3FY9
 
 | | Staph. aureus DHFR F98Y complexed with AR-102 | | Descriptor: | 5-[[(2R)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Oefner, C. | | Deposit date: | 2009-01-22 | | Release date: | 2009-08-04 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Inhibitory properties and X-ray crystallographic study of the binding of AR-101, AR-102 and iclaprim in ternary complexes with NADPH and dihydrofolate reductase from Staphylococcus aureus
Acta Crystallogr.,Sect.D, 65, 2009
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4M3R
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4M45
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4M3U
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3FYW
 | | Staph. aureus DHFR complexed with NADPH and AR-101 | | Descriptor: | 5-[[(2R)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Oefner, C. | | Deposit date: | 2009-01-23 | | Release date: | 2009-08-04 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Inhibitory properties and X-ray crystallographic study of the binding of AR-101, AR-102 and iclaprim in ternary complexes with NADPH and dihydrofolate reductase from Staphylococcus aureus
Acta Crystallogr.,Sect.D, 65, 2009
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1CM3
 | | HIS15ASP HPR FROM E. COLI | | Descriptor: | HISTIDINE-CONTAINING PROTEIN | | Authors: | Napper, S, Waygood, E.B, Delbaere, L.T.J. | | Deposit date: | 1999-05-13 | | Release date: | 2000-05-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The aspartyl replacement of the active site histidine in histidine-containing protein, HPr, of the Escherichia coli Phosphoenolpyruvate:Sugar phosphotransferase system can accept and donate a phosphoryl group. Spontaneous dephosphorylation of acyl-phosphate autocatalyzes an internal cyclization
J.Biol.Chem., 274, 1999
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1I6S
 | | T4 LYSOZYME MUTANT C54T/C97A/N101A | | Descriptor: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME | | Authors: | Kovall, R.A, Baldwin, E.P, Matthews, B.W. | | Deposit date: | 2001-03-04 | | Release date: | 2001-05-09 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and thermodynamic analysis of the binding of solvent at internal sites in T4 lysozyme.
Protein Sci., 10, 2001
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3FYV
 | | Staph. aureus DHFR complexed with NADPH and AR-102 | | Descriptor: | 5-[[(2R)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Oefner, C. | | Deposit date: | 2009-01-23 | | Release date: | 2009-08-04 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Inhibitory properties and X-ray crystallographic study of the binding of AR-101, AR-102 and iclaprim in ternary complexes with NADPH and dihydrofolate reductase from Staphylococcus aureus
Acta Crystallogr.,Sect.D, 65, 2009
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1D6R
 | | CRYSTAL STRUCTURE OF CANCER CHEMOPREVENTIVE BOWMAN-BIRK INHIBITOR IN TERNARY COMPLEX WITH BOVINE TRYPSIN AT 2.3 A RESOLUTION. STRUCTURAL BASIS OF JANUS-FACED SERINE PROTEASE INHIBITOR SPECIFICITY | | Descriptor: | BOWMAN-BIRK PROTEINASE INHIBITOR PRECURSOR, TRYPSINOGEN | | Authors: | Koepke, J, Ermler, U, Wenzl, G, Flecker, P. | | Deposit date: | 1999-10-15 | | Release date: | 2000-05-05 | | Last modified: | 2017-10-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of cancer chemopreventive Bowman-Birk inhibitor in ternary complex with bovine trypsin at 2.3 A resolution. Structural basis of Janus-faced serine protease inhibitor specificity.
J.Mol.Biol., 298, 2000
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1RU2
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3C3U
 | | Crystal structure of AKR1C1 in complex with NADP and 3,5-dichlorosalicylic acid | | Descriptor: | 3,5-dichloro-2-hydroxybenzoic acid, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Dhagat, U, El-Kabbani, O. | | Deposit date: | 2008-01-28 | | Release date: | 2008-08-26 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Selectivity determinants of inhibitor binding to human 20alpha-hydroxysteroid dehydrogenase: crystal structure of the enzyme in ternary complex with coenzyme and the potent inhibitor 3,5-dichlorosalicylic acid
J.Med.Chem., 51, 2008
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1AHI
 | | 7 ALPHA-HYDROXYSTEROID DEHYDROGENASE COMPLEXED WITH NADH AND 7-OXO GLYCOCHENODEOXYCHOLIC ACID | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 7 ALPHA-HYDROXYSTEROID DEHYDROGENASE, GLYCOCHENODEOXYCHOLIC ACID | | Authors: | Tanaka, N, Nonaka, T, Mitsui, Y. | | Deposit date: | 1995-08-25 | | Release date: | 1996-10-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures of the binary and ternary complexes of 7 alpha-hydroxysteroid dehydrogenase from Escherichia coli.
Biochemistry, 35, 1996
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3HB4
 | | 17beta-hydroxysteroid dehydrogenase type1 complexed with E2B | | Descriptor: | 3-{[(9beta,14beta,16alpha,17alpha)-3,17-dihydroxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide, Estradiol 17-beta-dehydrogenase 1 | | Authors: | Mazumdar, M, Fournier, D, Zhu, D.-W, Cadot, C, Poirier, D, Lin, S.-X. | | Deposit date: | 2009-05-04 | | Release date: | 2009-12-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Binary and ternary crystal structure analyses of a novel inhibitor with 17beta-HSD type 1: a lead compound for breast cancer therapy.
