8JT6
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![BU of 8jt6 by Molmil](/molmil-images/mine/8jt6) | 5-HT1A-Gi in complex with compound (R)-IHCH-7179 | Descriptor: | 1-(4-fluorophenyl)-4-[(7R)-2,5,11-triazatetracyclo[7.6.1.0^2,7.0^12,16]hexadeca-1(15),9,12(16),13-tetraen-5-yl]butan-1-one, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Chen, Z, Xu, P, Huang, S, Xu, H.E, Wang, S. | Deposit date: | 2023-06-21 | Release date: | 2024-02-28 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Flexible scaffold-based cheminformatics approach for polypharmacological drug design. Cell, 187, 2024
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8HIT
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![BU of 8hit by Molmil](/molmil-images/mine/8hit) | Crystal structure of anti-CTLA-4 humanized IgG1 MAb--JS007 in complex with human CTLA-4 | Descriptor: | Cytotoxic T-lymphocyte protein 4, JS007-VH, JS007-VL | Authors: | Tan, S, Shi, Y, Wang, Q, Gao, G.F, Guan, J, Chai, Y, Qi, J. | Deposit date: | 2022-11-21 | Release date: | 2023-02-01 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Characterization of the high-affinity anti-CTLA-4 monoclonal antibody JS007 for immune checkpoint therapy of cancer. Mabs, 15, 2023
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5XRG
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![BU of 5xrg by Molmil](/molmil-images/mine/5xrg) | Galectin-10/Charcot-Leyden crystal protein crystal structure | Descriptor: | GLYCEROL, Galectin-10 | Authors: | Su, J. | Deposit date: | 2017-06-08 | Release date: | 2018-01-24 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Galectin-10: a new structural type of prototype galectin dimer and effects on saccharide ligand binding. Glycobiology, 28, 2018
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5XRK
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![BU of 5xrk by Molmil](/molmil-images/mine/5xrk) | |
5XNB
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![BU of 5xnb by Molmil](/molmil-images/mine/5xnb) | |
5XG8
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![BU of 5xg8 by Molmil](/molmil-images/mine/5xg8) | Galectin-13/Placental Protein 13 variant R53H crystal structure | Descriptor: | GLYCEROL, Galactoside-binding soluble lectin 13 | Authors: | Wang, Y, Su, J.Y. | Deposit date: | 2017-04-12 | Release date: | 2018-01-31 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Galectin-13, a different prototype galectin, does not bind beta-galacto-sides and forms dimers via intermolecular disulfide bridges between Cys-136 and Cys-138 Sci Rep, 8, 2018
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5XRP
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![BU of 5xrp by Molmil](/molmil-images/mine/5xrp) | Galectin-10/Charcot-Leyden crystal protein variant Q75A | Descriptor: | GLYCEROL, Galectin-10 | Authors: | Su, J. | Deposit date: | 2017-06-08 | Release date: | 2018-01-24 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Galectin-10: a new structural type of prototype galectin dimer and effects on saccharide ligand binding. Glycobiology, 28, 2018
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5XRO
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![BU of 5xro by Molmil](/molmil-images/mine/5xro) | |
5XG7
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![BU of 5xg7 by Molmil](/molmil-images/mine/5xg7) | Galectin-13/Placental Protein 13 crystal structure | Descriptor: | Galactoside-binding soluble lectin 13 | Authors: | Su, J.Y, Wang, Y. | Deposit date: | 2017-04-12 | Release date: | 2018-01-31 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Galectin-13, a different prototype galectin, does not bind beta-galacto-sides and forms dimers via intermolecular disulfide bridges between Cys-136 and Cys-138 Sci Rep, 8, 2018
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5XRI
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5XRJ
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6S50
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5XXH
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![BU of 5xxh by Molmil](/molmil-images/mine/5xxh) | Crystal Structure Analysis of the CBP | Descriptor: | (3S)-1-[2-(3-ethanoylindol-1-yl)ethanoyl]piperidine-3-carboxylic acid, 1,2-ETHANEDIOL, CREB-binding protein, ... | Authors: | Xiang, Q, Zhang, Y, Wang, C, Song, M. | Deposit date: | 2017-07-04 | Release date: | 2018-06-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Discovery and optimization of 1-(1H-indol-1-yl)ethanone derivatives as CBP/EP300 bromodomain inhibitors for the treatment of castration-resistant prostate cancer. Eur J Med Chem, 147, 2018
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5XRL
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![BU of 5xrl by Molmil](/molmil-images/mine/5xrl) | |
5XRM
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![BU of 5xrm by Molmil](/molmil-images/mine/5xrm) | |
5XRH
