2HYY
 
 | | Human Abl kinase domain in complex with imatinib (STI571, Glivec) | | Descriptor: | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, Proto-oncogene tyrosine-protein kinase ABL1 | | Authors: | Cowan-Jacob, S.W, Fendrich, G, Liebetanz, J, Fabbro, D, Manley, P. | | Deposit date: | 2006-08-08 | | Release date: | 2007-01-16 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural biology contributions to the discovery of drugs to treat chronic myelogenous leukaemia.
ACTA CRYSTALLOGR.,SECT.D, 63, 2007
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1Z52
 | | Proaerolysin Mutant W373L | | Descriptor: | Aerolysin | | Authors: | Parker, M.W, Feil, S.C, Tang, J.W. | | Deposit date: | 2005-03-16 | | Release date: | 2006-03-07 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Crystal Structure of Proaerolysin at 2.3 A Resolution and Structural Analyses of Single-site Mutants as a Basis for Understanding Membrane Insertion of the Toxin
To be Published
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4BEY
 | | Night blindness causing G90D rhodopsin in complex with GaCT2 peptide | | Descriptor: | ACETATE ION, Guanine nucleotide-binding protein G(t) subunit alpha-1, PALMITIC ACID, ... | | Authors: | Singhal, A, Ostermaier, M.K, Vishnivetskiy, S.A, Panneels, V, Homan, K.T, Tesmer, J.J.G, Veprintsev, D, Deupi, X, Gurevich, V.V, Schertler, G.F.X, Standfuss, J. | | Deposit date: | 2013-03-12 | | Release date: | 2013-05-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Insights Into Congenital Stationary Night Blindness Based on the Structure of G90D Rhodopsin.
Embo Rep., 14, 2013
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4BHF
 | | Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with 4-(Trimethylammonio)pentanoate | | Descriptor: | 4-(Trimethylammonio)pentanoic acid, GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, ... | | Authors: | Tars, K, Leitans, J, Kazaks, A. | | Deposit date: | 2013-04-02 | | Release date: | 2014-03-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Targeting Carnitine Biosynthesis: Discovery of New Inhibitors Against Gamma-Butyrobetaine Hydroxylase.
J.Med.Chem., 57, 2014
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1L4Z
 | | X-RAY CRYSTAL STRUCTURE OF THE COMPLEX OF MICROPLASMINOGEN WITH ALPHA DOMAIN OF STREPTOKINASE IN THE PRESENCE CADMIUM IONS | | Descriptor: | CADMIUM ION, Plasminogen, Streptokinase | | Authors: | Wakeham, N, Terzyan, S, Zhai, P, Loy, J.A, Tang, J, Zhang, X.C. | | Deposit date: | 2002-03-06 | | Release date: | 2002-12-11 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Effects of deletion of streptokinase residues 48-59 on plasminogen activation.
PROTEIN ENG., 15, 2002
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4DP3
 | | Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with P218 and NADPH | | Descriptor: | 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid, Bifunctional dihydrofolate reductase-thymidylate synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Yuthavong, Y, Vilaivan, T, Kamchonwongpaisan, S, Charman, S.A, McLennan, D.N, White, K.L, Vivas, L, Bongard, E, Chitnumsub, P, Tarnchompoo, B, Thongphanchang, C, Taweechai, S, Vanichtanakul, J, Arwon, U, Fantauzzi, P, Yuvaniyama, J, Charman, W.N, Matthews, D. | | Deposit date: | 2012-02-13 | | Release date: | 2012-11-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Malarial dihydrofolate reductase as a paradigm for drug development against a resistance-compromised target
Proc.Natl.Acad.Sci.USA, 109, 2012
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2EKG
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4DPH
 | | Quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with P65 and NADPH | | Descriptor: | 2,4-diamino-6-methyl-5-[3-(2,4,5-trichlorophenoxy)propyloxy]pyrimidine, BETA-MERCAPTOETHANOL, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | | Authors: | Yuthavong, Y, Vilaivan, T, Kamchonwongpaisan, S, Charman, S.A, McLennan, D.N, White, K.L, Vivas, L, Bongard, E, Chitnumsub, P, Tarnchompoo, B, Thongphanchang, C, Taweechai, S, Vanichtanakul, J, Arwon, U, Fantauzzi, P, Yuvaniyama, J, Charman, W.N, Matthews, D. | | Deposit date: | 2012-02-13 | | Release date: | 2012-11-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Malarial dihydrofolate reductase as a paradigm for drug development against a resistance-compromised target
Proc.Natl.Acad.Sci.USA, 109, 2012
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2VKM
 | | Crystal structure of GRL-8234 bound to BACE (Beta-secretase) | | Descriptor: | BETA-SECRETASE 1, N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide | | Authors: | Hong, L, Tang, J, Ghosh, A.K. | | Deposit date: | 2007-12-04 | | Release date: | 2008-12-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Potent Memapsin 2 (Beta-Secretase) Inhibitors: Design, Synthesis, Protein-Ligand X-Ray Structure, and in Vivo Evaluation.
