7MYM
 
 | | Crystal structure of Escherichia coli dihydrofolate reductase in complex with TRIMETHOPRIM and NADPH | | Descriptor: | ARGININE, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Erlandsen, H, Wright, D, Krucinska, J. | | Deposit date: | 2021-05-21 | | Release date: | 2022-06-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.04 Å) | | Cite: | Structure-guided functional studies of plasmid-encoded dihydrofolate reductases reveal a common mechanism of trimethoprim resistance in Gram-negative pathogens.
Commun Biol, 5, 2022
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4UPP
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with N'-[4-[[(2S,4R)-4-[3-[(C-thiophen-2-ylcarbonimidoyl)amino]phenoxy]pyrrolidin-2-yl]methoxy]phenyl]thiophene-2-carboximidamide | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N'-[4-[[(2S,4R)-4-[3-[(C-thiophen-2-ylcarbonimidoyl)amino]phenoxy]pyrrolidin-2-yl]methoxy]phenyl]thiophene-2-carboximidamide, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2014-06-17 | | Release date: | 2014-08-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Combination of Chiral Linkers with Thiophenecarboximidamide Heads to Improve the Selectivity of Inhibitors of Neuronal Nitric Oxide Synthase.
Bioorg.Med.Chem.Lett., 24, 2014
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4UPF
 | | Assembly principles of the unique cage formed by the ATPase RavA hexamer and the lysine decarboxylase LdcI decamer | | Descriptor: | ATPASE RAVA, LYSINE DECARBOXYLASE, INDUCIBLE | | Authors: | Malet, H, Liu, K, El Bakkouri, M, Chan, S.W.S, Effantin, G, Bacia, M, Houry, W.A, Gutsche, I. | | Deposit date: | 2014-06-16 | | Release date: | 2014-08-20 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (7.5 Å) | | Cite: | Assembly Principles of a Unique Cage Formed by Hexameric and Decameric E. Coli Proteins.
Elife, 3, 2014
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7N8T
 | | Crystal Structure of AMP-bound Human JNK2 | | Descriptor: | ADENOSINE MONOPHOSPHATE, HEXAETHYLENE GLYCOL, Mitogen-activated protein kinase 9 | | Authors: | Li, L, Gurbani, D, Westover, K.D. | | Deposit date: | 2021-06-15 | | Release date: | 2022-06-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Development of a Covalent Inhibitor of c-Jun N-Terminal Protein Kinase (JNK) 2/3 with Selectivity over JNK1.
J.Med.Chem., 66, 2023
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7N9H
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4UFX
 | | Plasmodium vivax N-myristoyltransferase in complex with a pyridyl inhibitor (compound 19) | | Descriptor: | 2-oxopentadecyl-CoA, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Yu, Z, Brannigan, J.A, Rangachari, K, Heal, W.P, Wilkinson, A.J, Holder, A.A, Tate, E.W, Leatherbarrow, R.J. | | Deposit date: | 2015-03-19 | | Release date: | 2016-02-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Discovery of Pyridyl-Based Inhibitors of Plasmodium Falciparum N-Myristoyltransferase
Medchemcomm, 6, 2015
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4UH0
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with N1-(6-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)pyridin-2- yl)-N1,N2-dimethylethane-1,2-diamine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N'-[6-[2-(6-AZANYL-4-METHYL-PYRIDIN-2-YL)ETHYL]PYRIDIN-2-YL]-N,N'-DIMETHYL-ETHANE-1,2-DIAMINE, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2015-03-23 | | Release date: | 2015-07-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.039 Å) | | Cite: | 2-Aminopyridines with a Truncated Side Chain to Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity.
J.Med.Chem., 58, 2015
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4UF2
 | | Deerpox virus DPV022 in complex with Bax BH3 | | Descriptor: | Antiapoptotic membrane protein, Apoptosis regulator BAX | | Authors: | Burton, D.R, Kvansakul, M. | | Deposit date: | 2014-12-23 | | Release date: | 2015-08-05 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural Basis of Deerpox Virus-Mediated Inhibition of Apoptosis.
Acta Crystallogr.,Sect.D, 71, 2015
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4UF3
 | | Deerpox virus DPV022 in complex with Bim BH3 | | Descriptor: | Antiapoptotic membrane protein, Bcl-2-like protein 11 | | Authors: | Burton, D.R, Kvansakul, M. | | Deposit date: | 2014-12-23 | | Release date: | 2015-08-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural Basis of Deerpox Virus-Mediated Inhibition of Apoptosis.
Acta Crystallogr.,Sect.D, 71, 2015
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7NAE
 | | Crystal structure of Escherichia coli dihydrofolate reductase in complex with TRIMETHOPRIM | | Descriptor: | Dihydrofolate reductase, SULFATE ION, TRIMETHOPRIM | | Authors: | Estrada, A, Wright, D, Krucinska, J, Erlandsen, H. | | Deposit date: | 2021-06-21 | | Release date: | 2022-06-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure-guided functional studies of plasmid-encoded dihydrofolate reductases reveal a common mechanism of trimethoprim resistance in Gram-negative pathogens.
