2AS4
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![BU of 2as4 by Molmil](/molmil-images/mine/2as4) | cytochrome c peroxidase in complex with 3-fluorocatechol | Descriptor: | 3-FLUOROBENZENE-1,2-DIOL, Cytochrome c peroxidase, mitochondrial, ... | Authors: | Brenk, R, Vetter, S.W, Boyce, S.E, Goodin, D.B, Shoichet, B.K. | Deposit date: | 2005-08-22 | Release date: | 2006-04-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Probing molecular docking in a charged model binding site. J.Mol.Biol., 357, 2006
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4BIP
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![BU of 4bip by Molmil](/molmil-images/mine/4bip) | Homology model of coxsackievirus A7 (CAV7) full capsid proteins. | Descriptor: | VP1, VP2, VP3 | Authors: | Seitsonen, J.J.T, Shakeel, S, Susi, P, Pandurangan, A.P, Sinkovits, R.S, Hyvonen, H, Laurinmaki, P, Yla-Pelto, J, Topf, M, Hyypia, T, Butcher, S.J. | Deposit date: | 2013-04-12 | Release date: | 2013-10-02 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (8.23 Å) | Cite: | Combined Approaches to Flexible Fitting and Assessment in Virus Capsids Undergoing Conformational Change. J.Struct.Biol., 185, 2014
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6HRO
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![BU of 6hro by Molmil](/molmil-images/mine/6hro) | Crystal structure of Ebolavirus glycoprotein in complex with inhibitor 118a | Descriptor: | 1-[2-[4-[4-(4-chlorophenyl)-3-methyl-1~{H}-pyrazol-5-yl]-3-oxidanyl-phenoxy]ethyl]piperidin-1-ium-4-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | Ren, J, Zhao, Y, Stuart, D.I. | Deposit date: | 2018-09-27 | Release date: | 2019-02-27 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Based in Silico Screening Identifies a Potent Ebolavirus Inhibitor from a Traditional Chinese Medicine Library. J.Med.Chem., 62, 2019
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4BDL
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![BU of 4bdl by Molmil](/molmil-images/mine/4bdl) | Crystal structure of the GluK2 K531A LBD dimer in complex with glutamate | Descriptor: | GLUTAMATE RECEPTOR, IONOTROPIC KAINATE 2, GLUTAMIC ACID, ... | Authors: | Nayeem, N, Mayans, O, Green, T. | Deposit date: | 2012-10-05 | Release date: | 2013-04-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Correlating Efficacy and Desensitization with Gluk2 Ligand-Binding Domain Movements. Open Biol., 3, 2013
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4ASE
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![BU of 4ase by Molmil](/molmil-images/mine/4ase) | CRYSTAL STRUCTURE OF VEGFR2 (JUXTAMEMBRANE AND KINASE DOMAINS) IN COMPLEX WITH TIVOZANIB (AV-951) | Descriptor: | TIVOZANIB, VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2 | Authors: | McTigue, M, Deng, Y, Ryan, K, Brooun, A, Diehl, W, Stewart, A. | Deposit date: | 2012-04-30 | Release date: | 2012-09-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Molecular Conformations, Interactions, and Properties Associated with Drug Efficiency and Clinical Performance Among Vegfr Tk Inhibitors. Proc.Natl.Acad.Sci.USA, 109, 2012
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1R3H
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![BU of 1r3h by Molmil](/molmil-images/mine/1r3h) | Crystal Structure of T10 | Descriptor: | Beta-2-microglobulin, MHC H2-TL-T10-129 | Authors: | Rudolph, M.G, Wilson, I.A. | Deposit date: | 2003-10-02 | Release date: | 2004-03-30 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Combined pseudo-merohedral twinning, non-crystallographic symmetry and pseudo-translation in a monoclinic crystal form of the gammadelta T-cell ligand T10. Acta Crystallogr.,Sect.D, 60, 2004
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4BDO
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![BU of 4bdo by Molmil](/molmil-images/mine/4bdo) | Crystal structure of the GluK2 K531A-T779G LBD dimer in complex with kainate | Descriptor: | 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, GLUTAMATE RECEPTOR, IONOTROPIC KAINATE 2, ... | Authors: | Nayeem, N, Mayans, O, Green, T. | Deposit date: | 2012-10-05 | Release date: | 2013-04-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Correlating Efficacy and Desensitization with Gluk2 Ligand-Binding Domain Movements. Open Biol., 3, 2013
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4BDR
