4R91
| BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-4-(((1S,3R)-3-(cyclopentylamino)cyclohexyl)methyl)-1-methyl-5-oxoimidazolidin-2-iminium | Descriptor: | (2E,5R)-5-(2-cyclohexylethyl)-5-{[(1S,3R)-3-(cyclopentylamino)cyclohexyl]methyl}-2-imino-3-methylimidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID | Authors: | Orth, P, Caldwell, J.P, Strickland, C. | Deposit date: | 2014-09-03 | Release date: | 2014-11-05 | Last modified: | 2014-12-17 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Discovery of potent iminoheterocycle BACE1 inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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4RG4
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4QTJ
| Complex of WOPR domain of Wor1 in Candida albicans with the 13bp dsDNA | Descriptor: | DNA (5'-D(*AP*AP*AP*AP*GP*TP*TP*TP*AP*AP*CP*TP*T)-3'), DNA (5'-D(*AP*AP*GP*TP*TP*AP*AP*AP*CP*TP*TP*TP*T)-3'), White-opaque regulator 1 | Authors: | Zhang, S, Zhang, T, Ding, J. | Deposit date: | 2014-07-08 | Release date: | 2014-08-13 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of the WOPR-DNA complex and implications for Wor1 function in white-opaque switching of Candida albicans. Cell Res., 24, 2014
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4QQ3
| Inosine 5'-monophosphate dehydrogenase from Vibrio cholerae, deletion mutant, in complex with XMP | Descriptor: | CHLORIDE ION, Inosine-5'-monophosphate dehydrogenase, XANTHOSINE-5'-MONOPHOSPHATE | Authors: | Osipiuk, J, Maltseva, N, Makowska-Grzyska, M, Gu, M, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2014-06-26 | Release date: | 2014-07-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Inosine 5'-monophosphate dehydrogenase from vibrio cholerae, deletion mutant, in complex with xmp To be Published
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4R73
| Structure of the periplasmic binding protein AfuA from Actinobacillus pleuropneumoniae (endogenous glucose-6-phosphate and mannose-6-phosphate bound) | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, 6-O-phosphono-alpha-D-mannopyranose, ABC-type Fe3+ transport system, ... | Authors: | Calmettes, C, Tang, C, Sit, B, Moraes, T.F. | Deposit date: | 2014-08-26 | Release date: | 2015-08-12 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Active Transport of Phosphorylated Carbohydrates Promotes Intestinal Colonization and Transmission of a Bacterial Pathogen. Plos Pathog., 11, 2015
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4QQK
| Human HMT1 hnRNP methyltransferase-like protein 6 (S. cerevisiae) with GMS | Descriptor: | (5S)-5-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}-N~6~-carbamimidoyl-L-lysine, GLYCEROL, Protein arginine N-methyltransferase 6, ... | Authors: | Dong, A, Zeng, H, He, H, Wernimont, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Luo, M, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2014-06-27 | Release date: | 2014-07-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Structural basis of arginine asymmetrical dimethylation by PRMT6. Biochem. J., 473, 2016
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4R0C
| Crystal structure of the Alcanivorax borkumensis YdaH transporter reveals an unusual topology | Descriptor: | AbgT putative transporter family, DODECYL-BETA-D-MALTOSIDE, SODIUM ION, ... | Authors: | Su, C.-C, Bolla, J.R, Yu, E.W. | Deposit date: | 2014-07-30 | Release date: | 2015-04-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.963 Å) | Cite: | Crystal structure of the Alcanivorax borkumensis YdaH transporter reveals an unusual topology. Nat Commun, 6, 2015
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4R38
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4R7M
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4R7G
| Determination of the formylglycinamide ribonucleotide amidotransferase ammonia pathway by combining 3D-RISM theory with experiment | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Phosphoribosylformylglycinamidine synthase, ... | Authors: | Tanwar, A.S, Sindhikara, D.J, Hirata, F, Anand, R. | Deposit date: | 2014-08-27 | Release date: | 2015-01-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Determination of the formylglycinamide ribonucleotide amidotransferase ammonia pathway by combining 3D-RISM theory with experiment. Acs Chem.Biol., 10, 2015
