4YQK
| Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds | Descriptor: | 4-amino-N-(piperidin-4-yl)-1,2,5-oxadiazole-3-carboxamide, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Elkins, P.A, Bonnette, W.G, Madauss, K.P, Stuckey, J.A. | Deposit date: | 2015-03-13 | Release date: | 2016-03-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds To Be Published
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2VK6
| THE STRUCTURE OF CLOSTRIDIUM PERFRINGENS NANI SIALIDASE AND ITS CATALYTIC INTERMEDIATES | Descriptor: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, CALCIUM ION, EXO-ALPHA-SIALIDASE, ... | Authors: | Newstead, S.L, Potter, J.A, Wilson, J.C, Xu, G, Chien, C.H, Watts, A.G, Withers, S.G, Taylor, G.L. | Deposit date: | 2007-12-17 | Release date: | 2008-01-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The Structure of Clostridium Perfringens Nani Sialidase and its Catalytic Intermediates. J.Biol.Chem., 283, 2008
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3EY0
| A new form of DNA-drug interaction in the minor groove of a coiled coil | Descriptor: | 1,5-BIS(4-AMIDINOPHENOXY)PENTANE, 5'-D(*DAP*DTP*DAP*DTP*DAP*DTP*DAP*DTP*DAP*DT)-3', MAGNESIUM ION | Authors: | Pous, J, Moreno, T, Subirana, J.A, Campos, J.L. | Deposit date: | 2008-10-17 | Release date: | 2009-10-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Coiled-coil conformation of a pentamidine-DNA complex Acta Crystallogr.,Sect.D, 66, 2010
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7S5I
| Crystal structure of Aldose-6-phosphate reductase (Ald6PRase) from peach (Prunus persica) leaves | Descriptor: | Sorbitol-6-phosphate dehydrogenase | Authors: | Zheng, Y, Bhayani, J.A, Romina, I.M, Hartman, M.D, Cereijo, A.E, Ballicora, M.A, Iglesias, A.A, Figueroa, C.M, Liu, D. | Deposit date: | 2021-09-10 | Release date: | 2022-03-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Structural Determinants of Sugar Alcohol Biosynthesis in Plants: The Crystal Structures of Mannose-6-Phosphate and Aldose-6-Phosphate Reductases. Plant Cell.Physiol., 63, 2022
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2WKB
| Crystal Structure of Macrophage Migration Inhibitory Factor from Plasmodium berghei | Descriptor: | GLYCEROL, MACROPHAGE MIGRATION INHIBITORY FACTOR | Authors: | Dobson, S.E, Augustijn, K.D, Brannigan, J.A, Dodson, E.J, Waters, A.P, Wilkinson, A.J. | Deposit date: | 2009-06-08 | Release date: | 2009-10-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | The Crystal Structures of Macrophage Migration Inhibition Factor (Mif) from Plasmodium Falciparum and Plasmodium Berghei. Protein Sci., 18, 2009
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4YW3
| Crystal Structure of Streptococcus pneumoniae NanC, complex with Neu5Ac and Neu5Ac2en following soaking with Neu5Ac2en | Descriptor: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, GLYCEROL, N-acetyl-alpha-neuraminic acid, ... | Authors: | Owen, C.D, Lukacik, P, Potter, J.A, Walsh, M, Taylor, G.L. | Deposit date: | 2015-03-20 | Release date: | 2015-09-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Streptococcus pneumoniae NanC: STRUCTURAL INSIGHTS INTO THE SPECIFICITY AND MECHANISM OF A SIALIDASE THAT PRODUCES A SIALIDASE INHIBITOR. J.Biol.Chem., 290, 2015
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4YBJ
| Type II Dasatinib Analog Crystallized with c-Src Kinase | Descriptor: | 2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-N-(3-{[3-(trifluoromethyl)benzoyl]amino}phenyl)-1,3-thiazole-5-carboxamide, Proto-oncogene tyrosine-protein kinase Src | Authors: | Kwarcinski, F.E, Brandvold, K.B, Johnson, T.K, Phadke, S, Meagher, J.L, Seeliger, M.A, Stuckey, J.A, Soellner, M.B. | Deposit date: | 2015-02-18 | Release date: | 2016-03-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Conformation-Selective Analogues of Dasatinib Reveal Insight into Kinase Inhibitor Binding and Selectivity. Acs Chem.Biol., 11, 2016
