6AUV
 
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-Methyl-6-(2-(5-(3-((methylamino)methyl)phenyl)pyridin-3-yl)ethyl)pyridin-2-amine | | Descriptor: | 4-methyl-6-[2-(5-{3-[(methylamino)methyl]phenyl}pyridin-3-yl)ethyl]pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | | 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 (1.76 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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5IW8
 | | Mycobacterium tuberculosis CysM in complex with the Urea-scaffold inhibitor 4 [5-(3-([1,1'-Biphenyl]-3-yl)ureido)-2-hydroxybenzoic acid] | | Descriptor: | 5-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}-2-hydroxybenzoic acid, O-phosphoserine sulfhydrylase, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Brunner, K, Schnell, R, Schneider, G. | | Deposit date: | 2016-03-22 | | Release date: | 2016-08-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Inhibitors of the Cysteine Synthase CysM with Antibacterial Potency against Dormant Mycobacterium tuberculosis.
J.Med.Chem., 59, 2016
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5J7Q
 | | Macrophage Migration Inhibitory Factor bound to Inhibitor K664 Derivative | | Descriptor: | 4-(imidazo[1,2-a]pyridin-2-yl)benzene-1,2-diol, GLYCEROL, ISOPROPYL ALCOHOL, ... | | Authors: | Robertson, M.J, Jorgensen, W.L. | | Deposit date: | 2016-04-06 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Irregularities in enzyme assays: The case of macrophage migration inhibitory factor.
Bioorg.Med.Chem.Lett., 26, 2016
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3EX4
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5J7Y
 | | Architecture of loose respirasome | | Descriptor: | COMPLEX I 13KDA/NDUFS6, COMPLEX I 15KDA/NDUFS5, COMPLEX I 18KDA/NDUFS6, ... | | Authors: | Letts, J.A, Fiedorczuk, F, Sazanov, L.A. | | Deposit date: | 2016-04-07 | | Release date: | 2016-09-21 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (6.7 Å) | | Cite: | The architecture of respiratory supercomplexes.
Nature, 537, 2016
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5IYA
 | | Human core-PIC in the closed state | | Descriptor: | DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB10, DNA-directed RNA polymerase II subunit RPB11-a, ... | | Authors: | He, Y, Yan, C, Fang, J, Inouye, C, Tjian, R, Ivanov, I, Nogales, E. | | Deposit date: | 2016-03-24 | | Release date: | 2016-05-18 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (5.4 Å) | | Cite: | Near-atomic resolution visualization of human transcription promoter opening.
Nature, 533, 2016
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5IVN
 | | BC2 nanobody in complex with the BC2 peptide tag | | Descriptor: | BC2-nanobody, Cadherin derived peptide | | Authors: | Braun, M.B, Stehle, T. | | Deposit date: | 2016-03-21 | | Release date: | 2016-04-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Peptides in headlock - a novel high-affinity and versatile peptide-binding nanobody for proteomics and microscopy.
Sci Rep, 6, 2016
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6E26
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6AUY
 | | Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 4-Methyl-6-(3-(3-(methylamino)propyl)phenethyl)pyridin-2-amine | | Descriptor: | 4-methyl-6-(2-{3-[3-(methylamino)propyl]phenyl}ethyl)pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ... | | 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 (1.92 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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6AUR
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(3-Fluoro-5-(3-(methylamino)propyl)phenethyl)-4-methylpyridin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{3-fluoro-5-[3-(methylamino)propyl]phenyl}ethyl)-4-methylpyridin-2-amine, ACETATE ION, ... | | 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 (1.75 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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6AV5
 | | Structure of human neuronal nitric oxide synthase R354A/G356D mutant heme domain in complex with 6-(2-(5-Fluoro-3'-((methylamino)methyl)-[1,1'-biphenyl]-3-yl)ethyl)-4-methylpyridin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{5-fluoro-3'-[(methylamino)methyl][1,1'-biphenyl]-3-yl}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 (1.9 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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5J1A
 | | Antigen presenting molecule | | Descriptor: | 3-[(8Z,11Z)-pentadeca-8,11-dien-1-yl]benzene-1,2-diol, Beta-2-microglobulin, T-cell surface glycoprotein CD1a | | Authors: | Yongqing, T, Rossjohn, J, Le Nours, J, Marquez, E, Winau, F. | | Deposit date: | 2016-03-29 | | Release date: | 2016-08-03 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | CD1a on Langerhans cells controls inflammatory skin disease.
Nat. Immunol., 17, 2016
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5J1M
 | | Crystal structure of Csd1-Csd2 dimer II | | Descriptor: | ToxR-activated gene (TagE), ZINC ION | | Authors: | An, D.R, Suh, S.W. | | Deposit date: | 2016-03-29 | | Release date: | 2016-10-19 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural Basis of the Heterodimer Formation between Cell Shape-Determining Proteins Csd1 and Csd2 from Helicobacter pylori
Plos One, 11, 2016
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2ELG
 | | The rare crystallographic structure of d(CGCGCG)2: The natural spermidine molecule bound to the minor groove of left-handed Z-DNA d(CGCGCG)2 at 10 degree celsius | | Descriptor: | DNA (5'-D(*DCP*DGP*DCP*DGP*DCP*DG)-3'), MAGNESIUM ION, SODIUM ION, ... | | Authors: | Ohishi, H, Tozuka, Y, Zhou, D.Y, Ishida, T, Nakatani, K. | | Deposit date: | 2007-03-27 | | Release date: | 2008-04-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | The rare crystallographic structure of d(CGCGCG)(2): The natural spermidine molecule bound to the minor groove of left-handed Z-DNA d(CGCGCG)(2) at 10 degrees C
Biochem.Biophys.Res.Commun., 358, 2007
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1XKM
 | | NMR structure of antimicrobial peptide distinctin in water | | Descriptor: | Distinctin chain A, Distinctin chain B | | Authors: | Amodeo, P, Raimondo, D, Andreotti, G, Motta, A, Scaloni, A. | | Deposit date: | 2004-09-29 | | Release date: | 2005-04-05 | | Last modified: | 2024-10-23 | | Method: | SOLUTION NMR | | Cite: | A folding-dependent mechanism of antimicrobial peptide resistance to degradation unveiled by solution structure of distinctin.
