6GHV
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![BU of 6ghv by Molmil](/molmil-images/mine/6ghv) | Structure of a DC-SIGN CRD in complex with high affinity glycomimetic. | Descriptor: | CALCIUM ION, CD209 antigen, CHLORIDE ION, ... | Authors: | Thepaut, M, Achilli, S, Medve, L, Bernardi, A, Fieschi, F. | Deposit date: | 2018-05-09 | Release date: | 2019-09-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Enhancing Potency and Selectivity of a DC-SIGN Glycomimetic Ligand by Fragment-Based Design: Structural Basis. Chemistry, 25, 2019
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4N33
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![BU of 4n33 by Molmil](/molmil-images/mine/4n33) | Structure of langerin CRD complexed with GlcNAc-beta1-3Gal-beta1-4Glc-beta-CH2CH2N3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, C-type lectin domain family 4 member K, ... | Authors: | Feinberg, H, Rowntree, T.J.W, Tan, S.L.W, Drickamer, K, Weis, W.I, Taylor, M.E. | Deposit date: | 2013-10-06 | Release date: | 2013-11-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Common polymorphisms in human langerin change specificity for glycan ligands. J.Biol.Chem., 288, 2013
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4A8G
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![BU of 4a8g by Molmil](/molmil-images/mine/4a8g) | |
3K6P
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![BU of 3k6p by Molmil](/molmil-images/mine/3k6p) | Estrogen Related Receptor alpha in Complex with an Ether Based Ligand | Descriptor: | 4-(4-{[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]methyl}-2-methoxyphenoxy)-3-(trifluoromethyl)benzonitrile, Steroid hormone receptor ERR1 | Authors: | Abad, M.C, Patch, R.J. | Deposit date: | 2009-10-09 | Release date: | 2010-10-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.996 Å) | Cite: | Development of Diaryl Ether based ligands for Estrogen Related Receptor alpha as Potential Anti-Diabetic Agents. To be Published
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4N32
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![BU of 4n32 by Molmil](/molmil-images/mine/4n32) | Structure of langerin CRD with alpha-Me-GlcNAc. | Descriptor: | C-type lectin domain family 4 member K, CALCIUM ION, methyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside | Authors: | Feinberg, H, Rowntree, T.J.W, Tan, S.L.W, Drickamer, K, Weis, W.I, Taylor, M.E. | Deposit date: | 2013-10-06 | Release date: | 2013-11-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Common polymorphisms in human langerin change specificity for glycan ligands. J.Biol.Chem., 288, 2013
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5JG5
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![BU of 5jg5 by Molmil](/molmil-images/mine/5jg5) | Human carbonic anhydrase II (V121T/F131Y) complexed with benzo[d]thiazole-2-sulfonamide | Descriptor: | 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M. | Deposit date: | 2016-04-19 | Release date: | 2017-01-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase. Angew. Chem. Int. Ed. Engl., 56, 2017
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5JGT
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![BU of 5jgt by Molmil](/molmil-images/mine/5jgt) | Human carbonic anhydrase II (F131Y/L198A) complexed with 1,3-thiazole-2-sulfonamide | Descriptor: | 1,3-thiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M. | Deposit date: | 2016-04-20 | Release date: | 2017-01-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase. Angew. Chem. Int. Ed. Engl., 56, 2017
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3MNP
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![BU of 3mnp by Molmil](/molmil-images/mine/3mnp) | Crystal structure of the agonist form of mouse glucocorticoid receptor stabilized by (A611V, V708A, E711G) mutations at 1.50A | Descriptor: | DEXAMETHASONE, GLYCEROL, Glucocorticoid receptor, ... | Authors: | Schoch, G.A, Seitz, T, Benz, J, Banner, D, Stihle, M, D'Arcy, B, Thoma, R, Sterner, R, Hennig, M, Ruf, A. | Deposit date: | 2010-04-22 | Release date: | 2010-09-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Enhancing the stability and solubility of the glucocorticoid receptor ligand-binding domain by high-throughput library screening. J.Mol.Biol., 403, 2010
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2VEB
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![BU of 2veb by Molmil](/molmil-images/mine/2veb) | High resolution structure of protoglobin from Methanosarcina acetivorans C2A | Descriptor: | GLYCEROL, OXYGEN MOLECULE, PHOSPHATE ION, ... | Authors: | Nardini, M, Pesce, A, Thijs, L, Saito, J.A, Dewilde, S, Alam, M, Ascenzi, P, Coletta, M, Ciaccio, C, Moens, L, Bolognesi, M. | Deposit date: | 2007-10-18 | Release date: | 2008-01-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Archaeal Protoglobin Structure Indicates New Ligand Diffusion Paths and Modulation of Haem-Reactivity. Embo Rep., 9, 2008
