3JX5
| Structure of rat neuronal nitric oxide synthase D597N/M336V mutant heme domain in complex with N1-{(3'S,4'R)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-{(3S,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine, ... | Authors: | Delker, S.L, Li, H, Poulos, T.L. | Deposit date: | 2009-09-18 | Release date: | 2010-05-05 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Unexpected binding modes of nitric oxide synthase inhibitors effective in the prevention of a cerebral palsy phenotype in an animal model. J.Am.Chem.Soc., 132, 2010
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6NW7
| Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with S-Adenosyl-L-homocysteine | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | Deposit date: | 2019-02-06 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.481 Å) | Cite: | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification. Nucleic Acids Res., 48, 2020
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4N3A
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4N3C
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6NV7
| BACE1 in complex with a macrocyclic inhibitor | Descriptor: | (E)-N-(2-methylpropylidene)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-D-threoninamide, Beta-secretase 1 | Authors: | Yen, Y.C, Ghosh, A.K, Mesecar, A.D. | Deposit date: | 2019-02-04 | Release date: | 2019-10-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.132 Å) | Cite: | Development of an Efficient Enzyme Production and Structure-Based Discovery Platform for BACE1 Inhibitors. Biochemistry, 58, 2019
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3JWT
| Structure of rat neuronal nitric oxide synthase R349A mutant heme domain in complex with N1-{(3'R,4'R)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-{(3R,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine, ... | Authors: | Delker, S.L, Li, H, Poulos, T.L. | Deposit date: | 2009-09-18 | Release date: | 2010-05-05 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Unexpected binding modes of nitric oxide synthase inhibitors effective in the prevention of a cerebral palsy phenotype in an animal model. J.Am.Chem.Soc., 132, 2010
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3JX1
| Structure of rat neuronal nitric oxide synthase D597N mutant heme domain in complex with N1-{(3'R,4'R)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-{(3R,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine, ... | Authors: | Delker, S.L, Li, H, Poulos, T.L. | Deposit date: | 2009-09-18 | Release date: | 2010-05-05 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Unexpected binding modes of nitric oxide synthase inhibitors effective in the prevention of a cerebral palsy phenotype in an animal model. J.Am.Chem.Soc., 132, 2010
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6NW6
| Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with S-Adenosyl methionine | Descriptor: | S-ADENOSYLMETHIONINE, SULFATE ION, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | Deposit date: | 2019-02-06 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification. Nucleic Acids Res., 48, 2020
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5ER2
| High-resolution X-ray diffraction study of the complex between endothiapepsin and an oligopeptide inhibitor. the analysis of the inhibitor binding and description of the rigid body shift in the enzyme | Descriptor: | 6-ammonio-N-{[(2R,3R)-3-{[N-(tert-butoxycarbonyl)-L-phenylalanyl-3-(1H-imidazol-3-ium-4-yl)-L-alanyl]amino}-4-cyclohexyl-2-hydroxybutyl](2-methylpropyl)carbamoyl}-L-norleucyl-L-phenylalanine, ENDOTHIAPEPSIN | Authors: | Sali, A, Veerapandian, B, Cooper, J.B, Foundling, S.I, Hoover, D.J, Blundell, T.L. | Deposit date: | 1991-01-02 | Release date: | 1991-04-15 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | High-resolution X-ray diffraction study of the complex between endothiapepsin and an oligopeptide inhibitor: the analysis of the inhibitor binding and description of the rigid body shift in the enzyme. EMBO J., 8, 1989
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6JX1
| Crystal structure of Formate dehydrogenase mutant V198I/C256I/P260S/E261P/S381N/S383F from Pseudomonas sp. 101 | Descriptor: | Formate dehydrogenase, GLYCEROL | Authors: | Feng, Y, Xue, S, Guo, X, Zhao, Z. | Deposit date: | 2019-04-21 | Release date: | 2020-05-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.233 Å) | Cite: | Structure-Guided Design of Formate Dehydrogenase for Regeneration of a Non-Natural Redox Cofactor. Chemistry, 26, 2020
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6JUK
| Crystal structure of Formate dehydrogenase mutant C256I/E261P/S381I from Pseudomonas sp. 101 in complex with non-natural cofactor Nicotinamide Cytosine Dinucleotide | Descriptor: | Formate dehydrogenase, GLYCEROL, [[(2S,3S,4R,5S)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3S,4R,5S)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | Authors: | Feng, Y, Xue, S, Guo, X, Zhao, Z. | Deposit date: | 2019-04-14 | Release date: | 2020-05-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.293 Å) | Cite: | Structure-Guided Design of Formate Dehydrogenase for Regeneration of a Non-Natural Redox Cofactor. Chemistry, 26, 2020
