4OYX
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![BU of 4oyx by Molmil](/molmil-images/mine/4oyx) | Human solAC Complexed with AMPCPP | Descriptor: | Adenylate cyclase type 10, CALCIUM ION, CHLORIDE ION, ... | Authors: | Vinkovic, M. | Deposit date: | 2014-02-13 | Release date: | 2014-04-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket. Chemmedchem, 9, 2014
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4OYP
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![BU of 4oyp by Molmil](/molmil-images/mine/4oyp) | Human solAC Complexed with 1-Benzofuran-2-carboxylic acid | Descriptor: | 1-benzofuran-2-carboxylic acid, Adenylate cyclase type 10, CHLORIDE ION | Authors: | Vinkovic, M. | Deposit date: | 2014-02-12 | Release date: | 2014-04-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket. Chemmedchem, 9, 2014
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4OZ2
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![BU of 4oz2 by Molmil](/molmil-images/mine/4oz2) | Human solAC Complexed with 4-(4-Fluorophenyl)-3-methyl-1H-pyrazole | Descriptor: | 4-(4-fluorophenyl)-3-methyl-1H-pyrazole, Adenylate cyclase type 10, CHLORIDE ION, ... | Authors: | Vinkovic, M. | Deposit date: | 2014-02-13 | Release date: | 2014-04-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket. Chemmedchem, 9, 2014
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6LDD
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![BU of 6ldd by Molmil](/molmil-images/mine/6ldd) | Structure of Bifidobacterium dentium beta-glucuronidase complexed with C6-propyl uronic isofagomine | Descriptor: | (2~{S},3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)-2-propyl-piperidine-3-carboxylic acid, LacZ1 Beta-galactosidase | Authors: | Lin, H.-Y, Hsieh, T.-J, Lin, C.-H. | Deposit date: | 2019-11-20 | Release date: | 2021-01-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.205 Å) | Cite: | Entropy-driven binding of gut bacterial beta-glucuronidase inhibitors ameliorates irinotecan-induced toxicity. Commun Biol, 4, 2021
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6LEJ
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![BU of 6lej by Molmil](/molmil-images/mine/6lej) | Structure of E. coli beta-glucuronidase complex with C6-propyl uronic isofagomine | Descriptor: | (2~{S},3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)-2-propyl-piperidine-3-carboxylic acid, Beta-D-glucuronidase | Authors: | Lin, H.-Y, Kuo, Y.-H, Lin, C.-H. | Deposit date: | 2019-11-25 | Release date: | 2021-01-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.617 Å) | Cite: | Entropy-driven binding of gut bacterial beta-glucuronidase inhibitors ameliorates irinotecan-induced toxicity. Commun Biol, 4, 2021
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6LEL
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![BU of 6lel by Molmil](/molmil-images/mine/6lel) | Structure of E. coli beta-glucuronidase complex with C6-hexyl uronic isofagomine | Descriptor: | (2~{S},3~{S},4~{R},5~{R})-2-hexyl-4,5-bis(oxidanyl)piperidine-3-carboxylic acid, Beta-D-glucuronidase | Authors: | Lin, H.-Y, Kuo, Y.-H, Lin, C.-H. | Deposit date: | 2019-11-25 | Release date: | 2021-01-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.498 Å) | Cite: | Entropy-driven binding of gut bacterial beta-glucuronidase inhibitors ameliorates irinotecan-induced toxicity. Commun Biol, 4, 2021
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6LDC
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![BU of 6ldc by Molmil](/molmil-images/mine/6ldc) | Structure of Bifidobacterium dentium beta-glucuronidase complexed with C6-nonyl uronic isofagomine | Descriptor: | (2~{S},3~{S},4~{R},5~{R})-2-nonyl-4,5-bis(oxidanyl)piperidine-3-carboxylic acid, LacZ1 Beta-galactosidase | Authors: | Lin, H.-Y, Hsieh, T.-J, Lin, C.-H. | Deposit date: | 2019-11-20 | Release date: | 2021-01-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.181 Å) | Cite: | Entropy-driven binding of gut bacterial beta-glucuronidase inhibitors ameliorates irinotecan-induced toxicity. Commun Biol, 4, 2021
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3T26
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![BU of 3t26 by Molmil](/molmil-images/mine/3t26) | Orthorhombic trypsin (bovine) in the presence of sarcosine | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Cahn, J, Venkat, M, Marshall, H, Juers, D. | Deposit date: | 2011-07-22 | Release date: | 2011-12-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The use of trimethylamine N-oxide as a primary precipitating agent and related methylamine osmolytes as cryoprotective agents for macromolecular crystallography. Acta Crystallogr.,Sect.D, 68, 2012
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3T29
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![BU of 3t29 by Molmil](/molmil-images/mine/3t29) | TMAO-grown trigonal trypsin (bovine) | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Cahn, J, Venkat, M, Marshall, H, Juers, D. | Deposit date: | 2011-07-22 | Release date: | 2011-12-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The use of trimethylamine N-oxide as a primary precipitating agent and related methylamine osmolytes as cryoprotective agents for macromolecular crystallography. Acta Crystallogr.,Sect.D, 68, 2012