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4A8V
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![BU of 4a8v by Molmil](/molmil-images/mine/4a8v) | Crystal Structure of Birch Pollen Allergen Bet v 1 isoform j in complex with 8-Anilinonaphthalene-1-sulfonate (ANS) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 8-ANILINO-1-NAPHTHALENE SULFONATE, ... | Authors: | Kofler, S, Brandstetter, H. | Deposit date: | 2011-11-21 | Release date: | 2012-05-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Crystallographically Mapped Ligand Binding Differs in High and Low Ige Binding Isoforms of Birch Pollen Allergen Bet V 1. J.Mol.Biol., 422, 2012
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5DDC
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![BU of 5ddc by Molmil](/molmil-images/mine/5ddc) | Menin in complex with MI-2-3 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 6-(2,2,2-trifluoroethyl)-4-{4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}thieno[2,3-d]pyrimidine, DI(HYDROXYETHYL)ETHER, ... | Authors: | Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J. | Deposit date: | 2015-08-24 | Release date: | 2016-07-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes. J.Med.Chem., 58, 2015
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4N38
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![BU of 4n38 by Molmil](/molmil-images/mine/4n38) | Structure of langerin CRD I313 D288 complexed with GlcNAc-beta1-3Gal-beta1-4GlcNAc-beta-CH2CH2N3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose, C-type lectin domain family 4 member K, CALCIUM ION, ... | Authors: | Feinberg, H, Rowntree, T.J.W, Tan, S.L.W, Drickamer, K, Weis, W.I, Taylor, M.E. | Deposit date: | 2013-10-06 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Common polymorphisms in human langerin change specificity for glycan ligands. J.Biol.Chem., 288, 2013
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5JDV
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![BU of 5jdv by Molmil](/molmil-images/mine/5jdv) | Human carbonic anhydrase II (F131W) complexed with benzo[d]thiazole-2-sulfonamide | Descriptor: | 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M. | Deposit date: | 2016-04-17 | Release date: | 2017-01-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase. Angew. Chem. Int. Ed. Engl., 56, 2017
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8BHT
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![BU of 8bht by Molmil](/molmil-images/mine/8bht) | ABCG2 turnover-1 state with tariquidar bound | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Broad substrate specificity ATP-binding cassette transporter ABCG2, CHOLESTEROL, ... | Authors: | Yu, Q, Kowal, J, Tajkhorshid, E, Locher, K.P. | Deposit date: | 2022-10-31 | Release date: | 2023-01-11 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Differential dynamics and direct interaction of bound ligands with lipids in multidrug transporter ABCG2. Proc.Natl.Acad.Sci.USA, 120, 2023
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4EY8
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![BU of 4ey8 by Molmil](/molmil-images/mine/4ey8) | Crystal structure of recombinant human acetylcholinesterase in complex with fasciculin-2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, Fasciculin-2, ... | Authors: | Cheung, J, Rudolph, M, Burshteyn, F, Cassidy, M, Gary, E, Love, J, Height, J, Franklin, M. | Deposit date: | 2012-05-01 | Release date: | 2012-10-17 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.5958 Å) | Cite: | Structures of human acetylcholinesterase in complex with pharmacologically important ligands. J.Med.Chem., 55, 2012
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4N36
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![BU of 4n36 by Molmil](/molmil-images/mine/4n36) | Structure of langerin CRD I313 D288 complexed with Me-GlcNAc | Descriptor: | C-type lectin domain family 4 member K, CALCIUM ION, MAGNESIUM ION, ... | Authors: | Feinberg, H, Rowntree, T.J.W, Tan, S.L.W, Drickamer, K, Weis, W.I, Taylor, M.E. | Deposit date: | 2013-10-06 | Release date: | 2013-11-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Common polymorphisms in human langerin change specificity for glycan ligands. J.Biol.Chem., 288, 2013
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4EY6
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![BU of 4ey6 by Molmil](/molmil-images/mine/4ey6) | Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with (-)-galantamine | Descriptor: | (-)-GALANTHAMINE, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Cheung, J, Rudolph, M, Burshteyn, F, Cassidy, M, Gary, E, Love, J, Height, J, Franklin, M. | Deposit date: | 2012-05-01 | Release date: | 2012-10-17 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3983 Å) | Cite: | Structures of human acetylcholinesterase in complex with pharmacologically important ligands. J.Med.Chem., 55, 2012
