4KNM
| Crystal structure of human carbonic anhydrase isozyme XIII with 2-Chloro-4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide | Descriptor: | 2-chloro-4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide, Carbonic anhydrase 13, TRIETHYLENE GLYCOL, ... | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2013-05-10 | Release date: | 2013-11-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Benzenesulfonamides with pyrimidine moiety as inhibitors of human carbonic anhydrases I, II, VI, VII, XII, and XIII Bioorg.Med.Chem., 21, 2013
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7LXS
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4YRK
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1UY4
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1UY3
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1UY2
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7L23
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1UY1
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4ZFX
| Siderocalin-mediated recognition and cellular uptake of actinides | Descriptor: | N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris(2,3-dihydroxybenzamide), Neutrophil gelatinase-associated lipocalin, SULFATE ION, ... | Authors: | Allred, B.E, Rupert, P.B, Gauny, S.S, An, D.D, Ralston, C.Y, Sturzbecher-Hoehne, M, Strong, R.K, Abergel, R.J. | Deposit date: | 2015-04-22 | Release date: | 2015-08-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Siderocalin-mediated recognition, sensitization, and cellular uptake of actinides. Proc.Natl.Acad.Sci.USA, 112, 2015
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2QMP
| Crystal Structure of HIV-1 protease complexed with PL-100 | Descriptor: | N-[(5S)-5-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-6-hydroxyhexyl]-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide, Pol polyprotein | Authors: | Allison, T.J. | Deposit date: | 2007-07-16 | Release date: | 2008-07-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of HIV-1 protease complexed with PL-100 To be Published
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7M2N
| Crystal structure of Human Lactate Dehydrogenase A with Inhibitor Compound 15 | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 5-[(5'-{1-(4-carboxy-1,3-thiazol-2-yl)-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-3-yl}-2'-fluoro[1,1'-biphenyl]-4-yl)oxy]-1H-1,2,3-triazole-4-carboxylic acid, ... | Authors: | Gumpena, R, Ding, J, Powell, D.A, Lowther, W.T. | Deposit date: | 2021-03-17 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Dual Glycolate Oxidase/Lactate Dehydrogenase A Inhibitors for Primary Hyperoxaluria ACS Medicinal Chemistry Letters, 12, 2021
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7M2O
| Crystal structure of Human Glycolate Oxidase with Inhibitor Compound 15 | Descriptor: | 1,2-ETHANEDIOL, 5-[(5'-{1-(4-carboxy-1,3-thiazol-2-yl)-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-3-yl}-2'-fluoro[1,1'-biphenyl]-4-yl)oxy]-1H-1,2,3-triazole-4-carboxylic acid, DI(HYDROXYETHYL)ETHER, ... | Authors: | Gumpena, R, Ding, J, Powell, D.A, Lowther, W.T. | Deposit date: | 2021-03-17 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Dual Glycolate Oxidase/Lactate Dehydrogenase A Inhibitors for Primary Hyperoxaluria ACS Medicinal Chemistry Letters, 12, 2021
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1W1G
| Crystal Structure of the PDK1 Pleckstrin Homology (PH) domain bound to DiC4-phosphatidylinositol (3,4,5)-trisphosphate | Descriptor: | (2R)-3-{[(S)-{[(2S,3R,5S,6S)-2,6-DIHYDROXY-3,4,5-TRIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-(1-HYDROXY BUTOXY)PROPYL BUTYRATE, 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1 | Authors: | Komander, D, Deak, M, Alessi, D.R, Van Aalten, D.M.F. | Deposit date: | 2004-06-21 | Release date: | 2004-11-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural Insights Into the Regulation of Pdk1 by Phosphoinositides and Inositol Phosphates Embo J., 23, 2004
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4NWX
| Crystal structure of phosphoglycerate mutase from Staphylococcus aureus in 2-phosphoglyceric acid bound form | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2,3-bisphosphoglycerate-independent phosphoglycerate mutase, 2-PHOSPHOGLYCERIC ACID, ... | Authors: | Roychowdhury, A, Kundu, A, Bose, M, Gujar, A, Das, A.K. | Deposit date: | 2013-12-07 | Release date: | 2015-01-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Complete catalytic cycle of cofactor-independent phosphoglycerate mutase involves a spring-loaded mechanism Febs J., 282, 2015
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1W1H
| Crystal Structure of the PDK1 Pleckstrin Homology (PH) domain | Descriptor: | 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, GLYCEROL, SULFATE ION | Authors: | Komander, D, Deak, M, Alessi, D.R, Van Aalten, D.M.F. | Deposit date: | 2004-06-21 | Release date: | 2004-11-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural Insights Into the Regulation of Pdk1 by Phosphoinositides and Inositol Phosphates Embo J., 23, 2004
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2QNZ