Bioorg.Med.Chem.Lett., 18, 2008
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4BG1
 | | Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with 1-(3-Carboxypropyl)-1-methylpyrrolidin-1-ium chloride | | Descriptor: | 1-(3-carboxypropyl)-1-methylpyrrolidin-1-ium, GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, ... | | Authors: | Tars, K, Leitans, J, Kazaks, A. | | Deposit date: | 2013-03-22 | | Release date: | 2014-03-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Targeting Carnitine Biosynthesis: Discovery of New Inhibitors Against Gamma-Butyrobetaine Hydroxylase.
J.Med.Chem., 57, 2014
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4CKU
 | | Three dimensional structure of plasmepsin II in complex with hydroxyethylamine-based inhibitor | | Descriptor: | 5-[1,1-bis(oxidanylidene)-1,2-thiazinan-2-yl]-N3-[(2S,3R)-4-[2-(3-methoxyphenyl)propan-2-ylamino]-3-oxidanyl-1-phenyl-butan-2-yl]-N1,N1-dipropyl-benzene-1,3-dicarboxamide, PLASMEPSIN-2 | | Authors: | Tars, K, Leitans, J, Jaudzems, K. | | Deposit date: | 2014-01-08 | | Release date: | 2014-06-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Plasmepsin Inhibitory Activity and Structure-Guided Optimization of a Potent Hydroxyethylamine-Based Antimalarial Hit.
Acs Med.Chem.Lett., 5, 2014
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4F1S
 | | Crystal structure of human PI3K-gamma in complex with a pyridyl-triazine-sulfonamide inhibitor | | Descriptor: | N-(5-{[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-(tetrahydro-2H-pyran-4-yl)pyridin-2-yl]amino}-2-chloropyridin-3-yl)methanesulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | | Deposit date: | 2012-05-07 | | Release date: | 2012-08-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Synthesis and structure-activity relationships of dual PI3K/mTOR inhibitors based on a 4-amino-6-methyl-1,3,5-triazine sulfonamide scaffold.
Bioorg.Med.Chem.Lett., 22, 2012
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1M1C
 | | Structure of the L-A virus | | Descriptor: | Major coat protein | | Authors: | Naitow, H, Tang, J, Canady, M, Wickner, R.B, Johnson, J.E. | | Deposit date: | 2002-06-18 | | Release date: | 2002-10-02 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | L-A virus at 3.4 A resolution reveals particle architecture and mRNA decapping mechanism.
Nat.Struct.Biol., 9, 2002
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3UTE
 | | Crystal structure of Aspergillus fumigatus UDP galactopyranose mutase sulfate complex | | Descriptor: | ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Dhatwalia, R, Singh, H, Tanner, J.J. | | Deposit date: | 2011-11-25 | | Release date: | 2012-02-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Crystal Structures and Small-angle X-ray Scattering Analysis of UDP-galactopyranose Mutase from the Pathogenic Fungus Aspergillus fumigatus.
