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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1DR2
 | | 2.3 ANGSTROMS CRYSTAL STRUCTURE OF CHICKEN LIVER DIHYDROFOLATE REDUCTASE COMPLEXED WITH THIONADP+ AND BIOPTERIN | | Descriptor: | 7-THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, CALCIUM ION, DIHYDROFOLATE REDUCTASE | | Authors: | Mctigue, M.A, Davies /II, J.F, Kaufman, B.T, Xuong, N.-H, Kraut, J. | | Deposit date: | 1992-03-14 | | Release date: | 1993-10-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures of chicken liver dihydrofolate reductase: binary thioNADP+ and ternary thioNADP+.biopterin complexes.
Biochemistry, 32, 1993
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8FJ0
 | | Crystal Structure of the Tick Evasin EVA-AAM1001(Y44A) Complexed to Human Chemokine CCL2 | | Descriptor: | C-C motif chemokine 2, Evasin P1243 | | Authors: | Devkota, S.R, Bhusal, R.P, Aryal, P, Wilce, M.C.J, Stone, M.J. | | Deposit date: | 2022-12-18 | | Release date: | 2023-03-29 | | Last modified: | 2023-07-26 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Engineering broad-spectrum inhibitors of inflammatory chemokines from subclass A3 tick evasins.
Nat Commun, 14, 2023
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4PU8
 | | Shewanella oneidensis Toxin Antitoxin System Antitoxin Protein HipB Resolution 2.35 | | Descriptor: | Toxin-antitoxin system antidote transcriptional repressor Xre family | | Authors: | Wen, Y, Behiels, E, Felix, J, Elegheert, J, Vergauwen, B, Devreese, B, Savvides, S. | | Deposit date: | 2014-03-12 | | Release date: | 2014-08-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | The bacterial antitoxin HipB establishes a ternary complex with operator DNA and phosphorylated toxin HipA to regulate bacterial persistence.
Nucleic Acids Res., 42, 2014
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3TFY
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3TGQ
 | | Crystal structure of unliganded HIV-1 clade B strain YU2 gp120 core | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 YU2 gp120 | | Authors: | Kwon, Y.D, Kwong, P.D. | | Deposit date: | 2011-08-17 | | Release date: | 2012-04-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Unliganded HIV-1 gp120 core structures assume the CD4-bound conformation with regulation by quaternary interactions and variable loops.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3TGS
 | | Crystal structure of HIV-1 clade C strain C1086 gp120 core in complex with NBD-556 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 clade C1086 gp120 core, N-(4-chlorophenyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanediamide | | Authors: | Kwon, Y.D, Kwong, P.D. | | Deposit date: | 2011-08-17 | | Release date: | 2012-04-04 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Unliganded HIV-1 gp120 core structures assume the CD4-bound conformation with regulation by quaternary interactions and variable loops.
Proc.Natl.Acad.Sci.USA, 109, 2012
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8FK9
 | | Crystal Structure of the Tick Evasin EVA-ACA1001 Complexed to Human Chemokine CCL16 | | Descriptor: | C-C motif chemokine 16, Evasin P991 | | Authors: | Devkota, S.R, Bhusal, R.P, Aryal, P, Wilce, M.C.J, Stone, M.J. | | Deposit date: | 2022-12-21 | | Release date: | 2024-01-17 | | Last modified: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis of chemokine recognition by the class A3 tick evasin EVA-ACA1001.
Protein Sci., 33, 2024
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8S6H
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4PU3
 | | Shewanella oneidensis MR-1 Toxin Antitoxin System HipA, HipB and its operator DNA complex (space group P212121) | | Descriptor: | Operator DNA, Toxin-antitoxin system antidote transcriptional repressor Xre family, Toxin-antitoxin system toxin HipA family | | Authors: | Wen, Y, Behiels, E, Felix, J, Elegheert, J, Vergauwen, B, Devreese, B, Savvides, S. | | Deposit date: | 2014-03-12 | | Release date: | 2014-08-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.39 Å) | | Cite: | The bacterial antitoxin HipB establishes a ternary complex with operator DNA and phosphorylated toxin HipA to regulate bacterial persistence.
Nucleic Acids Res., 42, 2014
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8AXW
 | | The structure of mouse AsterC (GramD1c) with Ezetimibe | | Descriptor: | (3~{R},4~{S})-1-(4-fluorophenyl)-3-[(3~{S})-3-(4-fluorophenyl)-3-oxidanyl-propyl]-4-(4-hydroxyphenyl)azetidin-2-one, CHLORIDE ION, ETHANOL, ... | | Authors: | Fairall, L, Xiao, X, Burger, L, Tontonoz, P, Schwabe, J.W.R. | | Deposit date: | 2022-09-01 | | Release date: | 2023-09-13 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Aster-dependent nonvesicular transport facilitates dietary cholesterol uptake.
Science, 382, 2023
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1DR3
 | | 2.3 ANGSTROMS CRYSTAL STRUCTURE OF CHICKEN LIVER DIHYDROFOLATE REDUCTASE COMPLEXED WITH THIONADP+ AND BIOPTERIN | | Descriptor: | 7,8-DIHYDROBIOPTERIN, 7-THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, CALCIUM ION, ... | | Authors: | Mctigue, M.A, Davies /II, J.F, Kaufman, B.T, Xuong, N.-H, Kraut, J. | | Deposit date: | 1992-03-14 | | Release date: | 1993-10-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures of chicken liver dihydrofolate reductase: binary thioNADP+ and ternary thioNADP+.biopterin complexes.
