6LKW
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![BU of 6lkw by Molmil](/molmil-images/mine/6lkw) | Structural and functional insights into macrophage migration inhibitory factor from Oncomelania hupensis, the intermediate host of Schistosoma japonicum | Descriptor: | CHLORIDE ION, Macrophage migration inhibitory factor | Authors: | Su, Z.M, Tian, X.Y, Li, H.J, Wei, Z.M, Chen, L.F, Ren, H.X, Peng, W.F, Tang, C.T. | Deposit date: | 2019-12-20 | Release date: | 2020-07-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural and functional insights into macrophage migration inhibitory factor from Oncomelania hupensis, the intermediate host of Schistosoma japonicum. Biochem.J., 477, 2020
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3R6K
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![BU of 3r6k by Molmil](/molmil-images/mine/3r6k) | Crystal Structure of the Capsid P Domain from Norwalk Virus Strain Hiroshima/1999 in complex with HBGA type B (triglycan) | Descriptor: | 1,2-ETHANEDIOL, VP1 protein, alpha-L-fucopyranose-(1-2)-[alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose | Authors: | Hansman, G.S, Biertumpfel, C, McLellan, J.S, Georgiev, I, Chen, L, Zhou, T, Katayama, K, Kwong, P.D. | Deposit date: | 2011-03-21 | Release date: | 2011-05-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structures of GII.10 and GII.12 norovirus protruding domains in complex with histo-blood group antigens reveal details for a potential site of vulnerability. J.Virol., 85, 2011
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7Z8O
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![BU of 7z8o by Molmil](/molmil-images/mine/7z8o) | Crystal structure of SARS-CoV-2 S RBD in complex with a stapled peptide | Descriptor: | 2,4,6-tris(chloromethyl)-1,3,5-triazine, GLYCEROL, Spike protein S1, ... | Authors: | Brear, P, Chen, L, Gaynor, K, Harman, M, Dods, R, Hyvonen, M. | Deposit date: | 2022-03-18 | Release date: | 2023-06-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (0.96 Å) | Cite: | Multivalent bicyclic peptides are an effective antiviral modality that can potently inhibit SARS-CoV-2. Nat Commun, 14, 2023
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3OZJ
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![BU of 3ozj by Molmil](/molmil-images/mine/3ozj) | Crystal structure of human retinoic X receptor alpha complexed with bigelovin and coactivator SRC-1 | Descriptor: | (3aR,4S,4aR,7aR,8R,9aS)-4a,8-dimethyl-3-methylidene-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl acetate, Retinoic acid receptor RXR-alpha, SRC-1, ... | Authors: | Zhang, H, Li, L, Chen, L, Hu, L, Shen, X. | Deposit date: | 2010-09-25 | Release date: | 2011-02-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure basis of bigelovin as a selective RXR agonist with a distinct binding mode J.Mol.Biol., 407, 2011
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3RTP
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![BU of 3rtp by Molmil](/molmil-images/mine/3rtp) | Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration | Descriptor: | Mitogen-activated protein kinase 10, N-[4-cyano-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)acetamide | Authors: | Bowers, S, Truong, A.P, Neitz, R.J, Hom, R.K, Sealy, J.M, Probst, G.D, Quincy, Q, Peterson, B, Chan, W, Galemmo Jr, R.A, Konradi, A.W, Sham, H.L, Pan, H, Lin, M, Yao, N, Artis, D.R, Zhang, H, Chen, L, Dryer, M, Samant, B, Zmolek, W, Wong, K, Lorentzen, C, Goldbach, E, Tonn, G, Quinn, K.P, Sauer, J, Wright, S, Powell, K, Ruslim, L, Ren, Z, Bard, F, Yednock, T.A, Griswold-Prenne, I. | Deposit date: | 2011-05-03 | Release date: | 2013-05-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration. Bioorg.Med.Chem.Lett., 21, 2011
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3Q4A
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3Q47
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![BU of 3q47 by Molmil](/molmil-images/mine/3q47) | |
3Q49
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3ONU
