5JN8
 
 | | Crystal Structure for the complex of human carbonic anhydrase IV and acetazolamide | | Descriptor: | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, ACETATE ION, Carbonic anhydrase 4, ... | | Authors: | Chen, Z, Waheed, A, Di Cera, E, Sly, W.S. | | Deposit date: | 2016-04-29 | | Release date: | 2017-05-03 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Intrinsic thermodynamics of high affinity inhibitor binding to recombinant human carbonic anhydrase IV.
Eur. Biophys. J., 47, 2018
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5J7P
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3C3R
 | | ALIX BRO1 CHMP4C complex | | Descriptor: | Charged multivesicular body protein 4c peptide, GLYCEROL, Programmed cell death 6-interacting protein | | Authors: | McCullough, J.B, Fisher, R.D, Whitby, F.G, Sundquist, W.I, Hill, C.P. | | Deposit date: | 2008-01-28 | | Release date: | 2008-06-10 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | ALIX-CHMP4 interactions in the human ESCRT pathway.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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6C19
 | | FGFR1 kinase complex with inhibitor SN36985 | | Descriptor: | 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-(methylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, Fibroblast growth factor receptor 1, SULFATE ION | | Authors: | Yosaatmadja, Y, Smaill, J.B, Squire, C.J. | | Deposit date: | 2018-01-04 | | Release date: | 2019-01-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Understanding the structural requirements for covalent inhibition of FGFR1-3
To Be Published
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1QVX
 | | SOLUTION STRUCTURE OF THE FAT DOMAIN OF FOCAL ADHESION KINASE | | Descriptor: | Focal adhesion kinase 1 | | Authors: | Gao, G, Prutzman, K.C, King, M.L, DeRose, E.F, London, R.E, Schaller, M.D, Campbell, S.L. | | Deposit date: | 2003-08-29 | | Release date: | 2004-03-02 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | NMR Solution Structure of the Focal Adhesion Targeting Domain of Focal Adhesion Kinase in Complex with a Paxillin LD Peptide: EVIDENCE FOR A TWO-SITE BINDING MODEL.
J.Biol.Chem., 279, 2004
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4WKJ
 | | Crystallographic Structure of a Dodecameric RNA-DNA Hybrid | | Descriptor: | DNA (5'-D(*GP*AP*AP*TP*CP*AP*GP*GP*TP*GP*TP*C)-3'), MAGNESIUM ION, RNA (5'-R(*GP*AP*CP*AP*CP*CP*UP*GP*AP*UP*UP*C)-3') | | Authors: | Davis, R.R, Shaban, N.M, Perrino, F.W, Hollis, T. | | Deposit date: | 2014-10-02 | | Release date: | 2014-10-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of RNA-DNA duplex provides insight into conformational changes induced by RNase H binding.
Cell Cycle, 14, 2015
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6PA8
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1RTL
 | | CRYSTAL STRUCTURE OF HCV NS3 PROTEASE DOMAIN: NS4A PEPTIDE COMPLEX WITH COVALENTLY BOUND PYRROLIDINE-5,5-TRANSLACTAM INHIBITOR | | Descriptor: | N-[(2R,3S)-1-((2S)-2-{[(CYCLOPENTYLAMINO)CARBONYL]AMINO}-3-METHYLBUTANOYL)-2-(1-FORMYL-1-CYCLOBUTYL)PYRROLIDINYL]CYCLOPROPANECARBOXAMIDE, NS3 protease/helicase, NS4A COFACTOR, ... | | Authors: | Skarzynski, T, Somers, D.O.N. | | Deposit date: | 2003-12-10 | | Release date: | 2004-12-14 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Pyrrolidine-5,5-trans-lactams. 4. Incorporation of a P3/P4 urea leads to potent intracellular inhibitors of hepatitis C virus NS3/4A protease
Org.Lett., 5, 2003
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7LBU
 | | Crystal structure of the Propionibacterium acnes surface sialidase | | Descriptor: | ACETATE ION, Exo-alpha-sialidase, PHOSPHATE ION | | Authors: | Yu, A.C.Y, Volkers, G, Strynadka, N.C.J. | | Deposit date: | 2021-01-08 | | Release date: | 2021-12-08 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Crystal structure of the Propionibacterium acnes surface sialidase, a drug target for P. acnes-associated diseases.