Biochemistry, 32, 1993
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8RDF
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8RDA
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3TGR
 | | Crystal structure of unliganded HIV-1 clade C strain C1086 gp120 core | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 clade C1086 gp120 | | Authors: | Kwon, Y.D, Kwong, P.D. | | Deposit date: | 2011-08-17 | | Release date: | 2012-04-04 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Unliganded HIV-1 gp120 core structures assume the CD4-bound conformation with regulation by quaternary interactions and variable loops.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3TGT
 | | Crystal structure of unliganded HIV-1 clade A/E strain 93TH057 gp120 core | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 clade A/E 93TH057 gp120 | | Authors: | Kwon, Y.D, Kwong, P.D. | | Deposit date: | 2011-08-17 | | Release date: | 2012-04-04 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Unliganded HIV-1 gp120 core structures assume the CD4-bound conformation with regulation by quaternary interactions and variable loops.
Proc.Natl.Acad.Sci.USA, 109, 2012
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8FK8
 | | Crystal Structure of the Tick Evasin EVA-AAM1001(L39P) Complexed to Human Chemokine CCL7 | | Descriptor: | C-C motif chemokine 7, Evasin P1243 | | Authors: | Devkota, S.R, Bhusal, R.P, Aryal, P, Wilce, M.C.J, Stone, M.J. | | Deposit date: | 2022-12-20 | | Release date: | 2023-03-29 | | Last modified: | 2023-07-26 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Engineering broad-spectrum inhibitors of inflammatory chemokines from subclass A3 tick evasins.
Nat Commun, 14, 2023
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8FJ3
 | | Crystal Structure of the Tick Evasin EVA-AAM1001 Complexed to Human Chemokine CCL7(Y13A) | | Descriptor: | C-C motif chemokine 7, Evasin P1243 | | Authors: | Devkota, S.R, Bhusal, R.P, Aryal, P, Wilce, M.C.J, Stone, M.J. | | Deposit date: | 2022-12-19 | | Release date: | 2023-03-29 | | Last modified: | 2023-07-26 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Engineering broad-spectrum inhibitors of inflammatory chemokines from subclass A3 tick evasins.
Nat Commun, 14, 2023
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8FJ2
 | | Crystal Structure of the Tick Evasin EVA-AAM1001(C8) Complexed to Human Chemokine CCL17 | | Descriptor: | C-C motif chemokine 17, Evasin P1243 | | Authors: | Devkota, S.R, Bhusal, R.P, Aryal, P, Wilce, M.C.J, Stone, M.J. | | Deposit date: | 2022-12-19 | | Release date: | 2023-03-29 | | Last modified: | 2023-07-26 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Engineering broad-spectrum inhibitors of inflammatory chemokines from subclass A3 tick evasins.
Nat Commun, 14, 2023
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7ZH8
 | | DYRK1a in Complex with a Bromo-Triazolo-Pyridine | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 6-bromanyl-3H-[1,2,3]triazolo[4,5-b]pyridine, CHLORIDE ION, ... | | Authors: | Dammann, M, Stahlecker, J, Stehle, T, Boeckler, F.M. | | Deposit date: | 2022-04-05 | | Release date: | 2022-11-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Screening of a Halogen-Enriched Fragment Library Leads to Unconventional Binding Modes.
J.Med.Chem., 65, 2022
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5MF1
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8GL7
 | | AncAR1 - progesterone - Tif2 | | Descriptor: | Ancestral androgen receptor, GLYCEROL, Nuclear receptor coactivator 2, ... | | Authors: | Little, M.M, Ortlund, E.A. | | Deposit date: | 2023-03-21 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Evolutionary tuning of a key helix drove androgen selectivity
To Be Published
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4CRJ
 | | Staphylococcus aureus 7,8-Dihydro-6-hydroxymethylpterin- pyrophosphokinase in complex with AMPCPP and an inhibitor | | Descriptor: | 2-amino-8-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,9-dihydro-6H-purin-6-one, 7,8-DIHYDRO-6-HYDROXYMETHYLPTERIN-PYROPHOSPHOKINASE (HPPK), DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ... | | Authors: | Dennis, M.L, Swarbrick, J.D, Peat, T.S. | | Deposit date: | 2014-02-27 | | Release date: | 2015-01-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-Based Design and Development of Functionalized Mercaptoguanine Derivatives as Inhibitors of the Folate Biosynthesis Pathway Enzyme 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase from Staphylococcus Aureus.
J.Med.Chem., 57, 2014
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3W0M
 | | Crystal structure of a thermostable mutant of aminoglycoside phosphotransferase APH(4)-Ia, apo form | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Hygromycin-B 4-O-kinase | | Authors: | Iino, D, Takakura, Y, Fukano, K, Sasaki, Y, Hoshino, T, Ohsawa, K, Nakamura, A, Yajima, S. | | Deposit date: | 2012-11-02 | | Release date: | 2013-08-07 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structures of the ternary complex of APH(4)-Ia/Hph with hygromycin B and an ATP analog using a thermostable mutant.
J.Struct.Biol., 183, 2013
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4OUG
 | | Crystal structure of the ternary complex of camel peptidoglycan recognition protein, PGRP-S with lipopolysaccharide and palmitic acid at 2.46 A resolution | | Descriptor: | (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, GLYCEROL, L(+)-TARTARIC ACID, ... | | Authors: | Yamini, S, Sharma, P, Yadav, S.P, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2014-02-17 | | Release date: | 2014-03-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Crystal structure of the ternary complex of camel peptidoglycan recognition protein, PGRP-S with lipopolysaccharide and palmitic acid at 2.46 A resolution
To be Published
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