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3T2J
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![BU of 3t2j by Molmil](/molmil-images/mine/3t2j) | Tetragonal thermolysin in the presence of betaine | Descriptor: | CALCIUM ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Cahn, J, Hti Lar Seng, N.S, Juers, D. | Deposit date: | 2011-07-22 | Release date: | 2011-12-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The use of trimethylamine N-oxide as a primary precipitating agent and related methylamine osmolytes as cryoprotective agents for macromolecular crystallography. Acta Crystallogr.,Sect.D, 68, 2012
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3TDD
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![BU of 3tdd by Molmil](/molmil-images/mine/3tdd) | Crystal structure of yeast CP in complex with Belactosin C | Descriptor: | Proteasome component C1, Proteasome component C11, Proteasome component C5, ... | Authors: | Korotkov, V.S, Ludwig, A, Larionov, O.V, Lygin, A.V, Groll, M, de Meijere, A. | Deposit date: | 2011-08-10 | Release date: | 2011-10-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Synthesis and biological activity of optimized belactosin C congeners. Org.Biomol.Chem., 9, 2011
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3RF4
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![BU of 3rf4 by Molmil](/molmil-images/mine/3rf4) | Ancylostoma ceylanicum mif in complex with furosemide | Descriptor: | 5-(AMINOSULFONYL)-4-CHLORO-2-[(2-FURYLMETHYL)AMINO]BENZOIC ACID, ACETATE ION, IMIDAZOLE, ... | Authors: | Cho, Y, Lolis, E. | Deposit date: | 2011-04-05 | Release date: | 2011-10-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Drug Repositioning and Pharmacophore Identification in the Discovery of Hookworm MIF Inhibitors. Chem.Biol., 18, 2011
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3T2H
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![BU of 3t2h by Molmil](/molmil-images/mine/3t2h) | Tetragonal thermolysin in the presence of TMAO | Descriptor: | CALCIUM ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Cahn, J, Hti Lar Seng, N.S, Juers, D. | Deposit date: | 2011-07-22 | Release date: | 2011-12-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The use of trimethylamine N-oxide as a primary precipitating agent and related methylamine osmolytes as cryoprotective agents for macromolecular crystallography. Acta Crystallogr.,Sect.D, 68, 2012
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3T28
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![BU of 3t28 by Molmil](/molmil-images/mine/3t28) | TMAO-grown trypsin (bovine)-previously unreported tetragonal crystal form | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Cahn, J, Venkat, M, Saxby, S, Juers, D. | Deposit date: | 2011-07-22 | Release date: | 2011-12-28 | Last modified: | 2018-03-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The use of trimethylamine N-oxide as a primary precipitating agent and related methylamine osmolytes as cryoprotective agents for macromolecular crystallography. Acta Crystallogr.,Sect.D, 68, 2012
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3T2I
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![BU of 3t2i by Molmil](/molmil-images/mine/3t2i) | Tetragonal thermolysin in the presence of sarcosine | Descriptor: | CALCIUM ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Cahn, J, Hti Lar Seng, N.S, Juers, D. | Deposit date: | 2011-07-22 | Release date: | 2011-12-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The use of trimethylamine N-oxide as a primary precipitating agent and related methylamine osmolytes as cryoprotective agents for macromolecular crystallography. Acta Crystallogr.,Sect.D, 68, 2012
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3T2A
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![BU of 3t2a by Molmil](/molmil-images/mine/3t2a) | TMAO-grown cubic insulin (porcine) | Descriptor: | Insulin A chain, Insulin B chain, trimethylamine oxide | Authors: | Cahn, J, Venkat, M, Marshall, H, Juers, D. | Deposit date: | 2011-07-22 | Release date: | 2011-12-28 | Last modified: | 2012-01-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The use of trimethylamine N-oxide as a primary precipitating agent and related methylamine osmolytes as cryoprotective agents for macromolecular crystallography. Acta Crystallogr.,Sect.D, 68, 2012
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3RF5
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![BU of 3rf5 by Molmil](/molmil-images/mine/3rf5) | Ancylostoma ceylanicum mif in complex with n-(2,3,4,5,6-pentafluoro-benzyl)-4-sulfamoyl-benzamide | Descriptor: | 2-[(furan-2-ylmethyl)amino]benzoic acid, ACETATE ION, IMIDAZOLE, ... | Authors: | Cho, Y, Lolis, E. | Deposit date: | 2011-04-05 | Release date: | 2011-10-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Drug Repositioning and Pharmacophore Identification in the Discovery of Hookworm MIF Inhibitors. Chem.Biol., 18, 2011
