6IL3
 
 | | Crystal structure of the FLT3 kinase bound to a small molecule inhibitor | | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, 7-methoxy-6-(1-methyl-1H-pyrazol-4-yl)-3-(pyridin-2-yl)imidazo[1,2-a]pyridine, CHLORIDE ION, ... | | Authors: | Thomas, C.J. | | Deposit date: | 2018-10-16 | | Release date: | 2018-12-12 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of the FLT3 kinase bound to a small molecule inhibitor
To Be Published
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1UOU
 | | Crystal structure of human thymidine phosphorylase in complex with a small molecule inhibitor | | Descriptor: | 5-CHLORO-6-(1-(2-IMINOPYRROLIDINYL) METHYL) URACIL, THYMIDINE PHOSPHORYLASE | | Authors: | Norman, R.A, Barry, S.T, Bate, M, Breed, J, Colls, J.G, Ernill, R.J, Luke, R.W.A, Minshull, C.A, McAlister, M.S.B, McCall, E.J, McMiken, H.H.J, Paterson, D.S, Timms, D, Tucker, J.A, Pauptit, R.A. | | Deposit date: | 2003-09-23 | | Release date: | 2004-01-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Crystal Structure of Human Thymidine Phosphorylase in Complex with a Small Molecule Inhibitor
Structure, 12, 2004
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3LFB
 | | Human p38 MAP Kinase in Complex with RL98 | | Descriptor: | 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-(1,3-thiazol-2-yl)urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | Authors: | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | | Deposit date: | 2010-01-16 | | Release date: | 2011-04-20 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Development of novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha
To be Published
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2YCF
 | | Crystal Structure of Checkpoint Kinase 2 in complex with Inhibitor PV1531 | | Descriptor: | (2E)-N-hydroxy-2-[1-(4-{[(4-{(1E)-1-[2-(N'-hydroxycarbamimidoyl)hydrazinylidene]ethyl}phenyl)carbamoyl]amino}phenyl)ethylidene]hydrazinecarboximidamide, MAGNESIUM ION, NITRATE ION, ... | | Authors: | Lountos, G.T, Jobson, A.G, Tropea, J.E, Self, C.R, Pommier, Y, Shoemaker, R.H, Zhang, G, Waugh, D.S. | | Deposit date: | 2011-03-14 | | Release date: | 2011-11-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Structural Characterization of Inhibitor Complexes with Checkpoint Kinase 2 (Chk2), a Drug Target for Cancer Therapy.
J.Struct.Biol., 176, 2011
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1ZVR
 | | Crystal Structure of MTMR2 in complex with phosphatidylinositol 3,5-bisphosphate | | Descriptor: | (1S)-2-(1-HYDROXYBUTOXY)-1-{[(HYDROXY{[(2R,3S,5R,6S)-2,4,6-TRIHYDROXY-3,5-BIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL)OXY]METHYL}ETHYL BUTYRATE, 1,2-ETHANEDIOL, Myotubularin-related protein 2 | | Authors: | Begley, M.J, Taylor, G.S, Brock, M.A, Ghosh, P, Woods, V.L, Dixon, J.E. | | Deposit date: | 2005-06-02 | | Release date: | 2006-01-31 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Molecular basis for substrate recognition by MTMR2, a myotubularin family phosphoinositide phosphatase
Proc.Natl.Acad.Sci.Usa, 103, 2006
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2PSS
 | | The structure of Plasmodium falciparum spermidine synthase in its apo-form | | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, GLYCEROL, SULFATE ION, ... | | Authors: | Dufe, V.T, Qiu, W, Muller, I.B, Hui, R, Walter, R.D, Al-Karadaghi, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-05-07 | | Release date: | 2008-04-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of Plasmodium falciparum spermidine synthase in complex with the substrate decarboxylated S-adenosylmethionine and the potent inhibitors 4MCHA and AdoDATO.
J.Mol.Biol., 373, 2007
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4J7G
 | | Crystal structure of EvaA, a 2,3-dehydratase in complex with dTDP-fucose and dTDP-rhamnose | | Descriptor: | 2'-DEOXY-THYMIDINE-BETA-L-RHAMNOSE, EvaA 2,3-dehydratase, [[(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3R,4S,5R,6R)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate | | Authors: | Holden, H.M, Kubiak, R.L, Thoden, J.B. | | Deposit date: | 2013-02-13 | | Release date: | 2013-05-22 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure of EvaA: A Paradigm for Sugar 2,3-Dehydratases.