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4N35
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![BU of 4n35 by Molmil](/molmil-images/mine/4n35) | Structure of langerin CRD I313 complexed with GlcNAc-beta1-3Gal-beta1-4Glc-beta-CH2CH2N3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, C-type lectin domain family 4 member K, ... | Authors: | Feinberg, H, Rowntree, T.J.W, Tan, S.L.W, Drickamer, K, Weis, W.I, Taylor, M.E. | Deposit date: | 2013-10-06 | Release date: | 2013-11-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Common polymorphisms in human langerin change specificity for glycan ligands. J.Biol.Chem., 288, 2013
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8BI0
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![BU of 8bi0 by Molmil](/molmil-images/mine/8bi0) | ABCG2 turnover-2 state with tariquidar bound | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Broad substrate specificity ATP-binding cassette transporter ABCG2, CHOLESTEROL, ... | Authors: | Yu, Q, Kowal, J, Tajkhorshid, E, Locher, K.P. | Deposit date: | 2022-11-01 | Release date: | 2023-01-11 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Differential dynamics and direct interaction of bound ligands with lipids in multidrug transporter ABCG2. Proc.Natl.Acad.Sci.USA, 120, 2023
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5DDA
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![BU of 5dda by Molmil](/molmil-images/mine/5dda) | Menin in complex with MI-333 | Descriptor: | 1,2-ETHANEDIOL, 4-{4-[5-(fluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine, DIMETHYL SULFOXIDE, ... | Authors: | Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J. | Deposit date: | 2015-08-24 | Release date: | 2015-09-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes. J.Med.Chem., 58, 2015
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2VEE
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![BU of 2vee by Molmil](/molmil-images/mine/2vee) | Structure of protoglobin from Methanosarcina acetivorans C2A | Descriptor: | PROTOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Nardini, M, Pesce, A, Thijs, L, Saito, J.A, Dewilde, S, Alam, M, Ascenzi, P, Coletta, M, Ciaccio, C, Moens, L, Bolognesi, M. | Deposit date: | 2007-10-22 | Release date: | 2008-01-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Archaeal Protoglobin Structure Indicates New Ligand Diffusion Paths and Modulation of Haem-Reactivity. Embo Rep., 9, 2008
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5DDF
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![BU of 5ddf by Molmil](/molmil-images/mine/5ddf) | Menin in complex with MI-273 | Descriptor: | 4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(pentafluoroethyl)thieno[2,3-d]pyrimidine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J. | Deposit date: | 2015-08-24 | Release date: | 2015-09-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes. J.Med.Chem., 58, 2015
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5D0I
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![BU of 5d0i by Molmil](/molmil-images/mine/5d0i) | Structure of RING finger protein 165 | Descriptor: | RING finger protein 165, SULFATE ION, ZINC ION | Authors: | Wright, J.D, Day, C.L, Mace, P.D. | Deposit date: | 2015-08-03 | Release date: | 2015-12-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Secondary ubiquitin-RING docking enhances Arkadia and Ark2C E3 ligase activity. Nat.Struct.Mol.Biol., 23, 2016
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2B5L
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![BU of 2b5l by Molmil](/molmil-images/mine/2b5l) | Crystal Structure of DDB1 In Complex with Simian Virus 5 V Protein | Descriptor: | Nonstructural protein V, ZINC ION, damage-specific DNA binding protein 1 | Authors: | Li, T, Chen, X, Garbutt, K.C, Zhou, P, Zheng, N. | Deposit date: | 2005-09-28 | Release date: | 2006-02-28 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structure of DDB1 in complex with a paramyxovirus V protein: viral hijack of a propeller cluster in ubiquitin ligase. Cell(Cambridge,Mass.), 124, 2006
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4B5N
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![BU of 4b5n by Molmil](/molmil-images/mine/4b5n) | Crystal structure of oxidized Shewanella Yellow Enzyme 4 (SYE4) | Descriptor: | FLAVIN MONONUCLEOTIDE, OXIDOREDUCTASE, FMN-BINDING, ... | Authors: | Elegheert, J, Brige, A, Savvides, S.N. | Deposit date: | 2012-08-07 | Release date: | 2013-08-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Structural dissection of Shewanella oneidensis old yellow enzyme 4 bound to a Meisenheimer complex and (nitro)phenolic ligands. FEBS Lett., 591, 2017
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