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![BU of 4bdr by Molmil](/molmil-images/mine/4bdr) | Crystal structure of the GluK2 R775A LBD dimer in complex with kainate | Descriptor: | 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, CHLORIDE ION, GLUTAMATE RECEPTOR, ... | Authors: | Nayeem, N, Mayans, O, Green, T. | Deposit date: | 2012-10-05 | Release date: | 2013-04-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Correlating Efficacy and Desensitization with Gluk2 Ligand-Binding Domain Movements. Open Biol., 3, 2013
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4BAE
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![BU of 4bae by Molmil](/molmil-images/mine/4bae) | Optimisation of pyrroleamides as mycobacterial GyrB ATPase inhibitors: Structure Activity Relationship and in vivo efficacy in the mouse model of tuberculosis | Descriptor: | 2-[(3S,4R)-4-[(3-bromanyl-4-chloranyl-5-methyl-1H-pyrrol-2-yl)carbonylamino]-3-methoxy-piperidin-1-yl]-4-(2-methyl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxylic acid, CALCIUM ION, DNA GYRASE SUBUNIT B, ... | Authors: | Read, J.A, Gingell, H.G, Madhavapeddi, P. | Deposit date: | 2012-09-13 | Release date: | 2013-10-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Optimization of Pyrrolamides as Mycobacterial Gyrb ATPase Inhibitors: Structure Activity Relationship and in Vivo Efficacy in the Mouse Model of Tuberculosis. Antimicrob.Agents Chemother., 58, 2014
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4BDM
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![BU of 4bdm by Molmil](/molmil-images/mine/4bdm) | |
4BDQ
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![BU of 4bdq by Molmil](/molmil-images/mine/4bdq) | Crystal structure of the GluK2 R775A LBD dimer in complex with glutamate | Descriptor: | GLUTAMATE RECEPTOR, IONOTROPIC KAINATE 2, GLUTAMIC ACID, ... | Authors: | Nayeem, N, Mayans, O, Green, T. | Deposit date: | 2012-10-05 | Release date: | 2013-04-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Correlating Efficacy and Desensitization with Gluk2 Ligand-Binding Domain Movements. Open Biol., 3, 2013
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4BDN
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![BU of 4bdn by Molmil](/molmil-images/mine/4bdn) | Crystal structure of the GluK2 K531A-T779G LBD dimer in complex with glutamate | Descriptor: | GLUTAMATE RECEPTOR, IONOTROPIC KAINATE 2, GLUTAMIC ACID, ... | Authors: | Nayeem, N, Mayans, O, Green, T. | Deposit date: | 2012-10-05 | Release date: | 2013-04-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Correlating Efficacy and Desensitization with Gluk2 Ligand-Binding Domain Movements. Open Biol., 3, 2013
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5SV4
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![BU of 5sv4 by Molmil](/molmil-images/mine/5sv4) | Anti-Ricin A-chain Single Domain Antibody A3C8 | Descriptor: | SULFATE ION, Single Domain Antibody A3C8 | Authors: | Compton, J.R, Legler, P.M. | Deposit date: | 2016-08-04 | Release date: | 2016-10-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Stability of isolated antibody-antigen complexes as a predictive tool for selecting toxin neutralizing antibodies. MAbs, 9, 2017
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6I37
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![BU of 6i37 by Molmil](/molmil-images/mine/6i37) | Crystal structure of nv1Pizza6-AYW, a circularly permuted designer protein | Descriptor: | SULFATE ION, nv1Pizza6-AYW | Authors: | Mylemans, B, Noguchi, H, Deridder, E, Voet, A.R.D. | Deposit date: | 2018-11-05 | Release date: | 2019-11-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Influence of circular permutations on the structure and stability of a six-fold circular symmetric designer protein. Protein Sci., 2020
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6I39
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![BU of 6i39 by Molmil](/molmil-images/mine/6i39) | Crystal structure of v31Pizza6-AYW, a circularly permuted designer protein | Descriptor: | MAGNESIUM ION, v31Pizza6-AYW | Authors: | Mylemans, B, Noguchi, H, Deridder, E, Voet, A.R.D. | Deposit date: | 2018-11-05 | Release date: | 2019-11-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Influence of circular permutations on the structure and stability of a six-fold circular symmetric designer protein. Protein Sci., 2020
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1RFD
