3V5X
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![BU of 3v5x by Molmil](/molmil-images/mine/3v5x) | Structure of FBXL5 hemerythrin domain, C2 cell | Descriptor: | F-box/LRR-repeat protein 5, MU-OXO-DIIRON | Authors: | Tomchick, D.R, Bruick, R.K, Thompson, J.W, Brautigam, C.A. | Deposit date: | 2011-12-17 | Release date: | 2012-01-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural and Molecular Characterization of Iron-sensing Hemerythrin-like Domain within F-box and Leucine-rich Repeat Protein 5 (FBXL5). J.Biol.Chem., 287, 2012
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1WCQ
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![BU of 1wcq by Molmil](/molmil-images/mine/1wcq) | Mutagenesis of the Nucleophilic Tyrosine in a Bacterial Sialidase to Phenylalanine. | Descriptor: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, GLYCEROL, SIALIDASE, ... | Authors: | Newstead, S, Watson, J.N, Bennet, A.J, Taylor, G. | Deposit date: | 2004-11-19 | Release date: | 2005-10-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Two Nucleophilic Mutants of the Micromonospora Viridifaciens Sialidase Operate with Retention of Configuration by Two Different Mechanisms. Chembiochem, 6, 2005
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1IF0
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![BU of 1if0 by Molmil](/molmil-images/mine/1if0) | PSEUDO-ATOMIC MODEL OF BACTERIOPHAGE HK97 PROCAPSID (PROHEAD II) | Descriptor: | PROTEIN (MAJOR CAPSID PROTEIN GP5) | Authors: | Conway, J.F, Wikoff, W.R, Cheng, N, Duda, R.L, Hendrix, R.W, Johnson, J.E, Steven, A.C. | Deposit date: | 2001-04-11 | Release date: | 2001-05-02 | Last modified: | 2024-02-07 | Method: | ELECTRON MICROSCOPY (12 Å) | Cite: | Virus maturation involving large subunit rotations and local refolding. Science, 292, 2001
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1X8B
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![BU of 1x8b by Molmil](/molmil-images/mine/1x8b) | Structure of human Wee1A kinase: kinase domain complexed with inhibitor PD0407824 | Descriptor: | 9-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE, MAGNESIUM ION, Wee1-like protein kinase | Authors: | Squire, C.J, Dickson, J.M, Ivanovic, I, Baker, E.N. | Deposit date: | 2004-08-17 | Release date: | 2005-06-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Structure and inhibition of the human cell cycle checkpoint kinase, Wee1A kinase: an atypical tyrosine kinase with a key role in CDK1 regulation Structure, 13, 2005
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8JEP
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![BU of 8jep by Molmil](/molmil-images/mine/8jep) | Crystal structure of Ociperlimab | Descriptor: | antibody heavy chain, antibody light chain | Authors: | Sun, J, Zhang, X.X, Song, J. | Deposit date: | 2023-05-16 | Release date: | 2024-02-28 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural insights into the unique pH-responsive characteristics of the anti-TIGIT therapeutic antibody Ociperlimab. Structure, 32, 2024
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8JEQ
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![BU of 8jeq by Molmil](/molmil-images/mine/8jeq) | Crystal structure of Tiragolumab | Descriptor: | antibody heavy chain, antibody light chain | Authors: | Sun, J, Zhang, X.X, Song, J. | Deposit date: | 2023-05-16 | Release date: | 2024-02-28 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structural insights into the unique pH-responsive characteristics of the anti-TIGIT therapeutic antibody Ociperlimab. Structure, 32, 2024
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6TPN
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![BU of 6tpn by Molmil](/molmil-images/mine/6tpn) | Crystal structure of the Orexin-2 receptor in complex with HTL6641 at 2.61 A resolution | Descriptor: | 2-(5,6-dimethoxypyridin-3-yl)-1,1-bis(oxidanylidene)-4-[[2,4,6-tris(fluoranyl)phenyl]methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one, NITRATE ION, OLEIC ACID, ... | Authors: | Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A. | Deposit date: | 2019-12-13 | Release date: | 2020-01-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.608 Å) | Cite: | Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis. J.Med.Chem., 63, 2020
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6TOD
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![BU of 6tod by Molmil](/molmil-images/mine/6tod) | Crystal structure of the Orexin-1 receptor in complex with EMPA | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CITRIC ACID, N-ethyl-2-[(6-methoxypyridin-3-yl)-(2-methylphenyl)sulfonyl-amino]-N-(pyridin-3-ylmethyl)ethanamide, ... | Authors: | Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A. | Deposit date: | 2019-12-11 | Release date: | 2020-01-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis. J.Med.Chem., 63, 2020
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6TQ9
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![BU of 6tq9 by Molmil](/molmil-images/mine/6tq9) | Crystal structure of the Orexin-1 receptor in complex with SB-408124 | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, 1-[6,8-bis(fluoranyl)-2-methyl-quinolin-4-yl]-3-[4-(dimethylamino)phenyl]urea, Orexin receptor type 1, ... | Authors: | Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A. | Deposit date: | 2019-12-16 | Release date: | 2020-01-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.655 Å) | Cite: | Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis. J.Med.Chem., 63, 2020
