3MNO
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![BU of 3mno by Molmil](/molmil-images/mine/3mno) | Crystal structure of the agonist form of mouse glucocorticoid receptor stabilized by (A611V, F608S) mutations at 1.55A | 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 (1.55 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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1VK8
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![BU of 1vk8 by Molmil](/molmil-images/mine/1vk8) | |
3I7P
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![BU of 3i7p by Molmil](/molmil-images/mine/3i7p) | Crystal Structure of DDB1 in Complex with the H-Box Motif of WDR40A | Descriptor: | DNA damage-binding protein 1, WD repeat-containing protein 40A | Authors: | Li, T, Robert, E.I, Breugel, P.C.V, Strubin, M, Zheng, N. | Deposit date: | 2009-07-08 | Release date: | 2009-12-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A promiscuous alpha-helical motif anchors viral hijackers and substrate receptors to the CUL4-DDB1 ubiquitin ligase machinery. Nat.Struct.Mol.Biol., 17, 2010
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6QDI
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![BU of 6qdi by Molmil](/molmil-images/mine/6qdi) | anti-sigma factor domain-containing protein from Clostridium clariflavum | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, PA14 domain-containing protein | Authors: | Voronov, M, Bayer, E.A, Livnah, O. | Deposit date: | 2019-01-01 | Release date: | 2019-06-12 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Distinctive ligand-binding specificities of tandem PA14 biomass-sensory elements from Clostridium thermocellum and Clostridium clariflavum. Proteins, 87, 2019
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8DPR
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![BU of 8dpr by Molmil](/molmil-images/mine/8dpr) | Crystal structure of SARS-CoV-2 main protease in complex with inhibitor TKB-248 | Descriptor: | 2,2,2-trifluoro-N-{(2S)-1-[(1R,2S,5S)-2-({(2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamothioyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl}acetamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ... | Authors: | Bulut, H, Hayashi, H, Tsuji, K, Kuwata, N, Das, D, Tamamura, H, Mitsuya, H. | Deposit date: | 2022-07-16 | Release date: | 2022-08-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification of SARS-CoV-2 M pro inhibitors containing P1' 4-fluorobenzothiazole moiety highly active against SARS-CoV-2. Nat Commun, 14, 2023
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6QE7
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![BU of 6qe7 by Molmil](/molmil-images/mine/6qe7) | anti-sigma factor domain-containing protein | Descriptor: | Anti-sigma-I factor RsgI3, CALCIUM ION | Authors: | Voronov, M, Livnah, O, Bayer, E.A. | Deposit date: | 2019-01-07 | Release date: | 2019-06-12 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Distinctive ligand-binding specificities of tandem PA14 biomass-sensory elements from Clostridium thermocellum and Clostridium clariflavum. Proteins, 87, 2019
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1UXX
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![BU of 1uxx by Molmil](/molmil-images/mine/1uxx) | CBM6ct from Clostridium thermocellum in complex with xylopentaose | Descriptor: | CALCIUM ION, XYLANASE U, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose | Authors: | Czjzek, M, Pires, V.M.R, Henshaw, J, Prates, J.A.M, Henrissat, D.B.B, Gilbert, H.J. | Deposit date: | 2004-03-01 | Release date: | 2004-03-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Crystal Structure of the Family 6 Carbohydrate Binding Module from Cellvibrio Mixtus Endoglucanase 5A in Complex with Oligosaccharides Reveals Two Distinct Binding Sites with Different Ligand Specificities J.Biol.Chem., 279, 2004
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1UYY
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![BU of 1uyy by Molmil](/molmil-images/mine/1uyy) | Carbohydrate binding module (CBM6cm-2) from Cellvibrio mixtus lichenase 5A in complex with cellotriose | Descriptor: | CALCIUM ION, CELLULASE B, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, ... | Authors: | Czjzek, M, Pires, V.M.R, Henshaw, J, Prates, J.A.M, Bolam, D, Henrissat, B, Gilbert, H.J. | Deposit date: | 2004-03-03 | Release date: | 2004-03-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | The Crystal Structure of the Family 6 Carbohydrate Binding Module from Cellvibrio Mixtus Endoglucanase 5A in Complex with Oligosaccharides Reveals Two Distinct Binding Sites with Different Ligand Specificities J.Biol.Chem., 279, 2004
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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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6TFG
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4WQP
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![BU of 4wqp by Molmil](/molmil-images/mine/4wqp) | |
6TF1
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6TFF
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![BU of 6tff by Molmil](/molmil-images/mine/6tff) | |
5PZN
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![BU of 5pzn by Molmil](/molmil-images/mine/5pzn) | |