Biochemistry, 52, 2013
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4BFO
 | | Crystal Structure of the Starch-Binding Domain from Rhizopus oryzae Glucoamylase in Complex with isomaltotriose | | Descriptor: | GLUCOAMYLASE, alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose | | Authors: | Chu, C.H, Li, K.M, Lin, S.W, Sun, Y.J. | | Deposit date: | 2013-03-21 | | Release date: | 2013-10-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.175 Å) | | Cite: | Crystal Structures of Starch Binding Domain from Rhizopus Oryzae Glucoamylase in Complex with Isomaltooligosaccharide: Insights Into Polysaccharide Binding Mechanism of Cbm21 Family.
Proteins, 82, 2014
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3PF2
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6JE2
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3LJT
 | | Crystal Structure of the Catalytic Domain of ADAMTS-5 in Complex with an Amino-2-indanol compound | | Descriptor: | (2R)-2-[4-(1,3-benzodioxol-5-yl)benzyl]-N~4~-hydroxy-N~1~-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanediamide, 1,2-ETHANEDIOL, A disintegrin and metalloproteinase with thrombospondin motifs 5, ... | | Authors: | Shieh, H.-S, Williams, J.M, Caspers, N. | | Deposit date: | 2010-01-26 | | Release date: | 2010-03-31 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure analysis reveals the flexibility of the ADAMTS-5 active site.
Protein Sci., 20, 2011
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2IS1
 | | Crystal structure of UvrD-DNA-SO4 complex | | Descriptor: | 5'-D(*CP*GP*AP*GP*CP*AP*CP*TP*GP*C)-3', 5'-D(*GP*CP*AP*GP*TP*GP*CP*TP*CP*GP*TP*TP*TP*TP*TP*TP*T)-3', DNA helicase II, ... | | Authors: | Yang, W, Lee, J.Y. | | Deposit date: | 2006-10-16 | | Release date: | 2007-01-09 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | UvrD helicase unwinds DNA one base pair at a time by a two-part power stroke.
Cell(Cambridge,Mass.), 127, 2006
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2F21
 | | human Pin1 Fip mutant | | Descriptor: | PENTAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | | Authors: | Jager, M, Zhang, Y, Bowman, M.E, Noel, J.P, Kelly, J.W. | | Deposit date: | 2005-11-15 | | Release date: | 2006-06-20 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure-function-folding relationship in a WW domain.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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1UVB
 | | Lipid Binding in Rice Nonspecific Lipid Transfer Protein-1 Complexes from Oryza sativa | | Descriptor: | NONSPECIFIC LIPID TRANSFER PROTEIN, PALMITOLEIC ACID | | Authors: | Cheng, H.-C, Cheng, P.-T, Peng, P, Lyu, P.-C, Sun, Y.-J. | | Deposit date: | 2004-01-19 | | Release date: | 2004-10-19 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Lipid Binding in Rice Nonspecific Lipid Transfer Protein-1 Complexes from Oryza Sativa
Protein Sci., 13, 2004
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4NO9
 | | yCP in complex with Z-Leu-Leu-Leu-epoxyketone | | Descriptor: | MAGNESIUM ION, N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-L-leucinamide, N-[(benzyloxy)carbonyl]-L-leucyl-N-{(1R,2S)-1-hydroxy-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-2-yl}-L-leucinamide, ... | | Authors: | Stein, M.L, Cui, H, Beck, P, Dubiella, C, Voss, C, Krueger, A, Schmidt, B, Groll, M. | | Deposit date: | 2013-11-19 | | Release date: | 2014-02-12 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Systematic Comparison of Peptidic Proteasome Inhibitors Highlights the alpha-Ketoamide Electrophile as an Auspicious Reversible Lead Motif.
Angew.Chem.Int.Ed.Engl., 53, 2014
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4FFG
 | | Crystal Structure of Levan Fructotransferase from Arthrobacter ureafaciens in complex with DFA-IV | | Descriptor: | (1R,4R,5S,6S,7R,10R,11S,12S)-1,7-bis(hydroxymethyl)-2,8,13,14-tetraoxatricyclo[8.2.1.1~4,7~]tetradecane-5,6,11,12-tetrol, Levan fructotransferase, beta-D-fructofuranose-(2-6)-beta-D-fructofuranose | | Authors: | Park, J, Rhee, S. | | Deposit date: | 2012-06-01 | | Release date: | 2012-07-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and functional basis for substrate specificity and catalysis of levan fructotransferase.