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6TO7
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![BU of 6to7 by Molmil](/molmil-images/mine/6to7) | Crystal structure of the Orexin-1 receptor in complex with suvorexant at 2.29 A resolution | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CITRIC ACID, Orexin receptor type 1, ... | Authors: | Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A. | Deposit date: | 2019-12-11 | Release date: | 2020-01-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis. J.Med.Chem., 63, 2020
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6TPJ
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![BU of 6tpj by Molmil](/molmil-images/mine/6tpj) | Crystal structure of the Orexin-2 receptor in complex with suvorexant at 2.76 A resolution | Descriptor: | AMMONIUM ION, OLEIC ACID, Orexin receptor type 2,GlgA glycogen synthase,Hypocretin receptor-2, ... | Authors: | Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A. | Deposit date: | 2019-12-13 | Release date: | 2020-01-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis. J.Med.Chem., 63, 2020
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6TQ7
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![BU of 6tq7 by Molmil](/molmil-images/mine/6tq7) | Crystal structure of the Orexin-1 receptor in complex with SB-334867 | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, 1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea, Orexin receptor type 1, ... | Authors: | Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A. | Deposit date: | 2019-12-16 | Release date: | 2020-01-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6636 Å) | Cite: | Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis. J.Med.Chem., 63, 2020
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6TOT
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![BU of 6tot by Molmil](/molmil-images/mine/6tot) | Crystal structure of the Orexin-1 receptor in complex with lemborexant | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, (1~{R},2~{S})-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-~{N}-(5-fluoranylpyridin-2-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide, Orexin receptor type 1, ... | Authors: | Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A. | Deposit date: | 2019-12-11 | Release date: | 2020-01-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis. J.Med.Chem., 63, 2020
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6TP3
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![BU of 6tp3 by Molmil](/molmil-images/mine/6tp3) | Crystal structure of the Orexin-1 receptor in complex with daridorexant | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, Orexin receptor type 1, SULFATE ION, ... | Authors: | Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A. | Deposit date: | 2019-12-12 | Release date: | 2020-01-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.04 Å) | Cite: | Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis. J.Med.Chem., 63, 2020
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2FOI
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![BU of 2foi by Molmil](/molmil-images/mine/2foi) | Synthesis, Biological Activity, and X-Ray Crystal Structural Analysis of Diaryl Ether Inhibitors of Malarial Enoyl ACP Reductase. | Descriptor: | 4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL-3-OL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, enoyl-acyl carrier reductase | Authors: | Freundlich, J.S, Shieh, H, Anderson, J.W, Kuo, M, Yu, M, Valderramos, J, Karagyozov, L, Tsai, H, Lucumi, E, Jacobs Jr, W.R, Schiehser, G.A, Jacobus, D.P, Fidock, D.A, Sacchettini, J.C. | Deposit date: | 2006-01-13 | Release date: | 2007-01-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | X-ray Structural Analysis of Plasmodium falciparum Enoyl Acyl Carrier Protein Reductase as a Pathway toward the Optimization of Triclosan Antimalarial Efficacy. J.Biol.Chem., 282, 2007
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6GL3
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![BU of 6gl3 by Molmil](/molmil-images/mine/6gl3) | Crystal structure of human Phosphatidylinositol 4-kinase III beta (PI4KIIIbeta) in complex with ligand 44 | Descriptor: | (3~{S})-4-(6-azanyl-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl)-~{N}-(4-methoxy-2-methyl-phenyl)-3-methyl-piperazine-1-carboxamide, Phosphatidylinositol 4-kinase beta,Phosphatidylinositol 4-kinase beta | Authors: | Lammens, A, Augustin, M, Steinbacher, S, Reuberson, J. | Deposit date: | 2018-05-22 | Release date: | 2018-08-15 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Discovery of a Potent, Orally Bioavailable PI4KIII beta Inhibitor (UCB9608) Able To Significantly Prolong Allogeneic Organ Engraftment in Vivo. J. Med. Chem., 61, 2018
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6O3A