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4RDO
| Structure of YTH-YTHDF2 in the free state | Descriptor: | SULFATE ION, YTH domain-containing family protein 2 | Authors: | Li, F.D, Zhao, D.B, Wu, J.H, Shi, Y.Y. | Deposit date: | 2014-09-19 | Release date: | 2014-12-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure of the YTH domain of human YTHDF2 in complex with an m(6)A mononucleotide reveals an aromatic cage for m(6)A recognition. Cell Res., 24, 2014
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4RE8
| Crystal Structure of TR3 LBD in complex with Molecule 5 | Descriptor: | 1-(3,4,5-trihydroxyphenyl)dodecan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | Authors: | Li, F.W, Cai, Q.X, Li, A.Z, Tian, X.Y, Weijia, W, Yuan, W, Hou, P.P, Wu, Q, Lin, T.W. | Deposit date: | 2014-09-22 | Release date: | 2015-09-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Induction of Autophagic Death in Cancer Cells by Agonizing TR3 and Attenuating Akt2 Activity Chem.Biol., 22, 2015
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4R95
| BACE-1 in complex with 2-(((1R,3S)-3-(((R)-4-(2-cyclohexylethyl)-2-iminio-1-methyl-5-oxoimidazolidin-4-yl)methyl)cyclohexyl)amino)quinolin-1-ium | Descriptor: | (2E,5R)-5-(2-cyclohexylethyl)-2-imino-3-methyl-5-{[(1S,3R)-3-(quinolin-2-ylamino)cyclohexyl]methyl}imidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID | Authors: | Orth, P, Strickland, C, Caldwell, J.P. | Deposit date: | 2014-09-03 | Release date: | 2014-11-05 | Last modified: | 2014-12-17 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Discovery of potent iminoheterocycle BACE1 inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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4R0B
| Structure of dimeric human glycodelin | Descriptor: | Glycodelin | Authors: | Schiefner, A, Skerra, A. | Deposit date: | 2014-07-30 | Release date: | 2014-12-10 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | The dimeric crystal structure of the human fertility lipocalin glycodelin reveals a protein scaffold for the presentation of complex glycans. Biochem.J., 466, 2015
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4R3H
| The crystal structure of an apo RNA binding protein | Descriptor: | SULFATE ION, UNKNOWN ATOM OR ION, YTH domain-containing protein 1 | Authors: | Xu, C, Liu, K, Tempel, W, Li, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2014-08-15 | Release date: | 2014-09-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for selective binding of m(6)A RNA by the YTHDC1 YTH domain. Nat.Chem.Biol., 10, 2014
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4R92
| BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-4-(((1S,3R)-3-(isonicotinamido)cyclohexyl)methyl)-1-methyl-5-oxoimidazolidin-2-iminium | Descriptor: | Beta-secretase 1, L(+)-TARTARIC ACID, N-[(1R,3S)-3-{[(2E,4R)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]pyridine-4-carboxamide | Authors: | Orth, P, Strickland, C, Caldwell, J.P. | Deposit date: | 2014-09-03 | Release date: | 2014-11-05 | Last modified: | 2014-12-17 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Discovery of potent iminoheterocycle BACE1 inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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4RBV
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4RCE
| Crystal structure of BACE1 in complex with aminooxazoline xanthene inhibitor 2 | Descriptor: | (4S)-2'-(2,2-dimethylpropoxy)-7'-(pyrimidin-5-yl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine, Beta-secretase 1, IODIDE ION | Authors: | Whittington, D.A, Long, A.M. | Deposit date: | 2014-09-15 | Release date: | 2014-12-24 | Last modified: | 2015-01-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Lead Optimization and Modulation of hERG Activity in a Series of Aminooxazoline Xanthene beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE1) Inhibitors. J.Med.Chem., 57, 2014