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![BU of 1rfd by Molmil](/molmil-images/mine/1rfd) | ANTI-COCAINE ANTIBODY M82G2 | Descriptor: | Fab M82G2, Heavy Chain, Light Chain | Authors: | Pozharski, E, Hewagama, A, Shanafelt, A.B, Petsko, G.A, Ringe, D. | Deposit date: | 2003-11-07 | Release date: | 2003-11-18 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Diversity in hapten recognition: structural study of an anti-cocaine antibody M82G2. J.Mol.Biol., 349, 2005
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6I38
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![BU of 6i38 by Molmil](/molmil-images/mine/6i38) | |
1RIH
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![BU of 1rih by Molmil](/molmil-images/mine/1rih) | Crystal Structure of Fab 14F7, a unique anti-tumor antibody specific for N-glycolyl GM3 | Descriptor: | heavy chain of antibody 14F7, light chain of antibody 14F7 | Authors: | Krengel, U, Olsson, L.-L, Martinez, C, Talavera, A, Rojas, G, Mier, E, Angstrom, J, Moreno, E. | Deposit date: | 2003-11-17 | Release date: | 2004-01-13 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure and Molecular Interactions of a Unique Antitumor Antibody Specific for N-Glycolyl GM3. J.Biol.Chem., 279, 2004
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5TOG
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![BU of 5tog by Molmil](/molmil-images/mine/5tog) | Room temperature structure of ubiquitin variant u7ub25.2540 | Descriptor: | Polyubiquitin-B, SULFATE ION | Authors: | Biel, J.T, Thompson, M.C, Cunningham, C.N, Corn, J.E, Fraser, J.S. | Deposit date: | 2016-10-17 | Release date: | 2017-05-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Flexibility and Design: Conformational Heterogeneity along the Evolutionary Trajectory of a Redesigned Ubiquitin. Structure, 25, 2017
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1RP1
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![BU of 1rp1 by Molmil](/molmil-images/mine/1rp1) | DOG PANCREATIC LIPASE RELATED PROTEIN 1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, PANCREATIC LIPASE RELATED PROTEIN 1 | Authors: | Roussel, A, Cambillau, C. | Deposit date: | 1998-04-02 | Release date: | 1998-06-17 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Reactivation of the totally inactive pancreatic lipase RP1 by structure-predicted point mutations. Proteins, 32, 1998
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1R8G
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![BU of 1r8g by Molmil](/molmil-images/mine/1r8g) | Structure and function of YbdK | Descriptor: | Hypothetical protein ybdK | Authors: | Lehmann, C, Doseeva, V, Pullalarevu, S, Krajewski, W, Howard, A, Herzberg, O, Structure 2 Function Project (S2F) | Deposit date: | 2003-10-24 | Release date: | 2004-08-17 | Last modified: | 2021-07-28 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | YbdK is a carboxylate-amine ligase with a gamma-glutamyl:Cysteine ligase activity: crystal structure and enzymatic assays PROTEINS: STRUCT.,FUNCT.,GENET., 56, 2004
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5U3E
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![BU of 5u3e by Molmil](/molmil-images/mine/5u3e) | Crystal Structure of Native Lectin from Canavalia bonariensis Seeds (CaBo) complexed with alpha-methyl-D-mannoside | Descriptor: | CALCIUM ION, Canavalia bonariensis seed lectin, MANGANESE (II) ION, ... | Authors: | Silva, M.T.L, Osterne, V.J.S, Pinto-Junior, V.R, Santiago, M.Q, Araripe, D.A, Neco, A.H.B, Silva-Filho, J.C, Martins, J.L, Rocha, C.R.C, Leal, R.B, Nascimento, K.S, Cavada, B.S. | Deposit date: | 2016-12-02 | Release date: | 2017-08-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Canavalia bonariensis lectin: Molecular bases of glycoconjugates interaction and antiglioma potential. Int. J. Biol. Macromol., 106, 2018
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8CYK
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![BU of 8cyk by Molmil](/molmil-images/mine/8cyk) | Crystal structure of hallucinated protein HALC1_878 | Descriptor: | HALC1_878 | Authors: | Ragotte, R.J, Bera, A.K, Milles, L.F, Wicky, B.I.M, Baker, D. | Deposit date: | 2022-05-23 | Release date: | 2022-09-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Robust deep learning-based protein sequence design using ProteinMPNN. Science, 378, 2022
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5SYA
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![BU of 5sya by Molmil](/molmil-images/mine/5sya) | |
5SY4
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![BU of 5sy4 by Molmil](/molmil-images/mine/5sy4) | |