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![BU of 3onu by Molmil](/molmil-images/mine/3onu) | Crystal Structure of P Domain from Norwalk Virus Strain Vietnam 026 | Descriptor: | 1,2-ETHANEDIOL, Capsid protein | Authors: | Hansman, G.S, Biertumpfel, C, Chen, L, Georgiev, I, McLellan, J.S, Katayama, K, Kwong, P.D. | Deposit date: | 2010-08-30 | Release date: | 2011-05-11 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.395 Å) | Cite: | Crystal Structures of GII.10 and GII.12 Norovirus Protruding Domains in Complex with Histo-Blood Group Antigens Reveal Details for a Potential Site of Vulnerability. J.Virol., 85, 2011
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7XCC
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4HVO
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![BU of 4hvo by Molmil](/molmil-images/mine/4hvo) | 1.75 angstrom x-ray crystal structure of cufe reconstituted 3-hydroxyanthranilate-3,4-dioxygenase from cupriavidus metallidurans | Descriptor: | 3-hydroxyanthranilate 3,4-dioxygenase, COPPER (II) ION, FE (II) ION | Authors: | Liu, F, Chen, L, Liu, A. | Deposit date: | 2012-11-06 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | An Iron Reservoir to the Catalytic Metal: THE RUBREDOXIN IRON IN AN EXTRADIOL DIOXYGENASE. J.Biol.Chem., 290, 2015
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4HVQ
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![BU of 4hvq by Molmil](/molmil-images/mine/4hvq) | X-ray crystal structure of FECU reconstituted 3-hydroxyanthranilate-3,4-dioxygenase from cupriavidus metallidurans | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyanthranilate 3,4-dioxygenase, FE (II) ION | Authors: | Liu, F, Chen, L, Liu, A. | Deposit date: | 2012-11-06 | Release date: | 2013-11-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | An Iron Reservoir to the Catalytic Metal: THE RUBREDOXIN IRON IN AN EXTRADIOL DIOXYGENASE. J.Biol.Chem., 290, 2015
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4HSJ
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![BU of 4hsj by Molmil](/molmil-images/mine/4hsj) | 1.88 angstrom x-ray crystal structure of piconlinic-bound 3-hydroxyanthranilate-3,4-dioxygenase | Descriptor: | 3-hydroxyanthranilate 3,4-dioxygenase, FE (II) ION, PYRIDINE-2-CARBOXYLIC ACID | Authors: | Liu, F, Chen, L, Davis, C.I, Liu, A. | Deposit date: | 2012-10-30 | Release date: | 2015-05-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.883 Å) | Cite: | An Iron Reservoir to the Catalytic Metal: THE RUBREDOXIN IRON IN AN EXTRADIOL DIOXYGENASE. J.Biol.Chem., 290, 2015
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3Q6Q
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![BU of 3q6q by Molmil](/molmil-images/mine/3q6q) | Crystal Structure of P Domain from Norwalk Virus Strain Vietnam 026 in complex with disordered HBGA type Lea | Descriptor: | 1,2-ETHANEDIOL, Capsid protein, IMIDAZOLE | Authors: | Hansman, G.S, Biertumpfel, C, Chen, L, Georgiev, I, McLellan, J.S, Katayama, K, Kwong, P.D. | Deposit date: | 2011-01-03 | Release date: | 2011-05-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Crystal structures of GII.10 and GII.12 norovirus protruding domains in complex with histo-blood group antigens reveal details for a potential site of vulnerability. J.Virol., 85, 2011
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3Q6R
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![BU of 3q6r by Molmil](/molmil-images/mine/3q6r) | Crystal Structure of P Domain from Norwalk Virus Strain Vietnam 026 in complex with disordered HBGA type Lex | Descriptor: | 1,2-ETHANEDIOL, Capsid protein, IMIDAZOLE | Authors: | Hansman, G.S, Biertumpfel, C, McLellan, J.S, Chen, L, Georgiev, I, Katayama, K, Kwong, P.D. | Deposit date: | 2011-01-03 | Release date: | 2011-05-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structures of GII.10 and GII.12 norovirus protruding domains in complex with histo-blood group antigens reveal details for a potential site of vulnerability. J.Virol., 85, 2011
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3PZ8
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3JA4
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5YL2