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7KZE
| Substrate-dependent divergence of leukotriene A4 hydrolase aminopeptidase activity | Descriptor: | 1-benzyl-4-methoxybenzene, Leukotriene A-4 hydrolase, TRIETHYLENE GLYCOL, ... | Authors: | Lee, K.H, Shim, Y, Paige, M, Noble, S.M. | Deposit date: | 2020-12-10 | Release date: | 2022-06-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Substrate-dependent modulation of the leukotriene A 4 hydrolase aminopeptidase activity and effect in a murine model of acute lung inflammation. Sci Rep, 12, 2022
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6BTE
| DNA Polymerase Beta I260Q Binary Complex | Descriptor: | CHLORIDE ION, DNA Downstream Strand, DNA Primer Strand, ... | Authors: | Eckenroth, B.E, Doublie, S. | Deposit date: | 2017-12-06 | Release date: | 2018-09-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | I260Q DNA polymerase beta highlights precatalytic conformational rearrangements critical for fidelity. Nucleic Acids Res., 46, 2018
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6GRE
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7WEX
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1L0Q
| Tandem YVTN beta-propeller and PKD domains from an archaeal surface layer protein | Descriptor: | Surface layer protein | Authors: | Jing, H, Takagi, J, Liu, J.-H, Lindgren, S, Zhang, R.-G, Joachimiak, A, Wang, J.-H, Springer, T.A. | Deposit date: | 2002-02-12 | Release date: | 2002-11-06 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Archaeal Surface Layer Proteins Contain beta Propeller, PKD, and beta Helix Domains and Are Related to Metazoan Cell Surface Proteins. Structure, 10, 2002
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5WI8
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5WNT
| Crystal Structure of 30S ribosomal subunit from Thermus thermophilus | Descriptor: | (1R,2S,3S,4R,6R)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-alpha-L-altropyranosyl)-beta-L-arabinofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-allopyranoside, 16S Ribosomal RNA rRNA, MAGNESIUM ION, ... | Authors: | DeMirci, H. | Deposit date: | 2017-08-01 | Release date: | 2018-02-21 | Last modified: | 2020-10-21 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | 2'-O-methylation in mRNA disrupts tRNA decoding during translation elongation. Nat. Struct. Mol. Biol., 25, 2018
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5WIW
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5WQE
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3RL7
| Crystal structure of hDLG1-PDZ1 complexed with APC | Descriptor: | 11-mer peptide from Adenomatous polyposis coli protein, Disks large homolog 1 | Authors: | Zhang, Z, Li, H, Wu, G. | Deposit date: | 2011-04-19 | Release date: | 2011-12-14 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Molecular basis for the recognition of adenomatous polyposis coli by the Discs Large 1 protein. Plos One, 6, 2011
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7DO4
| Crystal structure of CD97-CD55 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Niu, M, Song, G. | Deposit date: | 2020-12-11 | Release date: | 2021-09-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural basis for CD97 recognition of the decay-accelerating factor CD55 suggests mechanosensitive activation of adhesion GPCRs. J.Biol.Chem., 296, 2021
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4EO7
| Crystal structure of the TIR domain of human myeloid differentiation primary response protein 88. | Descriptor: | MAGNESIUM ION, Myeloid differentiation primary response protein MyD88 | Authors: | Snyder, G.A, Cirl, C, Jiang, J.S, Chen, P, Smith, T, Xiao, T.S. | Deposit date: | 2012-04-13 | Release date: | 2013-04-10 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.449 Å) | Cite: | Molecular mechanisms for the subversion of MyD88 signaling by TcpC from virulent uropathogenic Escherichia coli. Proc.Natl.Acad.Sci.USA, 110, 2013
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2PCC
| CRYSTAL STRUCTURE OF A COMPLEX BETWEEN ELECTRON TRANSFER PARTNERS, CYTOCHROME C PEROXIDASE AND CYTOCHROME C | Descriptor: | CYTOCHROME C PEROXIDASE, ISO-1-CYTOCHROME C, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Pelletier, H, Kraut, J. | Deposit date: | 1993-04-14 | Release date: | 1993-07-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of a complex between electron transfer partners, cytochrome c peroxidase and cytochrome c. Science, 258, 1992
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3MA7
| Crystal structure of Cardiolipin bound to mouse CD1D | Descriptor: | (2R,5R,11R,14R)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-2,14-bis(tetradecanoyloxy)-4,6,10,12,16-pentaoxa-5,11-diphosphatriacont-1-yl tetradecanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zajonc, D.M. | Deposit date: | 2010-03-23 | Release date: | 2011-03-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Cardiolipin Binds to CD1d and Stimulates CD1d-Restricted {gamma}{delta} T Cells in the Normal Murine Repertoire. J.Immunol., 186, 2011
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