| Crystal structure of the complex between the mycobacterium beta-ketoacyl-acyl carrier protein synthase III (FABH) and SS-(2-hydroxyethyl)-O-decyl ester carbono(dithioperoxoic) acid | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 3, BETA-MERCAPTOETHANOL, DECYL FORMATE | Authors: | Sachdeva, S, Musayev, F, Alhamadsheh, M, Scarsdale, J.N, Wright, H.T, Reynolds, K.A. | Deposit date: | 2007-07-19 | Release date: | 2008-05-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Separate Entrance and Exit Portals for Ligand Traffic in Mycobacterium tuberculosis FabH Chem.Biol., 15, 2008
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1T9M
| X-ray crystal structure of phzG from pseudomonas aeruginosa | Descriptor: | ACETIC ACID, FLAVIN MONONUCLEOTIDE, SULFATE ION, ... | Authors: | Parsons, J.F, Eisenstein, E, Ladner, J.E. | Deposit date: | 2004-05-18 | Release date: | 2004-11-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of the phenazine biosynthesis enzyme PhzG. Acta Crystallogr.,Sect.D, 60, 2004
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2QJB
| Crystal structure analysis of BMP-2 in complex with BMPR-IA variant IA/IB | Descriptor: | Bone morphogenetic protein 2, Bone morphogenetic protein receptor type IA, CHLORIDE ION | Authors: | Kotzsch, A, Mueller, T.D. | Deposit date: | 2007-07-06 | Release date: | 2008-01-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure analysis of bone morphogenetic protein-2 type I receptor complexes reveals a mechanism of receptor inactivation in juvenile polyposis syndrome. J.Biol.Chem., 283, 2008
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2QO0
| Crystal structure of the complex between the A246F mutant of mycobacterium beta-ketoacyl-acyl carrier protein synthase III (FABH) and 11-(decyldithiocarbonyloxy)-undecanoic acid | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 3, DECANE-1-THIOL | Authors: | Sachdeva, S, Musayev, F, Alhamadsheh, M, Scarsdale, J.N, Wright, H.T, Reynolds, K.A. | Deposit date: | 2007-07-19 | Release date: | 2008-05-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Separate Entrance and Exit Portals for Ligand Traffic in Mycobacterium tuberculosis FabH Chem.Biol., 15, 2008
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1W24
| Crystal Structure Of human Vps29 | Descriptor: | VACUOLAR PROTEIN SORTING PROTEIN 29 | Authors: | Wang, D, Guo, M, Teng, M, Niu, L. | Deposit date: | 2004-06-26 | Release date: | 2005-03-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of Human Vacuolar Protein Sorting Protein 29 Reveals a Phosphodiesterase/Nuclease-Like Fold and Two Protein-Protein Interaction Sites. J.Biol.Chem., 280, 2005
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2GC0
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2QX1
| Crystal structure of the complex between mycobacterium tuberculosis beta-ketoacyl-acyl carrier protein synthase III (FABH) and decyl-COA disulfide | Descriptor: | Beta-ketoacyl-ACP synthase III, COENZYME A, DECANE-1-THIOL | Authors: | Sachdeva, S, Musayev, F, Alhamadsheh, M, Scarsdale, J.N, Wright, H.T, Reynolds, K.A. | Deposit date: | 2007-08-10 | Release date: | 2008-03-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Probing reactivity and substrate specificity of both subunits of the dimeric Mycobacterium tuberculosis FabH using alkyl-CoA disulfide inhibitors and acyl-CoA substrates Bioorg.Chem., 36, 2008
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6QDU
| Crystal structure of 14-3-3sigma in complex with a RapGef2 pT740 phosphopeptide inhibited by semi-synthetic fusicoccane FC-NCPC | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, FC-NCPC, ... | Authors: | Andrei, S.A, Kaplan, A, Fournier, A.E, Ottman, C. | Deposit date: | 2019-01-02 | Release date: | 2020-01-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.632 Å) | Cite: | Polypharmacological Perturbation of the 14-3-3 Adaptor Protein Interactome Stimulates Neurite Outgrowth. Cell Chem Biol, 27, 2020
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6QJW
| TetR(D) T103A mutant in complex with 7-chlortetracycline and magnesium | Descriptor: | 7-CHLOROTETRACYCLINE, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Hinrichs, W, Palm, G.J, Berndt, L, Girbardt, B. | Deposit date: | 2019-01-27 | Release date: | 2019-08-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Thermodynamics, cooperativity and stability of the tetracycline repressor (TetR) upon tetracycline binding. Biochim Biophys Acta Proteins Proteom, 1868, 2020
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2YDU
| Crystal structure of YopH in complex with 3-(1,1-dioxido-3- oxoisothiazolidin-5-yl)benzaldeyde | Descriptor: | 3-[(2S)-1,1-DIOXIDO-4-OXOTETRAHYDROTHIOPHEN-2-YL]BENZALDEHYDE, OUTER PROTEIN H PHOSPHATASE | Authors: | Lountos, G.T, Kim, S.E, Bahta, M, Ulrich, R.G, Waugh, D.S, Burke, T.R. | Deposit date: | 2011-03-24 | Release date: | 2011-11-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Isothiazolidinone (Izd) as a Phosphoryl Mimetic in Inhibitors of the Yersinia Pestis Protein Tyrosine Phosphatase Yoph. Acta Crystallogr.,Sect.D, 67, 2011
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