5PZO
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![BU of 5pzo by Molmil](/molmil-images/mine/5pzo) | CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS NS5B RNA-DEPENDENT RNA POLYMERASE C316N IN COMPLEX WITH 2-(4-FLUOROPHENYL)-N-METHYL-5-[3-({2-METHYL-1-OXO-1-[(1,3,4-THIADIAZOL-2-YL)AMINO]PROPAN-2-YL}CARBAMOYL)PHENYL]-1-BENZOFURAN-3-CARBOXAMIDE | Descriptor: | (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid, 2-(4-fluorophenyl)-N-methyl-5-[3-({2-methyl-1-oxo-1-[(1,3,4-thiadiazol-2-yl)amino]propan-2-yl}carbamoyl)phenyl]-1-benzofuran-3-carboxamide, GLYCEROL, ... | Authors: | Sheriff, S. | Deposit date: | 2017-02-27 | Release date: | 2017-05-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of a Hepatitis C Virus NS5B Replicase Palm Site Allosteric Inhibitor (BMS-929075) Advanced to Phase 1 Clinical Studies. J. Med. Chem., 60, 2017
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6TF0
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![BU of 6tf0 by Molmil](/molmil-images/mine/6tf0) | Crystal structure of the ADP-binding domain of the NAD+ riboswitch with Nicotinamide adenine dinucleotide, reduced (NADH) | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Chains: A, MAGNESIUM ION, ... | Authors: | Huang, L, Lilley, D.M.J. | Deposit date: | 2019-11-12 | Release date: | 2020-09-23 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure and ligand binding of the ADP-binding domain of the NAD+ riboswitch. Rna, 26, 2020
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6TF3
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6TFE
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![BU of 6tfe by Molmil](/molmil-images/mine/6tfe) | |
1DJR
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![BU of 1djr by Molmil](/molmil-images/mine/1djr) | HEAT-LABILE ENTEROTOXIN B-PENTAMER COMPLEXED WITH M-CARBOXYPHENYL-ALPHA-D-GALACTOSE | Descriptor: | BENZOIC ACID, GLYCEROL, HEAT-LABILE ENTEROTOXIN, ... | Authors: | Minke, W.E, Pickens, J, Merritt, E.A, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | Deposit date: | 1999-12-03 | Release date: | 2000-06-30 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure of m-carboxyphenyl-alpha-D-galactopyranoside complexed to heat-labile enterotoxin at 1.3 A resolution: surprising variations in ligand-binding modes. Acta Crystallogr.,Sect.D, 56, 2000
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4MJO
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![BU of 4mjo by Molmil](/molmil-images/mine/4mjo) | Human liver fructose-1,6-bisphosphatase(d-fructose-1,6-bisphosphate, 1-phosphohydrolase) (e.c.3.1.3.11) complexed with the allosteric inhibitor 3 | Descriptor: | Fructose-1,6-bisphosphatase 1, N-({4-bromo-6-[(methylcarbamoyl)amino]pyridin-2-yl}carbamoyl)-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide | Authors: | Ruf, A, Joseph, C, Tetaz, T, Benz, J. | Deposit date: | 2013-09-04 | Release date: | 2013-11-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Determination of protein-ligand binding constants of a cooperatively regulated tetrameric enzyme using electrospray mass spectrometry. Acs Chem.Biol., 9, 2014
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2NV7
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![BU of 2nv7 by Molmil](/molmil-images/mine/2nv7) | Crystal Structure of Estrogen Receptor Beta Complexed with WAY-555 | Descriptor: | 4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME, Estrogen receptor beta, Nuclear receptor coactivator 1 | Authors: | Mewshaw, R.E, Bowen, M.S, Harris, H.A, Xu, Z.B, Manas, E.S, Cohn, S.T, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2006-11-10 | Release date: | 2007-08-21 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | ERbeta ligands. Part 5: synthesis and structure-activity relationships of a series of 4'-hydroxyphenyl-aryl-carbaldehyde oxime derivatives. Bioorg.Med.Chem.Lett., 17, 2007
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6TB7
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![BU of 6tb7 by Molmil](/molmil-images/mine/6tb7) | |
3NY1
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![BU of 3ny1 by Molmil](/molmil-images/mine/3ny1) | Structure of the ubr-box of the UBR1 ubiquitin ligase | Descriptor: | E3 ubiquitin-protein ligase UBR1, ZINC ION | Authors: | Matta-Camacho, E, Kozlov, G, Li, F, Gehring, K. | Deposit date: | 2010-07-14 | Release date: | 2010-08-11 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.085 Å) | Cite: | Structural basis of substrate recognition and specificity in the N-end rule pathway. Nat.Struct.Mol.Biol., 17, 2010
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6TF2
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7UF9
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![BU of 7uf9 by Molmil](/molmil-images/mine/7uf9) | CYP3A4 bound to an inhibitor | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-4-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate | Authors: | Sevrioukova, I. | Deposit date: | 2022-03-22 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Interaction of CYP3A4 with Rationally Designed Ritonavir Analogues: Impact of Steric Constraints Imposed on the Heme-Ligating Group and the End-Pyridine Attachment. Int J Mol Sci, 23, 2022
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