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4RDN
| Structure of YTH-YTHDF2 in complex with m6A | Descriptor: | N-methyladenosine, SULFATE ION, YTH domain-containing family protein 2 | Authors: | Li, F.D, Zhao, D.B, Wu, J.H, Shi, Y.Y. | Deposit date: | 2014-09-19 | Release date: | 2014-12-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of the YTH domain of human YTHDF2 in complex with an m(6)A mononucleotide reveals an aromatic cage for m(6)A recognition. Cell Res., 24, 2014
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4QVC
| E.coli Hfq in complex with RNA Aus | Descriptor: | RNA (5'-R(*AP*U*AP*AP*CP*UP*A)-3'), RNA-binding protein Hfq | Authors: | Wang, L.J, Wang, W.W, Li, F.D, Wu, J.H, Gong, Q.G, Shi, Y.Y. | Deposit date: | 2014-07-14 | Release date: | 2015-05-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structural insights into the recognition of the internal A-rich linker from OxyS sRNA by Escherichia coli Hfq Nucleic Acids Res., 43, 2015
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4R72
| Structure of the periplasmic binding protein AfuA from Actinobacillus pleuropneumoniae (apo form) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ABC-type Fe3+ transport system, periplasmic component, ... | Authors: | Sit, B, Calmettes, C, Moraes, T.F. | Deposit date: | 2014-08-26 | Release date: | 2015-08-12 | Last modified: | 2015-09-02 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Active Transport of Phosphorylated Carbohydrates Promotes Intestinal Colonization and Transmission of a Bacterial Pathogen. Plos Pathog., 11, 2015
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4RCD
| Crystal structure of BACE1 in complex with a 2-aminooxazoline 4-azaxanthene inhibitor | Descriptor: | (5S)-7-(2-fluoropyridin-3-yl)-3-[(3-methyloxetan-3-yl)ethynyl]spiro[chromeno[2,3-b]pyridine-5,4'-[1,3]oxazol]-2'-amine, Beta-secretase 1, GLYCEROL, ... | Authors: | Whittington, D.A, Long, A.M. | Deposit date: | 2014-09-15 | Release date: | 2015-01-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Inhibitors of beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE1): Identification of (S)-7-(2-Fluoropyridin-3-yl)-3-((3-methyloxetan-3-yl)ethynyl)-5'H-spiro[chromeno[2,3-b]pyridine-5,4'-oxazol]-2'-amine (AMG-8718). J.Med.Chem., 57, 2014
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4QXL
| Crystal Structure of FLHE | Descriptor: | Flagellar protein flhE | Authors: | Lee, J, Monzingo, A.F, Keatinge-Clay, A.T, Harshey, R.M. | Deposit date: | 2014-07-21 | Release date: | 2015-01-14 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.512 Å) | Cite: | Structure of Salmonella FlhE, Conserved Member of a Flagellar Type III Secretion Operon. J.Mol.Biol., 427, 2015
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4QQ6
| Crystal Structure of tudor domain of SMN1 in complex with a small organic molecule | Descriptor: | 4-methyl-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1H)-imine, Survival motor neuron protein, UNKNOWN ATOM OR ION | Authors: | Liu, Y, Tempel, W, Iqbal, A, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2014-06-26 | Release date: | 2014-08-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A small molecule antagonist of SMN disrupts the interaction between SMN and RNAP II. Nat Commun, 13, 2022
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4R8Y
| BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-4-(((R)-1-(2-cyclopentylacetyl)pyrrolidin-3-yl)methyl)-1-methyl-5-oxoimidazolidin-2-iminium | Descriptor: | (2E,5R)-5-(2-cyclohexylethyl)-5-{[(3R)-1-(cyclopentylacetyl)pyrrolidin-3-yl]methyl}-2-imino-3-methylimidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID | Authors: | Orth, P, Caldwell, J.P, Strickland, C. | Deposit date: | 2014-09-03 | Release date: | 2014-11-05 | Last modified: | 2014-12-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of potent iminoheterocycle BACE1 inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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