-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.647 Å) | Cite: | Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors. J.Med.Chem., 54, 2011
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3SIE
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![BU of 3sie by Molmil](/molmil-images/mine/3sie) | Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | Descriptor: | 5-bromo-6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, cGMP-specific 3',5'-cyclic phosphodiesterase | Authors: | Chen, T.T, Chen, T, Xu, Y.C. | Deposit date: | 2011-06-17 | Release date: | 2011-08-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors. J.Med.Chem., 54, 2011
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1LIB
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![BU of 1lib by Molmil](/molmil-images/mine/1lib) | |
1LIF
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![BU of 1lif by Molmil](/molmil-images/mine/1lif) | |
1LID
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![BU of 1lid by Molmil](/molmil-images/mine/1lid) | |
8W7S
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![BU of 8w7s by Molmil](/molmil-images/mine/8w7s) | Yeast replisome in state IV | Descriptor: | Cell division control protein 45, DNA (71-mer), DNA polymerase alpha-binding protein, ... | Authors: | Dang, S, Zhai, Y, Feng, J, Yu, D. | Deposit date: | 2023-08-31 | Release date: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (7.39 Å) | Cite: | Synergism between CMG helicase and leading strand DNA polymerase at replication fork. Nat Commun, 14, 2023
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4G84
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![BU of 4g84 by Molmil](/molmil-images/mine/4g84) | Crystal structure of human HisRS | Descriptor: | CHLORIDE ION, Histidine--tRNA ligase, cytoplasmic, ... | Authors: | Wei, Z, Wu, J, Zhou, J.J, Yang, X.-L, Zhang, M, Schimmel, P. | Deposit date: | 2012-07-21 | Release date: | 2012-09-26 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Internally Deleted Human tRNA Synthetase Suggests Evolutionary Pressure for Repurposing. Structure, 20, 2012
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