Commun Biol, 5, 2022
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4UFV
 | | Plasmodium vivax N-myristoyltransferase in complex with a pyridyl inhibitor (compound 18) | | Descriptor: | 2-oxopentadecyl-CoA, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Yu, Z, Brannigan, J.A, Rangachari, K, Heal, W.P, Wilkinson, A.J, Holder, A.A, Tate, E.W, Leatherbarrow, R.J. | | Deposit date: | 2015-03-19 | | Release date: | 2016-02-03 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Discovery of Pyridyl-Based Inhibitors of Plasmodium Falciparum N-Myristoyltransferase
Medchemcomm, 6, 2015
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7N2T
 | | O-acetylserine sulfhydrylase from Citrullus vulgaris in the internal aldimine state, with citrate bound | | Descriptor: | CITRIC ACID, Cysteine synthase, PENTAETHYLENE GLYCOL, ... | | Authors: | Smith, J.L, Buller, A.R, Bingman, C.A. | | Deposit date: | 2021-05-29 | | Release date: | 2022-07-06 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Investigation of beta-Substitution Activity of O-Acetylserine Sulfhydrolase from Citrullus vulgaris.
Chembiochem, 23, 2022
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7N7V
 | | Crystal structure of TtnM, a Fe(II)-alpha-ketoglutarate-dependent hydroxylase from the tautomycetin biosynthesis pathway in Streptomyces griseochromogenes at 2 A. | | Descriptor: | CHLORIDE ION, FE (II) ION, Predicted hydroxylase | | Authors: | Han, L, Xu, W, Ma, M, Miller, M.D, Shen, B, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | Deposit date: | 2021-06-11 | | Release date: | 2022-07-06 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Structure of TtnM, a Fe(II)-alpha-ketoglutarate-dependent hydroxylase from the tautomycetin biosynthesis pathway in Streptomyces griseochromogenes.
To Be Published
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7N91
 | | P70 S6K1 IN COMPLEX WITH MSC2317067A-1 | | Descriptor: | 4-{[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino}quinazoline-8-carboxamide, Ribosomal protein S6 kinase beta-1 | | Authors: | Mochalkin, I. | | Deposit date: | 2021-06-16 | | Release date: | 2022-07-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Identification of Clinical Candidate M2698, a Dual p70S6K and Akt Inhibitor, for Treatment of PAM Pathway-Altered Cancers.
J.Med.Chem., 64, 2021
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7N93
 | | P70 S6K1 IN COMPLEX WITH MSC2363318A-1 | | Descriptor: | 4-({(1S)-2-(azetidin-1-yl)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl}amino)quinazoline-8-carboxamide, Ribosomal protein S6 kinase beta-1 | | Authors: | Mochalkin, I. | | Deposit date: | 2021-06-16 | | Release date: | 2022-07-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Identification of Clinical Candidate M2698, a Dual p70S6K and Akt Inhibitor, for Treatment of PAM Pathway-Altered Cancers.
J.Med.Chem., 64, 2021
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1B3Z
 | | XYLANASE FROM PENICILLIUM SIMPLICISSIMUM, COMPLEX WITH XYLOPENTAOSE | | Descriptor: | PROTEIN (XYLANASE), beta-D-xylopyranose, beta-D-xylopyranose-(1-4)-alpha-D-xylopyranose, ... | | Authors: | Schmidt, A, Kratky, C. | | Deposit date: | 1998-12-15 | | Release date: | 1999-04-06 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Xylan binding subsite mapping in the xylanase from Penicillium simplicissimum using xylooligosaccharides as cryo-protectant.
Biochemistry, 38, 1999
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7N5Q
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7N7G
 | | Crystal Structure of FosB from Enterococcus faecium with Fosfomycin | | Descriptor: | 1,2-ETHANEDIOL, FOSFOMYCIN, MANGANESE (II) ION, ... | | Authors: | Shay, M.R, Simmons, Z, Thompson, M.K. | | Deposit date: | 2021-06-10 | | Release date: | 2022-07-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and functional characterization of fosfomycin resistance conferred by FosB from Enterococcus faecium.
Protein Sci., 31, 2022
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1BB5
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1BDH
 | | PURINE REPRESSOR MUTANT-HYPOXANTHINE-PALINDROMIC OPERATOR COMPLEX | | Descriptor: | DNA (5'-D(*TP*AP*CP*GP*CP*AP*AP*AP*CP*GP*TP*TP*TP*GP*CP*GP*T )-3'), HYPOXANTHINE, PROTEIN (PURINE REPRESSOR) | | Authors: | Glasfeld, A, Schumacher, M.A, Choi, K.Y, Zalkin, H, Brennan, R.G. | | Deposit date: | 1996-07-25 | | Release date: | 1997-04-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | A Positively Charged Residue Bound in the Minor Groove Does not Alter the Bending of a DNA Duplex
J.Am.Chem.Soc., 118, 1996
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7N6C
 | | Crystal structure of R22A human Galectin-7 mutant | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Pham, N.T.H, Calmettes, C, Doucet, N. | | Deposit date: | 2021-06-08 | | Release date: | 2023-01-25 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of R20A human Galectin-7 mutant
To Be Published
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7N96
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1WT3
 | | Mutant human ABO(H) blood group glycosyltransferase with bound UDP and acceptor | | Descriptor: | Histo-blood group ABO system transferase, MERCURY (II) ION, URIDINE-5'-DIPHOSPHATE, ... | | Authors: | Lee, H.J, Barry, C.H, Borisova, S.N, Seto, N.O.L, Zheng, R.B, Blancher, A, Evans, S.V, Palcic, M.M. | | Deposit date: | 2004-11-12 | | Release date: | 2004-12-03 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis for the inactivity of human blood group o2 glycosyltransferase
J.Biol.Chem., 280, 2005
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7N4O
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7N8G
 | | Crystal structure of R20A-R22A human Galectin-7 mutant | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ... | | Authors: | Pham, N.T.H, Calmettes, C, Doucet, N. | | Deposit date: | 2021-06-14 | | Release date: | 2023-01-25 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of R20A human Galectin-7 mutant
To Be Published
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