J.Biol.Chem., 287, 2012
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5T23
 | | PI3Kg IN COMPLEX WITH 5d | | Descriptor: | 3-(benzotriazol-1-yl)-5-[1-methyl-5-[(1~{S})-1-morpholin-4-ylethyl]-1,2,4-triazol-3-yl]pyrazin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | | Authors: | Petersen, J, Terstige, I, Perry, M, Svensson, T, Tyrchan, C, Lindmark, H, Oster, L. | | Deposit date: | 2016-08-23 | | Release date: | 2017-04-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Discovery of triazole aminopyrazines as a highly potent and selective series of PI3K delta inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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4NRS
 | | Crystal Structure of Glycoside Hydrolase Family 5 Mannosidase (E202A mutant) from Rhizomucor miehei in complex with mannobiose | | Descriptor: | Exo-beta-1,4-mannosidase, beta-D-mannopyranose-(1-4)-alpha-D-mannopyranose | | Authors: | Jiang, Z.Q, Zhou, P, Yang, S.Q, Liu, Y, Yan, Q.J. | | Deposit date: | 2013-11-27 | | Release date: | 2014-11-19 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Structural insights into the substrate specificity and transglycosylation activity of a fungal glycoside hydrolase family 5 beta-mannosidase.
Acta Crystallogr.,Sect.D, 70, 2014
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6JGQ
 | | Crystal structure of barley exohydrolaseI W434Y mutant in complex with methyl 2-thio-beta-sophoroside. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, GLYCEROL, ... | | Authors: | Luang, S, Streltsov, V.A, Hrmova, M. | | Deposit date: | 2019-02-14 | | Release date: | 2020-08-19 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
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1RZV
 | | Crystal structure of the glycogen synthase from Agrobacterium tumefaciens (non-complexed form) | | Descriptor: | Glycogen synthase 1 | | Authors: | Buschiazzo, A, Guerin, M.E, Ugalde, J.E, Ugalde, R.A, Shepard, W, Alzari, P.M. | | Deposit date: | 2003-12-29 | | Release date: | 2004-08-31 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of glycogen synthase: homologous enzymes catalyze glycogen synthesis and degradation.
Embo J., 23, 2004
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3BDI
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5O3E
 | | Human Brd2(BD2) mutant in complex with Me-Am1 | | Descriptor: | (2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{N}-ethyl-propanamide, (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol, Bromodomain-containing protein 2, ... | | Authors: | Chan, K.-H, Runcie, A.C, Ciulli, A. | | Deposit date: | 2017-05-23 | | Release date: | 2018-02-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition.
Chem Sci, 9, 2018
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2PUU
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4MXW
 | | Structure of heterotrimeric lymphotoxin LTa1b2 bound to lymphotoxin beta receptor LTbR and anti-LTa Fab | | Descriptor: | Lymphotoxin-alpha, Lymphotoxin-beta, Tumor necrosis factor receptor superfamily member 3, ... | | Authors: | Sudhamsu, J, Yin, J.P, Hymowitz, S.G. | | Deposit date: | 2013-09-26 | | Release date: | 2013-11-13 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Dimerization of LT beta R by LT alpha 1 beta 2 is necessary and sufficient for signal transduction.
Proc.Natl.Acad.Sci.USA, 110, 2013
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3ZNC
 | | MURINE CARBONIC ANHYDRASE IV COMPLEXED WITH BRINZOLAMIDE | | Descriptor: | (+)-4-ETHYLAMINO-3,4-DIHYDRO-2-(METHOXY)PROPYL-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, CARBONIC ANHYDRASE IV, ZINC ION | | Authors: | Stams, T, Chen, Y, Christianson, D.W. | | Deposit date: | 1998-02-10 | | Release date: | 1999-03-23 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structures of murine carbonic anhydrase IV and human carbonic anhydrase II complexed with brinzolamide: molecular basis of isozyme-drug discrimination.
Protein Sci., 7, 1998
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