6AV0
 
 | | Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5-(3-(methylamino)propyl)benzonitrile | | Descriptor: | 3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]-5-[3-(methylamino)propyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... | | Authors: | LI, H, Poulos, T.L. | | Deposit date: | 2017-09-01 | | Release date: | 2018-07-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.996 Å) | | Cite: | Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.
J. Med. Chem., 60, 2017
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4Y1T
 | | Structural basis for Ca2+-mediated interaction of the perforin C2 domain with lipid membranes | | Descriptor: | CALCIUM ION, Perforin-1 | | Authors: | Conroy, P.J, Yagi, H, Whisstock, J.C, Norton, R.S. | | Deposit date: | 2015-02-09 | | Release date: | 2015-09-02 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.666 Å) | | Cite: | Structural Basis for Ca2+-mediated Interaction of the Perforin C2 Domain with Lipid Membranes.
J.Biol.Chem., 290, 2015
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2N82
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6AV1
 | | Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(3-(3-(Dimethylamino)propyl)-5-fluorophenethyl)-4-methylpyridin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{3-[3-(dimethylamino)propyl]-5-fluorophenyl}ethyl)-4-methylpyridin-2-amine, Nitric oxide synthase, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2017-09-01 | | Release date: | 2018-07-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.
J. Med. Chem., 60, 2017
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4Y2T
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5U36
 | | Crystal Structure Of A Mutant M. Jannashii Tyrosyl-tRNA Synthetase | | Descriptor: | Tyrosine--tRNA ligase | | Authors: | Luo, X, Fu, G, Zhu, X, Wilson, I.A, Wang, F. | | Deposit date: | 2016-12-01 | | Release date: | 2017-06-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.03 Å) | | Cite: | Genetically encoding phosphotyrosine and its nonhydrolyzable analog in bacteria.
Nat. Chem. Biol., 13, 2017
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6AXF
 | | Structure of RasGRP2 in complex with Rap1B | | Descriptor: | RAS guanyl-releasing protein 2, Ras-related protein Rap-1b | | Authors: | Kondo, Y, Iwig, J.S, Kuriyan, J. | | Deposit date: | 2017-09-06 | | Release date: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | A histidine pH sensor regulates activation of the Ras-specific guanine nucleotide exchange factor RasGRP1.
Elife, 6, 2017
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4XQF
 | | Tailspike protein mutant E372Q (delta D470/N471) of E. coli bacteriophage HK620 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, SODIUM ION, ... | | Authors: | Gohlke, U, Broeker, N.K, Heinemann, U, Seckler, R, Barbirz, S. | | Deposit date: | 2015-01-19 | | Release date: | 2016-01-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Enthalpic cost of water removal from a hydrophobic glucose binding cavity on HK620 tailspike protein.
to be published
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2NOW
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4XT9
 | | RORgamma (263-509) complexed with GSK2435341A and SRC2 | | Descriptor: | LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN, N-[4-(2,5-dichlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-2-[4-(ethylsulfonyl)phenyl]acetamide, Nuclear receptor ROR-gamma, ... | | Authors: | Wang, Y, Ma, Y. | | Deposit date: | 2015-01-23 | | Release date: | 2015-08-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Discovery of N-(4-aryl-5-aryloxy-thiazol-2-yl)-amides as potent ROR gamma t inverse agonists
Bioorg.Med.Chem., 23, 2015
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2NOX
 | | Crystal structure of tryptophan 2,3-dioxygenase from Ralstonia metallidurans | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Tryptophan 2,3-dioxygenase | | Authors: | Zhang, Y, Kang, S.A, Mukherjee, T, Bale, S, Crane, B.R, Begley, T.P, Ealick, S.E. | | Deposit date: | 2006-10-26 | | Release date: | 2006-12-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure and mechanism of tryptophan 2,3-dioxygenase, a heme enzyme involved in tryptophan catabolism and in quinolinate biosynthesis.
Biochemistry, 46, 2007
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5UBV
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6AN2
 | | STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING D4TTP AT PH 7.5 | | Descriptor: | 2',3'-DEHYDRO-2',3'-DEOXY-THYMIDINE 5'-TRIPHOSPHATE, DNA PRIMER (5'- D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*GP)-3'), DNA TEMPLATE (5'- D(*AP*TP*GP*AP*AP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), ... | | Authors: | Martinez, S.E, Das, K, Arnold, E. | | Deposit date: | 2017-08-11 | | Release date: | 2018-08-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of HIV-1 reverse transcriptase/d4TTP complex: Novel DNA cross-linking site and pH-dependent conformational changes.
Protein Sci., 28, 2019
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2NAC
 | | HIGH RESOLUTION STRUCTURES OF HOLO AND APO FORMATE DEHYDROGENASE | | Descriptor: | NAD-DEPENDENT FORMATE DEHYDROGENASE, SULFATE ION | | Authors: | Lamzin, V.S, Dauter, Z, Popov, V.O, Harutyunyan, E.H, Wilson, K.S. | | Deposit date: | 1994-07-06 | | Release date: | 1995-01-26 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | High resolution structures of holo and apo formate dehydrogenase.