Proc.Natl.Acad.Sci.Usa, 102, 2005
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5ITT
 | | Crystal Structure of Human NEIL1 bound to duplex DNA containing THF | | Descriptor: | DNA (26-MER), Endonuclease 8-like 1, GLYCEROL | | Authors: | Zhu, C, Lu, L, Zhang, J, Yue, Z, Song, J, Zong, S, Liu, M, Stovicek, O, Gao, Y, Yi, C. | | Deposit date: | 2016-03-17 | | Release date: | 2016-07-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Tautomerization-dependent recognition and excision of oxidation damage in base-excision DNA repair
Proc.Natl.Acad.Sci.USA, 113, 2016
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5IUA
 | | Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with compound 12b at 2.2A resolution | | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(furan-2-yl)-N~5~-[3-(4-phenylpiperazin-1-yl)propyl][1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, ... | | Authors: | Segala, E, Guo, D, Cheng, R.K.Y, Bortolato, A, Deflorian, F, Dore, A.S, Errey, J.C, Heitman, L.H, Ijzerman, A.P, Marshall, F.H, Cooke, R.M. | | Deposit date: | 2016-03-17 | | Release date: | 2016-06-29 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Controlling the Dissociation of Ligands from the Adenosine A2A Receptor through Modulation of Salt Bridge Strength.
J.Med.Chem., 59, 2016
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2MZF
 | | Purotoxin-2 NMR structure in water | | Descriptor: | Purotoxin-2 | | Authors: | Nadezhdin, K, Vassilevski, A, Oparin, P, Grishin, E, Arseniev, A. | | Deposit date: | 2015-02-12 | | Release date: | 2016-04-13 | | Last modified: | 2024-11-06 | | Method: | SOLUTION NMR | | Cite: | Structure of purotoxin-2 from wolf spider: modular design and membrane-assisted mode of action in arachnid toxins.
Biochem. J., 473, 2016
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6B3R
 | | Structure of the mechanosensitive channel Piezo1 | | Descriptor: | Piezo-type mechanosensitive ion channel component 1, unknown fragment | | Authors: | Guo, Y.R, MacKinnon, R. | | Deposit date: | 2017-09-22 | | Release date: | 2017-12-20 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structure-based membrane dome mechanism for Piezo mechanosensitivity.
Elife, 6, 2017
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2NCW
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6BCL
 | | cryo-EM structure of TRPM4 in apo state with long coiled coil at 3.5 angstrom resolution | | Descriptor: | SODIUM ION, Transient receptor potential cation channel subfamily M member 4 | | Authors: | Guo, J, She, J, Chen, Q, Bai, X, Jiang, Y. | | Deposit date: | 2017-10-20 | | Release date: | 2017-12-13 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3.54 Å) | | Cite: | Structures of the calcium-activated, non-selective cation channel TRPM4.
Nature, 552, 2017
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5IZ7
 | | Cryo-EM structure of thermally stable Zika virus strain H/PF/2013 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, structural protein E, structural protein M | | Authors: | Kostyuchenko, V.A, Zhang, S, Fibriansah, G, Lok, S.M. | | Deposit date: | 2016-03-25 | | Release date: | 2016-05-25 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structure of the thermally stable Zika virus
Nature, 533, 2016
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5J18
 | | Solution structure of Ras Binding Domain (RBD) of B-Raf complexed with Rigosertib (Complex I) | | Descriptor: | N-[2-methoxy-5-({[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine, Serine/threonine-protein kinase B-raf | | Authors: | Dutta, K, Vasquez-Del Carpio, R, Aggarwal, A.K, Reddy, E.P. | | Deposit date: | 2016-03-29 | | Release date: | 2016-05-04 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | A Small Molecule RAS-Mimetic Disrupts RAS Association with Effector Proteins to Block Signaling.
Cell, 165, 2016
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1XOZ
 | | Catalytic Domain Of Human Phosphodiesterase 5A In Complex With Tadalafil | | Descriptor: | 6-BENZO[1,3]DIOXOL-5-YL-2-METHYL-2,3,6,7,12,12A-HEXAHYDRO-PYRAZINO[1',2':1,6]PYRIDO[3,4-B]INDOLE-1,4-DIONE, MAGNESIUM ION, ZINC ION, ... | | Authors: | Card, G.L, England, B.P, Suzuki, Y, Fong, D, Powell, B, Lee, B, Luu, C, Tabrizizad, M, Gillette, S, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J. | | Deposit date: | 2004-10-07 | | Release date: | 2004-12-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Structural Basis for the Activity of Drugs that Inhibit Phosphodiesterases.
STRUCTURE, 12, 2004
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3EWU
 | | D312N mutant of human orotidyl-5'-monophosphate decarboxylase in complex with 6-acetyl-UMP, covalent adduct | | Descriptor: | 6-ethyluridine 5'-phosphate, GLYCEROL, Orotidine-5'-phosphate decarboxylase, ... | | Authors: | Heinrich, D, Wittmann, J, Diederichsen, U, Rudolph, M. | | Deposit date: | 2008-10-16 | | Release date: | 2009-04-07 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase
Chemistry, 15, 2009
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