Biochem.J., 424, 2009
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4M3W
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4M41
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4M3Z
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1DJH
 | | PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPASE C-DELTA1 FROM RAT COMPLEXED WITH BARIUM | | Descriptor: | ACETATE ION, BARIUM ION, PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPASE C, ... | | Authors: | Essen, L.-O, Perisic, O, Williams, R.L. | | Deposit date: | 1996-09-25 | | Release date: | 1997-07-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A ternary metal binding site in the C2 domain of phosphoinositide-specific phospholipase C-delta1.
Biochemistry, 36, 1997
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4ORV
 | | Crystal structure of the ternary complex of camel peptidoglycan recognition protein PGRP-S with 7- phenylheptanoic acid and N- acetylglucosamine at 2.50 A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-phenylheptanoic acid, GLYCEROL, ... | | Authors: | Yamini, S, Sharma, P, Yadav, S.P, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2014-02-12 | | Release date: | 2014-03-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of the ternary complex of camel peptidoglycan recognition protein PGRP-S with 7- phenylheptanoic acid and N- acetylglucosamine at 2.50 A resolution
To be Published
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5W1Q
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1M78
 | | CANDIDA ALBICANS DIHYDROFOLATE REDUCTASE COMPLEXED WITH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE (NADPH) AND 5-CHLORYL-2,4,6-QUINAZOLINETRIAMINE (GW1225) | | Descriptor: | 5-CHLORYL-2,4,6-QUINAZOLINETRIAMINE, DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Whitlow, M, Howard, A.J, Kuyper, L.F. | | Deposit date: | 2002-07-19 | | Release date: | 2003-03-04 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | X-Ray Crystallographic Studies of Candida Albicans Dihydrofolate Reductase. High Resolution Structures of the Holoenzyme and an Inhibited Ternary Complex.
J.Biol.Chem., 272, 1997
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1DJG
 | | PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPASE C-DELTA1 FROM RAT COMPLEXED WITH LANTHANUM | | Descriptor: | ACETATE ION, LANTHANUM (III) ION, PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPASE C, ... | | Authors: | Essen, L.-O, Perisic, O, Williams, R.L. | | Deposit date: | 1996-09-25 | | Release date: | 1997-07-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A ternary metal binding site in the C2 domain of phosphoinositide-specific phospholipase C-delta1.
Biochemistry, 36, 1997
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3GPM
 | | Structure of the trimeric form of the E113G PCNA mutant protein | | Descriptor: | Proliferating cell nuclear antigen | | Authors: | Freudenthal, B.D, Gakhar, L, Ramaswamy, S, Washington, M.T. | | Deposit date: | 2009-03-23 | | Release date: | 2009-06-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | A charged residue at the subunit interface of PCNA promotes trimer formation by destabilizing alternate subunit interactions.
Acta Crystallogr.,Sect.D, 65, 2009
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1TMM
 | | Crystal structure of ternary complex of E.coli HPPK(W89A) with MGAMPCPP and 6-Hydroxymethylpterin | | Descriptor: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 6-HYDROXYMETHYLPTERIN, ACETATE ION, ... | | Authors: | Blaszczyk, J, Li, Y, Wu, Y, Shi, G, Ji, X, Yan, H. | | Deposit date: | 2004-06-10 | | Release date: | 2005-06-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Is the Critical Role of Loop 3 of Escherichia coli 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase in Catalysis Due to Loop-3 Residues Arginine-84 and Tryptophan-89? Site-Directed Mutagenesis, Biochemical, and Crystallographic Studies.
Biochemistry, 44, 2005
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1LRT
 | | CRYSTAL STRUCTURE OF TERNARY COMPLEX OF TRITRICHOMONAS FOETUS INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE: STRUCTURAL CHARACTERIZATION OF NAD+ SITE IN MICROBIAL ENZYME | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-METHYLENE-THIAZOLE-4-CARBOXYAMIDE-ADENINE DINUCLEOTIDE, INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE, ... | | Authors: | Gan, L, Petsko, G.A, Hedstrom, L. | | Deposit date: | 2002-05-15 | | Release date: | 2003-07-07 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of a ternary complex of Tritrichomonas foetus inosine
5'-monophosphate dehydrogenase: NAD+ orients the active site loop for catalysis
Biochemistry, 41, 2003
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1M7A
 | | CANDIDA ALBICANS DIHYDROFOLATE REDUCTASE COMPLEXED WITH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE (NADPH) AND 7-[2-methoxy-1-(methoxymethyl)ethyl]-7H-pyrrolo[3,2-f] quinazoline-1,3-diamine (GW557) | | Descriptor: | 7-[2-METHOXY-1-(METHOXYMETHYL)ETHYL]-7H-PYRROLO[3,2-F] QUINAZOLINE-1,3-DIAMINE, DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Whitlow, M, Howard, A.J, Kuyper, L.F. | | Deposit date: | 2002-07-19 | | Release date: | 2003-03-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | X-Ray Crystallographic Studies of Candida Albicans Dihydrofolate Reductase. High Resolution Structures of the Holoenzyme and an Inhibited Ternary Complex.
J.Biol.Chem., 272, 1997
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