Glycobiology, 32, 2022
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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: | 2024-11-13 | | 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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7LBV
 | | Crystal structure of the Propionibacterium acnes surface sialidase in complex with Neu5Ac2en | | Descriptor: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, Exo-alpha-sialidase, PHOSPHATE ION | | Authors: | Yu, A.C.Y, Volkers, G, Strynadka, N.C.J. | | Deposit date: | 2021-01-09 | | Release date: | 2021-12-08 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of the Propionibacterium acnes surface sialidase, a drug target for P. acnes-associated diseases.
Glycobiology, 32, 2022
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7L23
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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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4F2B
 | | Modulation of S.Aureus Phosphatidylinositol-Specific Phospholipase C Membrane Binding | | Descriptor: | 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, 1-phosphatidylinositol phosphodiesterase | | Authors: | Cheng, J, Goldstein, R, Stec, B, Gershenson, A, Roberts, M.F. | | Deposit date: | 2012-05-07 | | Release date: | 2012-12-12 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Competition between Anion Binding and Dimerization Modulates Staphylococcus aureus Phosphatidylinositol-specific Phospholipase C Enzymatic Activity.
J.Biol.Chem., 287, 2012
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2W3L
 | | Crystal Structure of Chimaeric Bcl2-xL and Phenyl Tetrahydroisoquinoline Amide Complex | | Descriptor: | 1-(2-{[(3S)-3-(aminomethyl)-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}phenyl)-4-chloro-5-methyl-N,N-diphenyl-1H-pyrazole-3-carboxamide, APOPTOSIS REGULATOR BCL-2 | | Authors: | Porter, J, Payne, A, de Candole, B, Ford, D, Hutchinson, B, Trevitt, G, Turner, J, Edwards, C, Watkins, C, Whitcombe, I, Davis, J, Stubberfield, C, Fisher, M, Lamers, M. | | Deposit date: | 2008-11-13 | | Release date: | 2008-12-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Tetrahydroisoquinoline Amide Substituted Phenyl Pyrazoles as Selective Bcl-2 Inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
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7LXS
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7NC7
 | | Crystal structure of fructose-bisphosphate aldolases FBAC from Bacillus methanolicus | | Descriptor: | 1,3-DIHYDROXYACETONEPHOSPHATE, Fructose-bisphosphate aldolase | | Authors: | Einsle, O, Zhang, L, Guetle, D, Jacquot, J.P. | | Deposit date: | 2021-01-28 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Interrogating the Role of the Two Distinct Fructose-Bisphosphate Aldolases of Bacillus methanolicus by Site-Directed Mutagenesis of Key Amino Acids and Gene Repression by CRISPR Interference
Front Microbiol, 12, 2021
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4ZT2
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor N-(3,5-dichlorobenzyl)-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine (Chem 1575) | | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, METHIONINE, ... | | Authors: | Koh, C.-Y, Hol, W.G.J. | | Deposit date: | 2015-05-14 | | Release date: | 2016-05-04 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | 5-Fluoroimidazo[4,5-b]pyridine Is a Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-tRNA Synthetase Inhibitors.
Acs Infect Dis., 2, 2016
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4ZW2
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4ZYN
 | | Crystal Structure of Parkin E3 ubiquitin ligase (linker deletion; delta 86-130) | | Descriptor: | E3 ubiquitin-protein ligase parkin, SULFATE ION, ZINC ION | | Authors: | Lilov, A, Sauve, V, Trempe, J.F, Rodionov, D, Wang, J, Gehring, K. | | Deposit date: | 2015-05-21 | | Release date: | 2015-08-19 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | A Ubl/ubiquitin switch in the activation of Parkin.
Embo J., 34, 2015
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4ZT3
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor N-(3,5-dichlorobenzyl)-N'-(5-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine (Chem 1614) | | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, METHIONINE, ... | | Authors: | Koh, C.-Y, Hol, W.G.J. | | Deposit date: | 2015-05-14 | | Release date: | 2016-05-04 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | 5-Fluoroimidazo[4,5-b]pyridine Is a Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-tRNA Synthetase Inhibitors.
Acs Infect Dis., 2, 2016
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4ZT7
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor N-[(4R)-6,8-dichloro-1,2,3,4-tetrahydroquinolin-4-yl]-N'-(5-fluoro-3H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine (Chem 1717) | | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, METHIONINE, ... | | Authors: | Koh, C.-Y, Hol, W.G.J. | | Deposit date: | 2015-05-14 | | Release date: | 2016-05-04 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | 5-Fluoroimidazo[4,5-b]pyridine Is a Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-tRNA Synthetase Inhibitors.
Acs Infect Dis., 2, 2016
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2GC0
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2GC1
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