2GE4
 
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5A48
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2GII
 | | Q138F HincII bound to cognate DNA GTTAAC | | Descriptor: | 5'-D(*GP*CP*CP*GP*GP*TP*TP*AP*AP*CP*CP*GP*GP*C)-3', Type II restriction enzyme HincII | | Authors: | Horton, N.C, Joshi, H.K. | | Deposit date: | 2006-03-28 | | Release date: | 2006-07-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Alteration of Sequence Specificity of the Type II Restriction Endonuclease HincII through an Indirect Readout Mechanism.
J.Biol.Chem., 281, 2006
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5A4C
 | | FGFR1 ligand complex | | Descriptor: | 1,2-ETHANEDIOL, 1-tert-butyl-3-[2-[3-(diethylamino)propylamino]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]urea, FIBROBLAST GROWTH FACTOR RECEPTOR 1 (FMS-RELATED TYROSINE KINASE 2, ... | | Authors: | Klein, T, Vajpai, N, Phillips, J.J, Davies, G, Holdgate, G.A, Phillips, C, Tucker, J.A, Norman, R.A, Scott, A.S, Higazi, D.R, Lowe, D, Thompson, G.S, Breeze, A.L. | | Deposit date: | 2015-06-05 | | Release date: | 2015-08-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structural and Dynamic Insights Into the Energetics of Activation Loop Rearrangement in Fgfr1 Kinase.
Nat.Commun., 6, 2015
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5A5J
 | | Cytochrome 2C9 P450 inhibitor complex | | Descriptor: | CYTOCHROME P450 2C9, N-[4-(3-chloranyl-4-cyano-phenoxy)-3,5-dimethoxy-phenyl]-1,1,1-tris(fluoranyl)methanesulfonamide, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Skerratt, S.E, de Groot, M.J, Phillips, C. | | Deposit date: | 2015-06-18 | | Release date: | 2016-08-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Discovery of a Novel Binding Pocket for Cyp 2C9 Inhibitors: Crystallography, Pharmacophore Modelling and Inhibitor Sar.
To be Published
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5ADD
 | | Structure of rat neuronal nitric oxide synthase d597n m336v mutant heme domain in complex with 7-((3-(methylamino)methyl) phenoxy)methyl)quinolin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2015-08-20 | | Release date: | 2015-10-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
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5AB7
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5AHF
 | | Crystal structure of Salmonella enterica HisA D7N with ProFAR | | Descriptor: | 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, GLYCEROL, [(2R,3S,4R,5R)-5-[4-aminocarbonyl-5-[(E)-[[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]amino]methylideneamino]imidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate | | Authors: | Soderholm, A, Guo, X, Newton, M.S, Evans, G.B, Nasvall, J, Patrick, W.M, Selmer, M. | | Deposit date: | 2015-02-05 | | Release date: | 2015-09-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.201 Å) | | Cite: | Two-Step Ligand Binding in a Beta/Alpha8 Barrel Enzyme -Substrate-Bound Structures Shed New Light on the Catalytic Cycle of Hisa
J.Biol.Chem., 290, 2015
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5AD4
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-((3-(2-(Dimethylamino)ethyl)phenoxy)methyl)quinolin-2- amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[3-[2-(dimethylamino)ethyl]phenoxy]methyl]quinolin-2-amine, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2015-08-20 | | Release date: | 2015-10-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.981 Å) | | Cite: | Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
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2GCI
 | | The 1,1-proton transfer reaction mechanism by alpha-methylacyl-CoA racemase is catalyzed by an asparte/histidine pair and involves a smooth, methionine-rich surface for binding the fatty acyl moiety | | Descriptor: | (R)-2-METHYLMYRISTOYL-COENZYME A, GLYCEROL, probable alpha-methylacyl-CoA racemase MCR | | Authors: | Bhaumik, P, Wierenga, R.K. | | Deposit date: | 2006-03-14 | | Release date: | 2007-02-20 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The Catalysis of the 1,1-Proton Transfer by alpha-Methyl-acyl-CoA Racemase Is Coupled to a Movement of the Fatty Acyl Moiety Over a Hydrophobic, Methionine-rich Surface
J.Mol.Biol., 367, 2007
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5AGO
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-2-Amino-5-(2-mercaptoacetimidamido)pentanoic acid | | Descriptor: | (S)-2-AMINO-5-(2-MERCAPTOACETIMIDAMIDO)PENTANOIC ACID, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2015-02-02 | | Release date: | 2015-04-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.902 Å) | | Cite: | Mechanism of Inactivation of Neuronal Nitric Oxide Synthase by (S)-2-Amino-5-(2-(Methylthio)Acetimidamido)Pentanoic Acid.