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![BU of 6o3a by Molmil](/molmil-images/mine/6o3a) | Crystal structure of Frizzled 7 CRD in complex with F7.B Fab | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, ... | Authors: | Raman, S, Beilschmidt, M, Fransson, J, Julien, J.P. | Deposit date: | 2019-02-26 | Release date: | 2019-04-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-guided design fine-tunes pharmacokinetics, tolerability, and antitumor profile of multispecific frizzled antibodies. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6O3B
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![BU of 6o3b by Molmil](/molmil-images/mine/6o3b) | Crystal structure of Frizzled 7 CRD in complex with F6 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody Fab F6, Heavy chain, ... | Authors: | Raman, S, Beilschmidt, M, Fransson, J, Julien, J.P. | Deposit date: | 2019-02-26 | Release date: | 2019-04-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-guided design fine-tunes pharmacokinetics, tolerability, and antitumor profile of multispecific frizzled antibodies. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6O39
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![BU of 6o39 by Molmil](/molmil-images/mine/6o39) | Crystal structure of Frizzled 5 CRD in complex with F2.I Fab | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | Authors: | Raman, S, Beilschmidt, M, Fransson, J, Julien, J.P. | Deposit date: | 2019-02-26 | Release date: | 2019-04-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-guided design fine-tunes pharmacokinetics, tolerability, and antitumor profile of multispecific frizzled antibodies. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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4V9D
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![BU of 4v9d by Molmil](/molmil-images/mine/4v9d) | Structures of the bacterial ribosome in classical and hybrid states of tRNA binding | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Dunkle, J.A, Wang, L, Feldman, M.B, Pulk, A, Chen, V.B, Kapral, G.J, Noeske, J, Richardson, J.S, Blanchard, S.C, Cate, J.H.D. | Deposit date: | 2012-07-31 | Release date: | 2014-07-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structures of the bacterial ribosome in classical and hybrid states of tRNA binding. Science, 332, 2011
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7LO8
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![BU of 7lo8 by Molmil](/molmil-images/mine/7lo8) | NorA in complex with Fab36 | Descriptor: | Fab36 Heavy Chain, Fab36 Light Chain, Quinolone resistance protein NorA | Authors: | Brawley, D.N, Sauer, D.B, Song, J.M, Koide, A, Koide, S, Traaseth, N.J, Wang, D.N. | Deposit date: | 2021-02-09 | Release date: | 2022-04-20 | Last modified: | 2022-07-13 | Method: | ELECTRON MICROSCOPY (3.16 Å) | Cite: | Structural basis for inhibition of the drug efflux pump NorA from Staphylococcus aureus. Nat.Chem.Biol., 18, 2022
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7LO7
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![BU of 7lo7 by Molmil](/molmil-images/mine/7lo7) | NorA in complex with Fab25 | Descriptor: | Fab25 Heavy Chain, Fab25 Light Chain, Quinolone resistance protein NorA | Authors: | Brawley, D.N, Sauer, D.B, Song, J.M, Koide, A, Koide, S, Traaseth, N.J, Wang, D.N. | Deposit date: | 2021-02-09 | Release date: | 2022-04-20 | Last modified: | 2022-07-13 | Method: | ELECTRON MICROSCOPY (3.74 Å) | Cite: | Structural basis for inhibition of the drug efflux pump NorA from Staphylococcus aureus. Nat.Chem.Biol., 18, 2022
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8JBJ
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![BU of 8jbj by Molmil](/molmil-images/mine/8jbj) | Crystal structure of anti-PVRIG Fab | Descriptor: | antibody heavy chain, antibody light chain | Authors: | Sun, J, Li, X.L, Song, J. | Deposit date: | 2023-05-09 | Release date: | 2023-06-21 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Identification and characterization of an unexpected isomerization motif in CDRH2 that affects antibody activity. Mabs, 15, 2023
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4GO6
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![BU of 4go6 by Molmil](/molmil-images/mine/4go6) | Crystal structure of HCF-1 self-association sequence 1 | Descriptor: | HCF C-terminal chain 1, HCF N-terminal chain 1, SULFATE ION | Authors: | Park, J, Lammers, F, Herr, W, Song, J. | Deposit date: | 2012-08-18 | Release date: | 2012-10-17 | Last modified: | 2013-07-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | HCF-1 self-association via an interdigitated Fn3 structure facilitates transcriptional regulatory complex formation Proc.Natl.Acad.Sci.USA, 109, 2012
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3CMH
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![BU of 3cmh by Molmil](/molmil-images/mine/3cmh) | SYNTHETIC LINEAR TRUNCATED ENDOTHELIN-1 AGONIST | Descriptor: | PROTEIN (ENDOTHELIN-1) | Authors: | Hewage, C.M, Jiang, L, Parkinson, J.A, Ramage, R, Sadler, I.H. | Deposit date: | 1998-09-03 | Release date: | 1999-09-29 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure of a novel ETB receptor selective agonist ET1-21 [Cys(Acm)1,15, Aib3,11, Leu7] by nuclear magnetic resonance spectroscopy and molecular modelling. J.Pept.Res., 53, 1999
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