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3T25
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![BU of 3t25 by Molmil](/molmil-images/mine/3t25) | TMAO-grown orthorhombic trypsin (bovine) | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Cahn, J, Venkat, M, Marshall, H, Juers, D. | Deposit date: | 2011-07-22 | Release date: | 2011-12-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The use of trimethylamine N-oxide as a primary precipitating agent and related methylamine osmolytes as cryoprotective agents for macromolecular crystallography. Acta Crystallogr.,Sect.D, 68, 2012
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5VQ5
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![BU of 5vq5 by Molmil](/molmil-images/mine/5vq5) | Crystal Structure of the Lectin Domain From the F17-like Adhesin, UclD | Descriptor: | Adhesin, IODIDE ION | Authors: | Klein, R.D, Spaulding, C.N, Dodson, K.W, Pinkner, J.S, Hultgren, S.J, Fremont, D. | Deposit date: | 2017-05-08 | Release date: | 2017-05-24 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Selective depletion of uropathogenic E. coli from the gut by a FimH antagonist. Nature, 546, 2017
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1IHI
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![BU of 1ihi by Molmil](/molmil-images/mine/1ihi) | Crystal Structure of Human Type III 3-alpha-Hydroxysteroid Dehydrogenase/Bile Acid Binding Protein (AKR1C2) Complexed with NADP+ and Ursodeoxycholate | Descriptor: | 3-ALPHA-HYDROXYSTEROID DEHYDROGENASE, ISO-URSODEOXYCHOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Jin, Y, Stayrook, S.E, Albert, R.H, Palackal, N.T, Penning, T.M, Lewis, M. | Deposit date: | 2001-04-19 | Release date: | 2001-10-03 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of human type III 3alpha-hydroxysteroid dehydrogenase/bile acid binding protein complexed with NADP(+) and ursodeoxycholate. Biochemistry, 40, 2001
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3T27
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![BU of 3t27 by Molmil](/molmil-images/mine/3t27) | Orthorhombic trypsin (bovine) in the presence of betaine | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Venkat, M, Saxby, C, Cahn, J, Juers, D. | Deposit date: | 2011-07-22 | Release date: | 2011-12-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The use of trimethylamine N-oxide as a primary precipitating agent and related methylamine osmolytes as cryoprotective agents for macromolecular crystallography. Acta Crystallogr.,Sect.D, 68, 2012
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3UW4
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![BU of 3uw4 by Molmil](/molmil-images/mine/3uw4) | Crystal structure of cIAP1 BIR3 bound to GDC0152 | Descriptor: | Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 4, GDC0152, ... | Authors: | Maurer, B, Hymowitz, S. | Deposit date: | 2011-11-30 | Release date: | 2012-02-22 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Discovery of a Potent Small-Molecule Antagonist of Inhibitor of Apoptosis (IAP) Proteins and Clinical Candidate for the Treatment of Cancer (GDC-0152). J.Med.Chem., 55, 2012
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3UW5
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![BU of 3uw5 by Molmil](/molmil-images/mine/3uw5) | Crystal structure of the BIR domain of MLIAP bound to GDC0152 | Descriptor: | Baculoviral IAP repeat-containing protein 7, Baculoviral IAP repeat-containing protein 4, GDC-0152, ... | Authors: | Maurer, B, Hymowitz, S.G. | Deposit date: | 2011-11-30 | Release date: | 2012-02-22 | Last modified: | 2017-08-02 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Discovery of a Potent Small-Molecule Antagonist of Inhibitor of Apoptosis (IAP) Proteins and Clinical Candidate for the Treatment of Cancer (GDC-0152). J.Med.Chem., 55, 2012
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3VB7
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![BU of 3vb7 by Molmil](/molmil-images/mine/3vb7) | Crystal structure of SARS-CoV 3C-like protease with M4Z | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase, GLYCEROL, ... | Authors: | Chuck, C.P, Wong, K.B. | Deposit date: | 2011-12-31 | Release date: | 2012-12-12 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Design, synthesis and crystallographic analysis of nitrile-based broad-spectrum peptidomimetic inhibitors for coronavirus 3C-like proteases Eur.J.Med.Chem., 59C, 2012
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3VB6
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![BU of 3vb6 by Molmil](/molmil-images/mine/3vb6) | Crystal structure of SARS-CoV 3C-like protease with C6Z | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase, C6Z inhibitor | Authors: | Chuck, C.P, Wong, K.B. | Deposit date: | 2011-12-31 | Release date: | 2012-12-12 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Design, synthesis and crystallographic analysis of nitrile-based broad-spectrum peptidomimetic inhibitors for coronavirus 3C-like proteases Eur.J.Med.Chem., 59C, 2012
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