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![BU of 5xrh by Molmil](/molmil-images/mine/5xrh) | Galectin-10/Charcot-Leyden crystal protein crystal structure | Descriptor: | Galectin-10 | Authors: | Su, J. | Deposit date: | 2017-06-08 | Release date: | 2018-01-24 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Galectin-10: a new structural type of prototype galectin dimer and effects on saccharide ligand binding. Glycobiology, 28, 2018
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5XRN
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5Y03
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![BU of 5y03 by Molmil](/molmil-images/mine/5y03) | Galectin-13/Placental Protein 13 variant R53H crystal structure | Descriptor: | Galactoside-binding soluble lectin 13 | Authors: | Wang, Y, Su, J. | Deposit date: | 2017-07-14 | Release date: | 2018-01-31 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Galectin-13, a different prototype galectin, does not bind beta-galacto-sides and forms dimers via intermolecular disulfide bridges between Cys-136 and Cys-138. Sci Rep, 8, 2018
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6TQG
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![BU of 6tqg by Molmil](/molmil-images/mine/6tqg) | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Glucose-1-phosphate thymidylyltransferase, ... | Authors: | Alphey, M.S, Xiao, G, Westwood, J.N. | Deposit date: | 2019-12-16 | Release date: | 2020-08-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Next generation Glucose-1-phosphate thymidylyltransferase (RmlA) inhibitors: An extended SAR study to direct future design. Bioorg.Med.Chem., 50, 2021
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3PPV
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![BU of 3ppv by Molmil](/molmil-images/mine/3ppv) | Crystal structure of an engineered VWF A2 domain (N1493C and C1670S) | Descriptor: | CALCIUM ION, SULFATE ION, von Willebrand factor | Authors: | Zhou, M, Dong, X, Zhong, C, Ding, J. | Deposit date: | 2010-11-25 | Release date: | 2011-05-04 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A novel calcium-binding site of von Willebrand factor A2 domain regulates its cleavage by ADAMTS13 Blood, 117, 2011
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3PPY
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![BU of 3ppy by Molmil](/molmil-images/mine/3ppy) | Crystal structure of the D1596A/N1602A double mutant of an engineered VWF A2 domain (N1493C and C1670S) | Descriptor: | SODIUM ION, von Willebrand factor | Authors: | Zhou, M, Dong, X, Zhong, C, Ding, J. | Deposit date: | 2010-11-25 | Release date: | 2011-05-04 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A novel calcium-binding site of von Willebrand factor A2 domain regulates its cleavage by ADAMTS13 Blood, 117, 2011
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6T37
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![BU of 6t37 by Molmil](/molmil-images/mine/6t37) | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Glucose-1-phosphate thymidylyltransferase, ... | Authors: | Alphey, M.S, Xiao, G, Westwood, J.N. | Deposit date: | 2019-10-10 | Release date: | 2020-08-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.079 Å) | Cite: | Next generation Glucose-1-phosphate thymidylyltransferase (RmlA) inhibitors: An extended SAR study to direct future design. Bioorg.Med.Chem., 50, 2021
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3PPW
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![BU of 3ppw by Molmil](/molmil-images/mine/3ppw) | Crystal structure of the D1596A mutant of an engineered VWF A2 domain (N1493C and C1670S) | Descriptor: | SODIUM ION, von Willebrand factor | Authors: | Zhou, M, Dong, X, Zhong, C, Ding, J. | Deposit date: | 2010-11-25 | Release date: | 2011-05-04 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A novel calcium-binding site of von Willebrand factor A2 domain regulates its cleavage by ADAMTS13 Blood, 117, 2011
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6V8X
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![BU of 6v8x by Molmil](/molmil-images/mine/6v8x) | VRC01 Bound BG505 F14 HIV-1 SOSIP Envelope Trimer Structure | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | Authors: | Henderson, R, Acharya, P. | Deposit date: | 2019-12-12 | Release date: | 2020-02-05 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Disruption of the HIV-1 Envelope allosteric network blocks CD4-induced rearrangements. Nat Commun, 11, 2020
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6E3Z
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![BU of 6e3z by Molmil](/molmil-images/mine/6e3z) | Structure of Bace-1 in complex with Ligand 8 | Descriptor: | Beta-secretase 1, N-{3-[(2R,3R)-5-amino-3-methyl-2-(trifluoromethyl)-3,6-dihydro-2H-1,4-oxazin-3-yl]-4-fluorophenyl}-3,5-dichloropyridine-2-carboxamide | Authors: | Shaffer, P.L. | Deposit date: | 2018-07-16 | Release date: | 2019-09-11 | Last modified: | 2020-03-25 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Discovery and Chemical Development of JNJ-50138803, a Clinical Candidate BACE1 Inhibitor Acs Symp.Ser., 1307, 2020
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