J.Biol.Chem., 287, 2012
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5XA3
 | | Crystal Structure of P450BM3 with Benzyloxycarbonyl-L-prolyl-L-phenylalanine | | Descriptor: | Bifunctional cytochrome P450/NADPH-P450 reductase, DIMETHYL SULFOXIDE, PHENYLALANINE, ... | | Authors: | Shoji, O, Yanagisawa, S, Stanfield, J.K, Suzuki, K, Kasai, C, Cong, Z, Sugimoto, H, Shiro, Y, Watanabe, Y. | | Deposit date: | 2017-03-10 | | Release date: | 2018-02-21 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Direct Hydroxylation of Benzene to Phenol by Cytochrome P450BM3 Triggered by Amino Acid Derivatives.
Angew. Chem. Int. Ed. Engl., 56, 2017
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4K57
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4Q58
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4Q59
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2M3W
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4Q57
 | | Crystal structure of the plectin 1a actin-binding domain/N-terminal domain of calmodulin complex | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Song, J.-G, Kostan, J, Grishkovskaya, I, Djinovic-Carugo, K. | | Deposit date: | 2014-04-16 | | Release date: | 2014-07-23 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of the plectin 1a actin-binding domain/N-terminal domain of calmodulin complex
To be Published
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4RAF
 | | Crystal structure of PP2Ca-D38A | | Descriptor: | MANGANESE (II) ION, Protein phosphatase 1A | | Authors: | Pan, C, Tang, J.Y, Xu, Y.F, Xiao, P, Liu, H.D, Wang, H.A, Wang, W.B, Meng, F.G, Yu, X, Sun, J.P. | | Deposit date: | 2014-09-10 | | Release date: | 2015-08-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | The catalytic role of the M2 metal ion in PP2C alpha
Sci Rep, 5, 2015
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7W97
 | | Crystal Structure of the CYP102A1 (P450BM3) Heme Domain with N-Hexadecanoyl-L-Homoserine | | Descriptor: | (2~{S})-2-(hexadecanoylamino)-4-oxidanyl-butanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, ... | | Authors: | Karasawa, M, Stanfield, J.K, Kasai, C, Sugimoto, H, Shoji, O. | | Deposit date: | 2021-12-09 | | Release date: | 2022-12-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal Structure of the CYP102A1 (P450BM3) Heme Domain with N-Hexadecanoyl-L-Homoserine
To Be Published
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2HZ4
 | | Abl kinase domain unligated and in complex with tetrahydrostaurosporine | | Descriptor: | 1,2,3,4-TETRAHYDROGEN-STAUROSPORINE, Proto-oncogene tyrosine-protein kinase ABL1 | | Authors: | Cowan-Jacob, S.W, Fendrich, G, Liebetanz, J, Fabbro, D, Manley, P. | | Deposit date: | 2006-08-08 | | Release date: | 2007-01-16 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural biology contributions to the discovery of drugs to treat chronic myelogenous leukaemia.
ACTA CRYSTALLOGR.,SECT.D, 63, 2007
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4RA2
 | | PP2Ca | | Descriptor: | MANGANESE (II) ION, PHOSPHATE ION, Protein phosphatase 1A | | Authors: | Pan, C, Tang, J.Y, Xu, Y.F, Xiao, P, Liu, H.D, Wang, H.A, Wang, W.B, Meng, F.G, Yu, X, Sun, J.P. | | Deposit date: | 2014-09-09 | | Release date: | 2015-05-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | The catalytic role of the M2 metal ion in PP2Ca
SCI REP, 2015
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4DSG
 | | Crystal Structure of oxidized UDP-Galactopyranose mutase | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, UDP-galactopyranose mutase, ... | | Authors: | Singh, H, Dhatwalia, R, Tanner, J.J. | | Deposit date: | 2012-02-18 | | Release date: | 2012-06-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.249 Å) | | Cite: | Crystal Structures of Trypanosoma cruzi UDP-Galactopyranose Mutase Implicate Flexibility of the Histidine Loop in Enzyme Activation.
Biochemistry, 51, 2012
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