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4YPB
| Precleavage 70S structure of the P. vulgaris HigB DeltaH92 toxin bound to the AAA codon | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Schureck, M.A, Dunkle, J.A, Maehigashi, T, Dunham, C.M. | Deposit date: | 2015-03-12 | Release date: | 2015-10-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Defining the mRNA recognition signature of a bacterial toxin protein. Proc.Natl.Acad.Sci.USA, 112, 2015
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4YKU
| Heat Shock Protein 90 Bound to CS311 | Descriptor: | 6-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine, Heat shock protein HSP 90-alpha | Authors: | Kang, Y.N, Stuckey, J.A. | Deposit date: | 2015-03-04 | Release date: | 2016-03-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of Heat Shock Protein 90 Bound to CS311 To Be Published
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2WQB
| Structure of the Tie2 kinase domain in complex with a thiazolopyrimidine inhibitor | Descriptor: | 2-[3-(CYCLOHEXYLMETHYL)-5-PHENYL-IMIDAZOL-4-YL]-[1,3]THIAZOLO[4,5-E]PYRIMIDIN-7-AMINE, ANGIOPOIETIN-1 RECEPTOR | Authors: | Brassington, C, Breed, J, Buttar, D, Fitzek, M, Forder, C, Hassall, L, Hayter, B.R, Jones, C.D, Luke, R.W.A, McCall, E, McCoull, W, Norman, R, Paterson, D, McMiken, H, Rowsell, S, Tucker, J.A. | Deposit date: | 2009-08-18 | Release date: | 2009-11-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Novel Thienopyrimidine and Thiazolopyrimidine Kinase Inhibitors with Activity Against Tie-2 in Vitro and in Vivo. Bioorg.Med.Chem.Lett., 19, 2009
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7S37
| Cas9:sgRNA (S. pyogenes) in the open-protein conformation | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, Single-guide RNA | Authors: | Cofsky, J.C, Soczek, K.M, Knott, G.J, Nogales, E, Doudna, J.A. | Deposit date: | 2021-09-04 | Release date: | 2022-04-20 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | CRISPR-Cas9 bends and twists DNA to read its sequence. Nat.Struct.Mol.Biol., 29, 2022
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7S3H
| Cas9:sgRNA:DNA (S. pyogenes) with 0 RNA:DNA base pairs, open-protein/linear-DNA conformation | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, Non-target DNA strand, Single-guide RNA, ... | Authors: | Cofsky, J.C, Soczek, K.M, Knott, G.J, Nogales, E, Doudna, J.A. | Deposit date: | 2021-09-06 | Release date: | 2022-04-20 | Last modified: | 2022-05-04 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | CRISPR-Cas9 bends and twists DNA to read its sequence. Nat.Struct.Mol.Biol., 29, 2022
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7S36
| Cas9:sgRNA:DNA (S. pyogenes) with 0 RNA:DNA base pairs, closed-protein/bent-DNA conformation | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, Non-target DNA strand, Single-guide RNA, ... | Authors: | Cofsky, J.C, Soczek, K.M, Knott, G.J, Nogales, E, Doudna, J.A. | Deposit date: | 2021-09-04 | Release date: | 2022-04-20 | Last modified: | 2022-05-04 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | CRISPR-Cas9 bends and twists DNA to read its sequence. Nat.Struct.Mol.Biol., 29, 2022
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7S38
| Cas9:sgRNA:DNA (S. pyogenes) forming a 3-base-pair R-loop | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, Non-target DNA strand, Single-guide RNA, ... | Authors: | Cofsky, J.C, Soczek, K.M, Knott, G.J, Nogales, E, Doudna, J.A. | Deposit date: | 2021-09-04 | Release date: | 2022-04-20 | Last modified: | 2022-05-04 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | CRISPR-Cas9 bends and twists DNA to read its sequence. Nat.Struct.Mol.Biol., 29, 2022
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2X8P