J.Mol.Biol., 236, 1994
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2NMR
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5UF1
 | | Crystal Structure of Variable Lymphocyte Receptor (VLR) O13 in complex with H-trisaccharide | | Descriptor: | CHLORIDE ION, O13, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Gunn, R.J, Collins, B.C, McKitrick, T.R, Cummings, R.D, Cooper, M.D, Herrin, B.R, Wilson, I.A. | | Deposit date: | 2017-01-03 | | Release date: | 2017-10-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Structural Insights into VLR Fine Specificity for Blood Group Carbohydrates.
Structure, 25, 2017
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4XY7
 | | Crystal structure of the complex of ribosome inactivating protein from Momordica balsamina with N-acetylglucosamine at 2.5 A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Ribosome inactivating protein | | Authors: | Yamini, S, Pandey, S, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2015-02-02 | | Release date: | 2015-09-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of the complex of ribosome inactivating protein from Momordica balsamina with N- acetylglucosamine at 2.5 A resolution
To Be Published
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2N98
 | | Solution structure of acyl carrier protein LipD from Actinoplanes friuliensis | | Descriptor: | Acyl carrier protein | | Authors: | Paul, S, Ishida, H, Liu, Z, Nguyen, L.T, Vogel, H.J. | | Deposit date: | 2015-11-10 | | Release date: | 2016-11-16 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural and dynamic characterization of a freestanding acyl carrier protein involved in the biosynthesis of cyclic lipopeptide antibiotics.
Protein Sci., 26, 2017
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5TPU
 | | x-ray structure of the WlaRB TDP-quinovose 3,4-ketoisomerase from campylobacter jejuni | | Descriptor: | CHLORIDE ION, Putative uncharacterized protein, THYMIDINE-5'-DIPHOSPHATE | | Authors: | Holden, H.M, Thoden, J.B, Li, J.Z, Riegert, A.S, Goneau, M.-F, Cunningham, A.M, Vinogradov, E, Schoenhofen, I.C, Gilbert, M. | | Deposit date: | 2016-10-21 | | Release date: | 2017-02-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Characterization of the dTDP-Fuc3N and dTDP-Qui3N biosynthetic pathways in Campylobacter jejuni 81116.
Glycobiology, 27, 2017
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4Y11
 | | Trypsin in complex with with BPTI mutant (2S)-2-amino-4,4,4-trifluorobutanoic acid | | Descriptor: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | | Authors: | Loll, B, Ye, S, Berger, A.A, Muelow, U, Alings, C, Wahl, M.C, Koksch, B. | | Deposit date: | 2015-02-06 | | Release date: | 2015-06-24 | | Last modified: | 2018-04-18 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Fluorine teams up with water to restore inhibitor activity to mutant BPTI.
Chem Sci, 6, 2015
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6ASF
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4XXJ
 | | Crystal Structure of Escherichia coli-Expressed Halobacterium salinarum Bacteriorhodopsin in the Trimeric Form | | Descriptor: | Bacteriorhodopsin, EICOSANE, [(Z)-octadec-9-enyl] (2R)-2,3-bis(oxidanyl)propanoate | | Authors: | Bratanov, D, Balandin, T, Round, E, Gushchin, I, Gordeliy, V. | | Deposit date: | 2015-01-30 | | Release date: | 2015-07-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | An Approach to Heterologous Expression of Membrane Proteins. The Case of Bacteriorhodopsin.
Plos One, 10, 2015
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2NNC
 | | Structure of the sulfur carrier protein SoxY from Chlorobium limicola f thiosulfatophilum | | Descriptor: | CHLORIDE ION, NITROGEN MOLECULE, PHOSPHATE ION, ... | | Authors: | Stout, J, Van Driessche, G, Savvides, S.N, Van Beeumen, J. | | Deposit date: | 2006-10-24 | | Release date: | 2007-03-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | X-ray crystallographic analysis of the sulfur carrier protein SoxY from Chlorobium limicola f. thiosulfatophilum reveals a tetrameric structure.
Protein Sci., 16, 2007
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6AYF
 | | TRPML3/ML-SA1 complex at pH 7.4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Mucolipin-3 | | Authors: | Zhou, X, Li, M, Su, D, Jia, Q, Li, H, Li, X, Yang, J. | | Deposit date: | 2017-09-08 | | Release date: | 2017-11-08 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.62 Å) | | Cite: | Cryo-EM structures of the human endolysosomal TRPML3 channel in three distinct states.
Nat. Struct. Mol. Biol., 24, 2017
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5UG2
 | | CcP gateless cavity | | Descriptor: | 6-fluoro-2-methylimidazo[1,2-a]pyridin-3-amine, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase | | Authors: | Stein, R.M, Fischer, M, Shoichet, B.K. | | Deposit date: | 2017-01-06 | | Release date: | 2017-02-01 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Testing inhomogeneous solvation theory in structure-based ligand discovery.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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