2OAX
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![BU of 2oax by Molmil](/molmil-images/mine/2oax) | Crystal structure of the S810L mutant mineralocorticoid receptor associated with SC9420 | Descriptor: | Mineralocorticoid receptor, SPIRONOLACTONE | Authors: | Huyet, J, Pinon, G.M, Fay, M.R, Rafestin-Oblin, M.E, Fagart, J. | Deposit date: | 2006-12-18 | Release date: | 2007-08-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Structural basis of spirolactone recognition by the mineralocorticoid receptor Mol.Pharmacol., 72, 2007
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4CDQ
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![BU of 4cdq by Molmil](/molmil-images/mine/4cdq) | Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor GPP2 | Descriptor: | 4-((5-(2-oxo-3-(pyridin-4-yl)imidazolidin-1-yl)pentyl)oxy)benzaldehyde O-ethyl oxime, SODIUM ION, VP1, ... | Authors: | DeColibus, L, Wang, X, Spyrou, J.A.B, Kelly, J, Ren, J, Grimes, J, Puerstinger, G, Stonehouse, N, Walter, T.S, Hu, Z, Wang, J, Li, X, Peng, W, Rowlands, D, Fry, E.E, Rao, Z, Stuart, D.I. | Deposit date: | 2013-11-05 | Release date: | 2014-02-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules Nat.Struct.Mol.Biol., 21, 2014
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3F75
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![BU of 3f75 by Molmil](/molmil-images/mine/3f75) | Activated Toxoplasma gondii cathepsin L (TgCPL) in complex with its propeptide | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, CHLORIDE ION, ... | Authors: | Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP) | Deposit date: | 2008-11-07 | Release date: | 2008-11-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Toxoplasma gondii cathepsin L is the primary target of the invasion-inhibitory compound morpholinurea-leucyl-homophenyl-vinyl sulfone phenyl. J.Biol.Chem., 284, 2009
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7FZ1
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![BU of 7fz1 by Molmil](/molmil-images/mine/7fz1) | Crystal Structure of human FABP4 in complex with 3-[(E)-anilino-(2-oxo-1H-indol-3-ylidene)methyl]sulfanylpropanoic acid | Descriptor: | 3-{[(E)-anilino(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]sulfanyl}propanoic acid, FORMIC ACID, Fatty acid-binding protein, ... | Authors: | Ehler, A, Benz, J, Obst, U, Mischke, S, Rudolph, M.G. | Deposit date: | 2023-04-27 | Release date: | 2023-06-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (0.99 Å) | Cite: | Crystal Structure of a human FABP4 complex To be published
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3ZK6
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![BU of 3zk6 by Molmil](/molmil-images/mine/3zk6) | Crystal structure of Bcl-xL in complex with inhibitor (Compound 2). | Descriptor: | BCL-2-LIKE PROTEIN 1, N-(3-(5-(1-(2-(benzo[d]thiazol-2-yl)hydrazono)ethyl)furan-2-yl)phenylsulfonyl)-6-phenylhexanamide | Authors: | Czabotar, P.E, Lessene, G.L, Smith, B.J, Colman, P.M. | Deposit date: | 2013-01-22 | Release date: | 2013-04-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Structure-Guided Design of a Selective Bcl-Xl Inhibitor Nat.Chem.Biol., 9, 2013
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5M3D
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![BU of 5m3d by Molmil](/molmil-images/mine/5m3d) | Structural tuning of CD81LEL (space group P31) | Descriptor: | 1,2-ETHANEDIOL, CD81 antigen, PHOSPHATE ION | Authors: | Cunha, E.S, Sfriso, P, Rojas, A.L, Roversi, P, Hospital, A, Orozco, M, Abrescia, N.G. | Deposit date: | 2016-10-14 | Release date: | 2016-12-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Mechanism of Structural Tuning of the Hepatitis C Virus Human Cellular Receptor CD81 Large Extracellular Loop. Structure, 25, 2017
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5TKQ
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![BU of 5tkq by Molmil](/molmil-images/mine/5tkq) | Crystal structure of human 3HAO with zinc bound in the active site | Descriptor: | 3-hydroxyanthranilate 3,4-dioxygenase, SULFATE ION, ZINC ION | Authors: | Pidugu, L.S, Toth, E.A. | Deposit date: | 2016-10-07 | Release date: | 2017-04-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structures of human 3-hydroxyanthranilate 3,4-dioxygenase with native and non-native metals bound in the active site. Acta Crystallogr D Struct Biol, 73, 2017