| Crystal Structure of CbpF in Complex with Atropine by Co- Crystallization | Descriptor: | (1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE, CHOLINE ION, CHOLINE-BINDING PROTEIN F, ... | Authors: | Silva-Martin, N, Hermoso, J.A. | Deposit date: | 2010-03-10 | Release date: | 2011-04-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Crystal Structures of Cbpf Complexed with Atropine and Ipratropium Reveal Clues for the Design of Novel Antimicrobials Against Streptococcus Pneumoniae. Biochim.Biophys.Acta, 1840, 2013
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4ZN7
| Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with Diethylstilbestrol | Descriptor: | DIETHYLSTILBESTROL, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-05-04 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.934 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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4ZQ8
| Crystal structure of a terpene synthase from Streptomyces lydicus, target EFI-540129 | Descriptor: | Isoprenoid Synthase | Authors: | Toro, R, Bhosle, R, Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Poulter, C.D, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2015-05-08 | Release date: | 2015-07-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of a terpene synthase from Streptomyces lydicus, target EFI-540129 To be published
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2V4L
| complex of human phosphoinositide 3-kinase catalytic subunit gamma (p110 gamma) with PIK-284 | Descriptor: | 3-[4-AMINO-1-(1-METHYLETHYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL]PHENOL, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM | Authors: | Apsel, B, Gonzalez, B, Blair, J.A, Nazif, T.M, Feldman, M.E, Williams, R.L, Shokat, K.M, Knight, Z.A. | Deposit date: | 2008-09-25 | Release date: | 2008-10-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Targeted Polypharmacology: Discovery of Dual Inhibitors of Tyrosine and Phosphoinositide Kinases. Nat.Chem.Biol., 4, 2008
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2UWL
| Selective and Dual Action Orally Active Inhibitors of Thrombin and Factor Xa | Descriptor: | 2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHENESULFONAMIDE, COAGULATION FACTOR X | Authors: | Young, R.J, Brown, D, Burns-Kurtis, C.L, Chan, C, Convery, M.A, Hubbard, J.A, Kelly, H.A, Pateman, A.J, Patikis, A, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Zhou, P. | Deposit date: | 2007-03-22 | Release date: | 2007-04-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Selective and Dual Action Orally Active Inhibitors of Thrombin and Factor Xa. Bioorg.Med.Chem.Lett., 17, 2007
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4ZBH
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3FJ4
| Crystal structure of muconate lactonizing enzyme from Pseudomonas Fluorescens complexed with muconolactone | Descriptor: | MAGNESIUM ION, Muconate cycloisomerase, [(2S)-5-oxo-2,5-dihydrofuran-2-yl]acetic acid | Authors: | Fedorov, A.A, Fedorov, E.V, Sakai, A, Gerlt, J.A, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-12-14 | Release date: | 2009-03-31 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Evolution of enzymatic activities in the enolase superfamily: stereochemically distinct mechanisms in two families of cis,cis-muconate lactonizing enzymes Biochemistry, 48, 2009
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3FFS
| The Crystal Structure of Cryptosporidium parvum Inosine-5'-Monophosphate Dehydrogenase | Descriptor: | Inosine-5-monophosphate dehydrogenase | Authors: | Riera, T.V, D'Aquino, J.A, Lu, J, Petsko, G.A, Hedstrom, L. | Deposit date: | 2008-12-04 | Release date: | 2009-12-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | The structural basis of Cryptosporidium -specific IMP dehydrogenase inhibitor selectivity J.Am.Chem.Soc., 132, 2010
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7RVD
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7RVG
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7RVH
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