3NSQ
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![BU of 3nsq by Molmil](/molmil-images/mine/3nsq) | Crystal structure of tetrameric RXRalpha-LBD complexed with antagonist danthron | Descriptor: | 1,8-dihydroxyanthracene-9,10-dione, Retinoid X receptor, alpha | Authors: | Zhang, H, Hu, T, Li, L, Zhou, R, Chen, L, Hu, L, Jiang, H, Shen, X. | Deposit date: | 2010-07-02 | Release date: | 2010-11-17 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Danthron functions as a retinoic X receptor antagonist by stabilizing tetramers of the receptor. J.Biol.Chem., 286, 2011
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3NN7
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![BU of 3nn7 by Molmil](/molmil-images/mine/3nn7) | Crystal structure of Thermolysin in complex with 2-bromoacetate | Descriptor: | CALCIUM ION, Thermolysin, ZINC ION, ... | Authors: | Behnen, J, Heine, A, Klebe, G. | Deposit date: | 2010-06-23 | Release date: | 2011-05-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Experimental and computational active site mapping as a starting point to fragment-based lead discovery. Chemmedchem, 7, 2012
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2VNZ
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![BU of 2vnz by Molmil](/molmil-images/mine/2vnz) | Crystal structure of dithinonite reduced soybean ascorbate peroxidase mutant W41A. | Descriptor: | ASCORBATE PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION | Authors: | Metcalfe, C.L, Badyal, S.K, Raven, E.L, Moody, P.C.E. | Deposit date: | 2008-02-08 | Release date: | 2008-04-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Iron Oxidation State Modulates Active Site Structure in a Heme Peroxidase. Biochemistry, 47, 2008
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1YAZ
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![BU of 1yaz by Molmil](/molmil-images/mine/1yaz) | AZIDE-BOUND YEAST CU(II)/ZN SUPEROXIDE DISMUTASE ROOM TEMPERATURE (298K) STRUCTURE | Descriptor: | AZIDE ION, COPPER (II) ION, PROTEIN (CU/ZN SUPEROXIDE DISMUTASE), ... | Authors: | Hart, P.J, Balbirnie, M.M, Ogihara, N.L, Nersissian, A.M, Weiss, M.S, Valentine, J.S, Eisenberg, D. | Deposit date: | 1998-12-23 | Release date: | 2000-01-12 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A structure-based mechanism for copper-zinc superoxide dismutase. Biochemistry, 38, 1999
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1YIP
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![BU of 1yip by Molmil](/molmil-images/mine/1yip) | Oxidized Peptidylglycine Alpha-Hydroxylating Monooxygenase (PHM) in a New Crystal Form | Descriptor: | COPPER (II) ION, Peptidyl-glycine alpha-amidating monooxygenase | Authors: | Siebert, X, Eipper, B.A, Mains, R.E, Prigge, S.T, Blackburn, N.J, Amzel, L.M. | Deposit date: | 2005-01-12 | Release date: | 2005-11-15 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Catalytic Copper of Peptidylglycine alpha-Hydroxylating Monooxygenase also Plays a Critical Structural Role. Biophys.J., 89, 2005
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3NY8
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![BU of 3ny8 by Molmil](/molmil-images/mine/3ny8) | Crystal structure of the human beta2 adrenergic receptor in complex with the inverse agonist ICI 118,551 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S,3S)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-[(1-methylethyl)amino]butan-2-ol, Beta-2 adrenergic receptor, ... | Authors: | Wacker, D, Fenalti, G, Brown, M.A, Katritch, V, Abagyan, R, Cherezov, V, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR) | Deposit date: | 2010-07-14 | Release date: | 2010-08-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Conserved Binding Mode of Human beta(2) Adrenergic Receptor Inverse Agonists and Antagonist Revealed by X-ray Crystallography J.Am.Chem.Soc., 132, 2010
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7SQ7
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![BU of 7sq7 by Molmil](/molmil-images/mine/7sq7) | Cryo-EM structure of mouse PI(3,5)P2-bound TRPML1 channel at 2.41 Angstrom resolution | Descriptor: | (2R)-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Mucolipin-1, ... | Authors: | Gan, N, Han, Y, Jiang, Y. | Deposit date: | 2021-11-04 | Release date: | 2022-02-02 | Last modified: | 2022-02-23 | Method: | ELECTRON MICROSCOPY (2.41 Å) | Cite: | Structural mechanism of allosteric activation of TRPML1 by PI(3,5)P 2 and rapamycin. Proc.Natl.Acad.Sci.USA, 119, 2022
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7SQ8