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4C1S
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![BU of 4c1s by Molmil](/molmil-images/mine/4c1s) | Glycoside hydrolase family 76 (mannosidase) Bt3792 from Bacteroides thetaiotaomicron VPI-5482 | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, GLYCOSIDE HYDROLASE FAMILY 76 MANNOSIDASE | Authors: | Cuskin, F, Lowe, E.C, Zhu, Y, Temple, M, Thompson, A.J, Cartmell, A, Piens, K, Bracke, D, Vervecken, W, Munoz-Munoz, J.L, Suits, M.D.L, Boraston, A.B, Williams, S.J, Davies, G.J, Abbott, W.D, Martens, E.C, Gilbert, H.J. | Deposit date: | 2013-08-13 | Release date: | 2013-11-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Human Gut Bacteroidetes Can Utilize Yeast Mannan Through a Selfish Mechanism. Nature, 517, 2015
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3FA2
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5TLO
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![BU of 5tlo by Molmil](/molmil-images/mine/5tlo) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with a Squaric Acid-linked Dimeric Estrogen | Descriptor: | (14beta,17alpha)-21-(4-aminophenyl)-19-norpregna-1(10),2,4-trien-20-yne-3,17-diol, Estrogen receptor, NUCLEAR RECEPTOR COACTIVATOR 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-10-11 | Release date: | 2017-01-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol, 24, 2017
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5TH9
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![BU of 5th9 by Molmil](/molmil-images/mine/5th9) | Structure determination of a potent, selective antibody inhibitor of human MMP9 (GS-5745 bound to MMP-9) | Descriptor: | CALCIUM ION, COBALT HEXAMMINE(III), GS-5745 Fab heavy chain, ... | Authors: | Appleby, T.C, Greenstein, A.E, Kwon, H.J. | Deposit date: | 2016-09-29 | Release date: | 2017-03-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.999 Å) | Cite: | Biochemical characterization and structure determination of a potent, selective antibody inhibitor of human MMP9. J. Biol. Chem., 292, 2017
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1T79
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![BU of 1t79 by Molmil](/molmil-images/mine/1t79) | Crystal structure of the androgen receptor ligand binding domain in complex with a FxxLW motif | Descriptor: | 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, FxxLW motif peptide | Authors: | Hur, E, Pfaff, S.J, Payne, E.S, Gron, H, Buehrer, B.M, Fletterick, R.J. | Deposit date: | 2004-05-08 | Release date: | 2004-08-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Recognition and accommodation at the androgen receptor coactivator binding interface. Plos Biol., 2, 2004
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1OAG
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![BU of 1oag by Molmil](/molmil-images/mine/1oag) | |
5FIJ
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![BU of 5fij by Molmil](/molmil-images/mine/5fij) | Bovine mitochondrial ATP synthase state 2c | Descriptor: | ATP SYNTHASE F(0) COMPLEX SUBUNIT B1, MITOCHONDRIAL, ATP SYNTHASE F(0) COMPLEX SUBUNIT C1, ... | Authors: | Zhou, A, Rohou, A, Schep, D.G, Bason, J.V, Montgomery, M.G, Walker, J.E, Grigorieff, N, Rubinstein, J.L. | Deposit date: | 2015-09-28 | Release date: | 2015-10-14 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (7.4 Å) | Cite: | Structure and conformational states of the bovine mitochondrial ATP synthase by cryo-EM. Elife, 4, 2015
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5TLD
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![BU of 5tld by Molmil](/molmil-images/mine/5tld) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the phenylamino-substituted estrogen, (8R,9S,13S,14S,17S)-13-methyl-17-(phenylamino)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-ol | Descriptor: | (8~{R},9~{S},13~{S},14~{S},17~{S})-13-methyl-17-phenylazanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol, Estrogen receptor, NUCLEAR RECEPTOR COACTIVATOR 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-10-11 | Release date: | 2017-01-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.375 Å) | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol, 24, 2017
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1ODK