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![BU of 5yl2 by Molmil](/molmil-images/mine/5yl2) | Crystal structure of T2R-TTL-Y28 complex | Descriptor: | (E)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-en-1-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Yang, J.H, Yang, T, Wen, J.L, Chen, L.J. | Deposit date: | 2017-10-16 | Release date: | 2018-04-18 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | The compound millepachine and its derivatives inhibit tubulin polymerization by irreversibly binding to the colchicine-binding site in beta-tubulin. J. Biol. Chem., 2018
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3OV8
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![BU of 3ov8 by Molmil](/molmil-images/mine/3ov8) | Crystal structure of AF1382 from Archaeoglobus fulgidus, High resolution | Descriptor: | ACETATE ION, CHLORIDE ION, Protein AF_1382 | Authors: | Zhu, J.-Y, Zhao, M, Fu, Z.-Q, Yang, H, Chang, J, Hao, X, Chen, L, Rose, J.P, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2010-09-16 | Release date: | 2011-11-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8501 Å) | Cite: | Structure of the Archaeoglobus fulgidus orphan ORF AF1382 determined by sulfur SAD from a moderately diffracting crystal. Acta Crystallogr.,Sect.D, 68, 2012
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3P8F
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7X8R
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![BU of 7x8r by Molmil](/molmil-images/mine/7x8r) | Cryo-EM structure of the Boc5-bound hGLP-1R-Gs complex | Descriptor: | 2,4-bis(3-methoxy-4-thiophen-2-ylcarbonyloxy-phenyl)-1,3-bis[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbonylamino]cyclobutane-1,3-dicarboxylic acid, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Cong, Z.T, Zhou, Q.T, Li, Y, Chen, L.N, Zhang, Z.C, Liang, A.Y, Liu, Q, Wu, X.Y, Dai, A.T, Xia, T, Wu, W, Zhang, Y, Yang, D.H, Wang, M.W. | Deposit date: | 2022-03-14 | Release date: | 2022-06-29 | Method: | ELECTRON MICROSCOPY (2.61 Å) | Cite: | Structural basis of peptidomimetic agonism revealed by small- molecule GLP-1R agonists Boc5 and WB4-24. Proc.Natl.Acad.Sci.USA, 119, 2022
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7X8S
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![BU of 7x8s by Molmil](/molmil-images/mine/7x8s) | Cryo-EM structure of the WB4-24-bound hGLP-1R-Gs complex | Descriptor: | 2,4-bis(3-methoxy-4-thiophen-2-ylcarbonyloxy-phenyl)-1,3-bis[[4-(2-methylpropanoylamino)phenyl]carbonylamino]cyclobutane-1,3-dicarboxylic acid, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Cong, Z.T, Zhou, Q.T, Li, Y, Chen, L.N, Zhang, Z.C, Liang, A.Y, Liu, Q, Wu, X.Y, Dai, A.T, Xia, T, Wu, W, Zhang, Y, Yang, D.H, Wang, M.W. | Deposit date: | 2022-03-14 | Release date: | 2022-06-29 | Method: | ELECTRON MICROSCOPY (3.09 Å) | Cite: | Structural basis of peptidomimetic agonism revealed by small- molecule GLP-1R agonists Boc5 and WB4-24. Proc.Natl.Acad.Sci.USA, 119, 2022
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3PZ7
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3P8G
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![BU of 3p8g by Molmil](/molmil-images/mine/3p8g) | Crystal Structure of MT-SP1 in complex with benzamidine | Descriptor: | 1,2-ETHANEDIOL, BENZAMIDINE, GLUTATHIONE, ... | Authors: | Yuan, C, Huang, M, Chen, L. | Deposit date: | 2010-10-13 | Release date: | 2011-08-03 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structure of catalytic domain of Matriptase in complex with Sunflower trypsin inhibitor-1. Bmc Struct.Biol., 11, 2011
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3R6J
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![BU of 3r6j by Molmil](/molmil-images/mine/3r6j) | Crystal Structure of the Capsid P Domain from Norwalk Virus Strain Hiroshima/1999 | Descriptor: | 1,2-ETHANEDIOL, VP1 protein | Authors: | Hansman, G.S, Biertumpfel, C, McLellan, J.S, Georgiev, I, Chen, L, Zhou, T, Katayama, K, Kwong, P.D. | Deposit date: | 2011-03-21 | Release date: | 2011-05-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structures of GII.10 and GII.12 norovirus protruding domains in complex with histo-blood group antigens reveal details for a potential site of vulnerability. J.Virol., 85, 2011
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