1B58
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1B52
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1B5I
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3TLU
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![BU of 3tlu by Molmil](/molmil-images/mine/3tlu) | The GLIC pentameric Ligand-Gated Ion Channel Loop2-24' oxidized mutant in a locally-closed conformation (LC1 subtype) | Descriptor: | CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, Glr4197 protein | Authors: | Sauguet, L, Nury, H, Corringer, P.J, Delarue, M. | Deposit date: | 2011-08-30 | Release date: | 2012-05-16 | Last modified: | 2012-06-27 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | A locally closed conformation of a bacterial pentameric proton-gated ion channel. Nat.Struct.Mol.Biol., 19, 2012
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3TLW
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![BU of 3tlw by Molmil](/molmil-images/mine/3tlw) | The GLIC pentameric Ligand-Gated Ion Channel Loop2-21' oxidized mutant in a locally-closed conformation (LC2 subtype) | Descriptor: | CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, Glr4197 protein | Authors: | Sauguet, L, Nury, H, Corringer, P.J, Delarue, M. | Deposit date: | 2011-08-30 | Release date: | 2012-05-16 | Last modified: | 2012-06-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A locally closed conformation of a bacterial pentameric proton-gated ion channel. Nat.Struct.Mol.Biol., 19, 2012
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1PXD
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![BU of 1pxd by Molmil](/molmil-images/mine/1pxd) | Crystal structure of the complex of jacalin with meso-tetrasulphonatophenylporphyrin. | Descriptor: | 5,10,15,20-TETRAKIS(4-SULPFONATOPHENYL)-21H,23H-PORPHINE, Agglutinin alpha chain, Agglutinin beta-3 chain | Authors: | Goel, M, Anuradha, P, Kaur, K.J, Maiya, B.G, Swamy, M.J, Salunke, D.M. | Deposit date: | 2003-07-03 | Release date: | 2004-02-03 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Porphyrin binding to jacalin is facilitated by the inherent plasticity of the carbohydrate-binding site: novel mode of lectin-ligand interaction. Acta Crystallogr.,Sect.D, 60, 2004
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6D6M
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6D6A
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3SZ1
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![BU of 3sz1 by Molmil](/molmil-images/mine/3sz1) | Human PPAR gamma ligand binding domain in complex with luteolin and myristic acid | Descriptor: | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, MYRISTIC ACID, Peroxisome proliferator-activated receptor gamma, ... | Authors: | Puhl, A.C, Bernardes, A, Polikarpov, I. | Deposit date: | 2011-07-18 | Release date: | 2012-03-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Mode of peroxisome proliferator-activated receptor gamma activation by luteolin. Mol.Pharmacol., 81, 2012
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7Y7A
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![BU of 7y7a by Molmil](/molmil-images/mine/7y7a) | In situ double-PBS-PSII-PSI-LHCs megacomplex from Porphyridium purpureum. | Descriptor: | (1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol, (2S)-2,3-dihydroxypropyl octadecanoate, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | Authors: | You, X, Zhang, X, Cheng, J, Xiao, Y.N, Sun, S, Sui, S.F. | Deposit date: | 2022-06-22 | Release date: | 2023-02-08 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | In situ structure of the red algal phycobilisome-PSII-PSI-LHC megacomplex. Nature, 616, 2023
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7Y5E
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![BU of 7y5e by Molmil](/molmil-images/mine/7y5e) | In situ single-PBS-PSII-PSI-LHCs megacomplex. | Descriptor: | (1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol, (2S)-2,3-dihydroxypropyl octadecanoate, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | Authors: | You, X, Zhang, X, Cheng, J, Xiao, Y.N, Sui, S.F. | Deposit date: | 2022-06-17 | Release date: | 2023-02-01 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | In situ structure of the red algal phycobilisome-PSII-PSI-LHC megacomplex. Nature, 616, 2023
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2PL0
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![BU of 2pl0 by Molmil](/molmil-images/mine/2pl0) | LCK bound to imatinib | Descriptor: | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, Proto-oncogene tyrosine-protein kinase LCK | Authors: | Jacobs, M.D. | Deposit date: | 2007-04-18 | Release date: | 2007-10-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Classifying protein kinase structures guides use of ligand-selectivity profiles to predict inactive conformations: Structure of lck/imatinib complex. Proteins, 70, 2007
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4ZSB
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4ZS8
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![BU of 4zs8 by Molmil](/molmil-images/mine/4zs8) | Crystal structure of ligand-free, full length DasR | Descriptor: | 1,2-ETHANEDIOL, HTH-type transcriptional repressor DasR | Authors: | Fillenberg, S.B, Muller, Y.A. | Deposit date: | 2015-05-13 | Release date: | 2016-06-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structures of the Global Regulator DasR from Streptomyces coelicolor: Implications for the Allosteric Regulation of GntR/HutC Repressors. Plos One, 11, 2016
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6L93
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3SX4