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![BU of 1odk by Molmil](/molmil-images/mine/1odk) | |
5FS0
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![BU of 5fs0 by Molmil](/molmil-images/mine/5fs0) | |
5YMR
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![BU of 5ymr by Molmil](/molmil-images/mine/5ymr) | The Crystal Structure of IseG | Descriptor: | 2-hydroxyethylsulfonic acid, Formate acetyltransferase, GLYCEROL | Authors: | Lin, L, Zhang, J, Xing, M, Hua, G, Guo, C, Hu, Y, Wei, Y, Ang, E, Zhao, H, Zhang, Y, Yuchi, Z. | Deposit date: | 2017-10-22 | Release date: | 2019-03-20 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Radical-mediated C-S bond cleavage in C2 sulfonate degradation by anaerobic bacteria. Nat Commun, 10, 2019
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2OJ6
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5MI6
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![BU of 5mi6 by Molmil](/molmil-images/mine/5mi6) | BtGH84 mutant with covalent modification by MA3 in complex with Thiamet G | Descriptor: | (3AR,5R,6S,7R,7AR)-2-(ETHYLAMINO)-5-(HYDROXYMETHYL)-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]THIAZOLE-6,7-DIOL, 1,2-ETHANEDIOL, CALCIUM ION, ... | Authors: | Darby, J.F, Davies, G.J, Hubbard, R.E. | Deposit date: | 2016-11-27 | Release date: | 2017-11-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Increase of enzyme activity through specific covalent modification with fragments. Chem Sci, 8, 2017
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3JWO
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![BU of 3jwo by Molmil](/molmil-images/mine/3jwo) | Structure of HIV-1 gp120 with gp41-Interactive Region: Layered Architecture and Basis of Conformational Mobility | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FAB 48D Heavy CHAIN, FAB 48D LIGHT CHAIN, ... | Authors: | Pancera, M, Majeed, S, Huang, C.C, Kwon, Y.D, Zhou, T, Robinson, J.E, Sodroski, J, Wyatt, R, Kwong, P.D. | Deposit date: | 2009-09-18 | Release date: | 2009-12-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.51 Å) | Cite: | Structure of HIV-1 gp120 with gp41-interactive region reveals layered envelope architecture and basis of conformational mobility. Proc.Natl.Acad.Sci.USA, 107, 2010
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3ZET
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![BU of 3zet by Molmil](/molmil-images/mine/3zet) | Structure of a Salmonella typhimurium YgjD-YeaZ heterodimer. | Descriptor: | ADENOSINE MONOPHOSPHATE, CADMIUM ION, PROBABLE TRNA THREONYLCARBAMOYLADENOSINE BIOSYNTHESIS PROTEIN GCP, ... | Authors: | Nichols, C.E, Lamb, H.K, Thompson, P, El Omari, K, Lockyer, M, Charles, I, Hawkins, A.R, Stammers, D.K. | Deposit date: | 2012-12-07 | Release date: | 2013-03-20 | Last modified: | 2013-05-08 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Crystal Structure of the Dimer of Two Essential Salmonella Typhimurium Proteins, Ygjd & Yeaz and Calorimetric Evidence for the Formation of a Ternary Ygjd-Yeaz-Yjee Complex. Protein Sci., 22, 2013
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5MSK
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![BU of 5msk by Molmil](/molmil-images/mine/5msk) | Mouse PA28beta | Descriptor: | Proteasome activator complex subunit 2 | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2017-01-05 | Release date: | 2017-09-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | The Mammalian Proteasome Activator PA28 Forms an Asymmetric alpha 4 beta 3 Complex. Structure, 25, 2017
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4ITY
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![BU of 4ity by Molmil](/molmil-images/mine/4ity) | Crystal structure of Leishmania mexicana arginase | Descriptor: | Arginase, GLYCEROL, MANGANESE (II) ION | Authors: | D'Antonio, E.L, Ullman, B, Roberts, S.C, Gaur Dixit, U, Wilson, M.E, Hai, Y, Christianson, D.W. | Deposit date: | 2013-01-19 | Release date: | 2013-01-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of arginase from Leishmania mexicana and implications for the inhibition of polyamine biosynthesis in parasitic infections. Arch.Biochem.Biophys., 535, 2013
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2NXM
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![BU of 2nxm by Molmil](/molmil-images/mine/2nxm) | |