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![BU of 7sq8 by Molmil](/molmil-images/mine/7sq8) | Cryo-EM structure of mouse apo TRPML1 channel at 2.598 Angstrom resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Mucolipin-1, SODIUM ION | Authors: | Gan, N, Han, Y, Jiang, Y. | Deposit date: | 2021-11-04 | Release date: | 2022-02-02 | Last modified: | 2022-02-23 | Method: | ELECTRON MICROSCOPY (2.598 Å) | Cite: | Structural mechanism of allosteric activation of TRPML1 by PI(3,5)P 2 and rapamycin. Proc.Natl.Acad.Sci.USA, 119, 2022
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7SQ9
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![BU of 7sq9 by Molmil](/molmil-images/mine/7sq9) | Cryo-EM structure of mouse temsirolimus/PI(3,5)P2-bound TRPML1 channel at 2.11 Angstrom resolution | Descriptor: | (1R,2R,4S)-4-{(2R)-2-[(3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30S,34aS)-9,27-dihydroxy-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-1,5,11,28,29-pentaoxo-1,4,5,6,9,10,11,12,13,14,21,22,23,24,25,26,27,28,29,31,32,33,34,34a-tetracosahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontin-3-yl]propyl}-2-methoxycyclohexyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate, (2R)-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gan, N, Han, Y, Jiang, Y. | Deposit date: | 2021-11-04 | Release date: | 2022-02-02 | Last modified: | 2022-02-23 | Method: | ELECTRON MICROSCOPY (2.11 Å) | Cite: | Structural mechanism of allosteric activation of TRPML1 by PI(3,5)P 2 and rapamycin. Proc.Natl.Acad.Sci.USA, 119, 2022
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7SQ6
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![BU of 7sq6 by Molmil](/molmil-images/mine/7sq6) | Cryo-EM structure of mouse agonist ML-SA1-bound TRPML1 channel at 2.32 Angstrom resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-oxo-2-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl]ethyl}-1H-isoindole-1,3(2H)-dione, Mucolipin-1, ... | Authors: | Gan, N, Han, Y, Jiang, Y. | Deposit date: | 2021-11-04 | Release date: | 2022-02-02 | Last modified: | 2022-02-23 | Method: | ELECTRON MICROSCOPY (2.32 Å) | Cite: | Structural mechanism of allosteric activation of TRPML1 by PI(3,5)P 2 and rapamycin. Proc.Natl.Acad.Sci.USA, 119, 2022
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4W5J
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![BU of 4w5j by Molmil](/molmil-images/mine/4w5j) | |
2W6Z
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![BU of 2w6z by Molmil](/molmil-images/mine/2w6z) | |
2W6O
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![BU of 2w6o by Molmil](/molmil-images/mine/2w6o) | Crystal structure of Biotin carboxylase from E. coli in complex with 4-Amino-7,7-dimethyl-7,8-dihydro-quinazolinone fragment | Descriptor: | 4-amino-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one, BIOTIN CARBOXYLASE, CHLORIDE ION | Authors: | Mochalkin, I, Miller, J.R. | Deposit date: | 2008-12-18 | Release date: | 2009-05-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches. Acs Chem.Biol., 4, 2009
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2W6P
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2W6M
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![BU of 2w6m by Molmil](/molmil-images/mine/2w6m) | |
7PIU
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![BU of 7piu by Molmil](/molmil-images/mine/7piu) | Cryo-EM structure of the agonist setmelanotide bound to the active melanocortin-4 receptor (MC4R) in complex with the heterotrimeric Gs protein at 2.6 A resolution. | Descriptor: | CALCIUM ION, Camelid antibody fragment - nanobody 35, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Heyder, N.A, Schmidt, A, Kleinau, G, Hilal, T, Scheerer, P. | Deposit date: | 2021-08-23 | Release date: | 2021-11-17 | Method: | ELECTRON MICROSCOPY (2.58 Å) | Cite: | Structures of active melanocortin-4 receptor-Gs-protein complexes with NDP-alpha-MSH and setmelanotide. Cell Res., 31, 2021
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7PIV
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![BU of 7piv by Molmil](/molmil-images/mine/7piv) | Active Melanocortin-4 receptor (MC4R)- Gs protein complex bound to agonist NDP-alpha-MSH at 2.86 A resolution. | Descriptor: | CALCIUM ION, Camelid antibody VHH fragment - nanobody 35, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Heyder, N.A, Schmidt, A, Kleinau, G, Hilal, T, Scheerer, P. | Deposit date: | 2021-08-23 | Release date: | 2021-11-17 | Method: | ELECTRON MICROSCOPY (2.86 Å) | Cite: | Structures of active melanocortin-4 receptor-Gs-protein complexes with NDP-alpha-MSH and setmelanotide. Cell Res., 31, 2021
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3RN6
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![BU of 3rn6 by Molmil](/molmil-images/mine/3rn6) | Crystal structure of Cytosine Deaminase from Escherichia Coli complexed with zinc and isoguanine | Descriptor: | (2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2R)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol, 6-amino-3,7-dihydro-2H-purin-2-one, Cytosine deaminase, ... | Authors: | Fedorov, A.A, Fedorov, E.V, Hitchcock, D.S, Raushel, F.M, Almo, S.C. | Deposit date: | 2011-04-22 | Release date: | 2011-08-24 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.255 Å) | Cite: | Rescue of the orphan enzyme isoguanine deaminase. Biochemistry, 50, 2011