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![BU of 3sx4 by Molmil](/molmil-images/mine/3sx4) | Crystal structure of human dpp-iv in complex with sa-(+)-3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)- 2-methyl-5h-pyrrolo[3,4-b]pyridin-7(6h)-one | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)-2-methyl-5,6-dihydro-7H-pyrrolo[3,4-b]pyridin-7-one, ... | Authors: | Klei, H.E. | Deposit date: | 2011-07-14 | Release date: | 2011-10-26 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | 7-Oxopyrrolopyridine-derived DPP4 inhibitors-mitigation of CYP and hERG liabilities via introduction of polar functionalities in the active site. Bioorg.Med.Chem.Lett., 21, 2011
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4ZFP
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1UVT
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![BU of 1uvt by Molmil](/molmil-images/mine/1uvt) | BOVINE THROMBIN--BM14.1248 COMPLEX | Descriptor: | N-{3-METHYL-5-[2-(PYRIDIN-4-YLAMINO)-ETHOXY]-PHENYL}-BENZENESULFONAMIDE, THROMBIN | Authors: | Engh, R.A, Huber, R. | Deposit date: | 1996-10-16 | Release date: | 1997-11-19 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Enzyme flexibility, solvent and 'weak' interactions characterize thrombin-ligand interactions: implications for drug design. Structure, 4, 1996
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1UVS
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![BU of 1uvs by Molmil](/molmil-images/mine/1uvs) | BOVINE THROMBIN--BM51.1011 COMPLEX | Descriptor: | THROMBIN, [[CYCLOHEXANESULFONYL-GLYCYL]-3[PYRIDIN-4-YL-AMINOMETHYL]ALANYL]PIPERIDINE | Authors: | Engh, R.A, Huber, R. | Deposit date: | 1996-10-16 | Release date: | 1997-11-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Enzyme flexibility, solvent and 'weak' interactions characterize thrombin-ligand interactions: implications for drug design. Structure, 4, 1996
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5FPN
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![BU of 5fpn by Molmil](/molmil-images/mine/5fpn) | Structure of heat shock-related 70kDA protein 2 with small-molecule ligand 3,5-dimethyl-1H-pyrazole-4-carboxylic acid (AT9084) in an alternate binding site. | Descriptor: | 3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID, HEAT SHOCK-RELATED 70 KDA PROTEIN 2 | Authors: | Jhoti, H, Ludlow, R.F, Patel, S, Saini, H.K, Tickle, I.J, Verdonk, M. | Deposit date: | 2015-12-02 | Release date: | 2015-12-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Detection of Secondary Binding Sites in Proteins Using Fragment Screening. Proc.Natl.Acad.Sci.USA, 112, 2015
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5FPE
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![BU of 5fpe by Molmil](/molmil-images/mine/5fpe) | Structure of heat shock-related 70kDA protein 2 with small-molecule ligand 1H-1,2,4-triazol-3-amine (AT485) in an alternate binding site. | Descriptor: | 3-AMINO-1,2,4-TRIAZOLE, HEAT SHOCK-RELATED 70KDA PROTEIN 2 | Authors: | Jhoti, H, Ludlow, R.F, Patel, S, Saini, H.K, Tickle, I.J, Verdonk, M. | Deposit date: | 2015-11-28 | Release date: | 2015-12-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Detection of Secondary Binding Sites in Proteins Using Fragment Screening. Proc.Natl.Acad.Sci.USA, 112, 2015
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5FPM
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![BU of 5fpm by Molmil](/molmil-images/mine/5fpm) | Structure of heat shock-related 70kDA protein 2 with small-molecule ligand 5-phenyl-1,3,4-oxadiazole-2-thiol (AT809) in an alternate binding site. | Descriptor: | 5-PHENYL-1,3,4-OXADIAZOLE-2-THIOL, HEAT SHOCK-RELATED 70KDA PROTEIN 2 | Authors: | Jhoti, H, Ludlow, R.F, Patel, S, Saini, H.K, Tickle, I.J, Verdonk, M. | Deposit date: | 2015-12-02 | Release date: | 2015-12-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Detection of Secondary Binding Sites in Proteins Using Fragment Screening. Proc.Natl.Acad.Sci.USA, 112, 2015
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7JG1
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![BU of 7jg1 by Molmil](/molmil-images/mine/7jg1) | Dimeric Immunoglobin A (dIgA) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Igh protein, ... | Authors: | Kumar Bharathkar, S, Parker, B.P, Malyutin, A.G, Stadtmueller, B.M. | Deposit date: | 2020-07-18 | Release date: | 2020-11-11 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | The structures of Secretory and dimeric Immunoglobulin A. Elife, 9, 2020
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7JG2
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![BU of 7jg2 by Molmil](/molmil-images/mine/7jg2) | Secretory Immunoglobin A (SIgA) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Igh protein, ... | Authors: | Kumar Bharathkar, S, Parker, B.P, Malyutin, A.G, Stadtmueller, B.M. | Deposit date: | 2020-07-18 | Release date: | 2020-11-11 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | The structures of Secretory and dimeric Immunoglobulin A. Elife, 9, 2020
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5FPD
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![BU of 5fpd by Molmil](/molmil-images/mine/5fpd) | Structure of heat shock-related 70kDA protein 2 with small-molecule ligand pyrazine-2-carboxamide (AT513) in an alternate binding site. | Descriptor: | HEAT SHOCK-RELATED 70KDA PROTEIN 2, PYRAZINE-2-CARBOXAMIDE | Authors: | Jhoti, H, Ludlow, R.F, Patel, S, Saini, H.K, Tickle, I.J, Verdonk, M. | Deposit date: | 2015-11-28 | Release date: | 2015-12-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Detection of Secondary Binding Sites in Proteins Using Fragment Screening. Proc.Natl.Acad.Sci.USA, 112, 2015
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