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3EWF
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![BU of 3ewf by Molmil](/molmil-images/mine/3ewf) | Crystal Structure Analysis of human HDAC8 H143A variant complexed with substrate. | Descriptor: | 7-AMINO-4-METHYL-CHROMEN-2-ONE, Histone deacetylase 8, PEPTIDIC SUBSTRATE, ... | Authors: | Dowling, D.P, Gantt, S.L, Gattis, S.G, Fierke, C.A, Christianson, D.W. | Deposit date: | 2008-10-14 | Release date: | 2008-12-30 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural studies of human histone deacetylase 8 and its site-specific variants complexed with substrate and inhibitors. Biochemistry, 47, 2008
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2VZ3
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![BU of 2vz3 by Molmil](/molmil-images/mine/2vz3) | bleached galactose oxidase | Descriptor: | ACETATE ION, COPPER (II) ION, GALACTOSE OXIDASE | Authors: | Rogers, M.S, Hurtado-Guerrero, R, Firbank, S.J, Halcrow, M.A, Dooley, D.M, Phillips, S.E.V, Knowles, P.F, McPherson, M.J. | Deposit date: | 2008-07-29 | Release date: | 2008-09-16 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Cross-Link Formation of the Cysteine 228-Tyrosine 272 Catalytic Cofactor of Galactose Oxidase Does not Require Dioxygen. Biochemistry, 47, 2008
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4WR7
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![BU of 4wr7 by Molmil](/molmil-images/mine/4wr7) | Crystal structure of human carbonic anhydrase isozyme I with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide. | Descriptor: | 1,2-ETHANEDIOL, 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide, ACETATE ION, ... | Authors: | Manakova, E, Smirnov, A, Grazulis, S. | Deposit date: | 2014-10-23 | Release date: | 2015-07-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Intrinsic thermodynamics of 4-substituted-2,3,5,6-tetrafluorobenzenesulfonamide binding to carbonic anhydrases by isothermal titration calorimetry. Biophys.Chem., 205, 2015
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4WUQ
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![BU of 4wuq by Molmil](/molmil-images/mine/4wuq) | Crystal structure of human carbonic anhydrase isozyme I with 2,3,5,6-Tetrafluoro-4-piperidin-1-ylbenzenesulfonamide | Descriptor: | 2,3,5,6-tetrafluoro-4-(piperidin-1-yl)benzenesulfonamide, Carbonic anhydrase 1, DI(HYDROXYETHYL)ETHER, ... | Authors: | Manakova, E, Smirnov, A, Grazulis, S. | Deposit date: | 2014-11-03 | Release date: | 2015-07-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Intrinsic thermodynamics of 4-substituted-2,3,5,6-tetrafluorobenzenesulfonamide binding to carbonic anhydrases by isothermal titration calorimetry. Biophys.Chem., 205, 2015
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4LNW
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![BU of 4lnw by Molmil](/molmil-images/mine/4lnw) | Crystal structure of TR-alpha bound to T3 in a second site | Descriptor: | 3,5,3'TRIIODOTHYRONINE, Thyroid hormone receptor alpha | Authors: | Puhl, A.C, Aparicio, R, Polikarpov, I. | Deposit date: | 2013-07-12 | Release date: | 2014-03-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Identification of a new hormone-binding site on the surface of thyroid hormone receptor. Mol.Endocrinol., 28, 2014
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4LNX
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![BU of 4lnx by Molmil](/molmil-images/mine/4lnx) | Crystal structure of TR-alpha bound to T4 in a second site | Descriptor: | 3,5,3',5'-TETRAIODO-L-THYRONINE, 3,5,3'TRIIODOTHYRONINE, Thyroid hormone receptor alpha | Authors: | Puhl, A.C, Aparicio, R, Polikarpov, I. | Deposit date: | 2013-07-12 | Release date: | 2014-03-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Identification of a new hormone-binding site on the surface of thyroid hormone receptor. Mol.Endocrinol., 28, 2014
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4W4Z
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![BU of 4w4z by Molmil](/molmil-images/mine/4w4z) | Structure of the EphA4 LBD in complex with peptide | Descriptor: | APY-bAla8.am peptide, Ephrin type-A receptor 4, GLYCEROL, ... | Authors: | Lechtenberg, B.C, Mace, P.D, Riedl, S.J. | Deposit date: | 2014-08-15 | Release date: | 2014-10-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Development and Structural Analysis of a Nanomolar Cyclic Peptide Antagonist for the EphA4 Receptor. Acs Chem.Biol., 9, 2014
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