J.Am.Chem.Soc., 137, 2015
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2GCV
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4ZVA
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2GD2
 | | The 1,1-proton transfer reaction mechanism by alpha-methylacyl-CoA racemase is catalyzed by an aspartate/histidine pair and involves a smooth, methionine-rich surface for binding the fatty acyl moiety | | Descriptor: | ACETOACETYL-COENZYME A, GLYCEROL, probable alpha-methylacyl-CoA racemase MCR | | Authors: | Bhaumik, P, Wierenga, R.K. | | Deposit date: | 2006-03-15 | | Release date: | 2007-02-20 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Catalysis of the 1,1-Proton Transfer by alpha-Methyl-acyl-CoA Racemase Is Coupled to a Movement of the Fatty Acyl Moiety Over a Hydrophobic, Methionine-rich Surface
J.Mol.Biol., 367, 2007
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2GDZ
 | | Crystal structure of 15-hydroxyprostaglandin dehydrogenase type1, complexed with NAD+ | | Descriptor: | NAD+-dependent 15-hydroxyprostaglandin dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Pilka, E.S, Guo, K, Kavanagh, K, Von Delft, F, Arrowsmith, C, Weigelt, J, Edwards, A, Sundstrom, M, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-03-17 | | Release date: | 2006-04-04 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | High-Affinity Inhibitors of Human NAD-Dependent 15-Hydroxyprostaglandin Dehydrogenase: Mechanisms of Inhibition and Structure-Activity Relationships.
Plos One, 5, 2010
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4ZYG
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4ZZK
 | | Crystal structure of truncated FlgD (monoclinic form) from the human pathogen Helicobacter pylori | | Descriptor: | Basal-body rod modification protein FlgD | | Authors: | Pulic, I, Cendron, L, Salamina, M, Matkovic-Calogovic, D, Zanotti, G. | | Deposit date: | 2015-05-22 | | Release date: | 2016-02-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Crystal structure of truncated FlgD from the human pathogen Helicobacter pylori.
J.Struct.Biol., 194, 2016
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2GF5
 | | Structure of intact FADD (MORT1) | | Descriptor: | FADD protein | | Authors: | Carrington, P.E, Sandu, C, Wei, Y, Hill, J.M, Morisawa, G, Huang, T, Gavathiotis, E, Wei, Y, Werner, M.H. | | Deposit date: | 2006-03-21 | | Release date: | 2006-06-27 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | The Structure of FADD and Its Mode of Interaction with Procaspase-8
Mol.Cell, 22, 2006
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5A1X
 | | The structure of the COPI coat linkage III | | Descriptor: | ADP-RIBOSYLATION FACTOR 1, COATOMER SUBUNIT ALPHA, COATOMER SUBUNIT BETA, ... | | Authors: | Dodonova, S.O, Diestelkoetter-Bachert, P, von Appen, A, Hagen, W.J.H, Beck, R, Beck, M, Wieland, F, Briggs, J.A.G. | | Deposit date: | 2015-05-06 | | Release date: | 2015-07-08 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (23 Å) | | Cite: | Vesicular Transport. A Structure of the Copi Coat and the Role of Coat Proteins in Membrane Vesicle Assembly.
Science, 349, 2015
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2GBH
 | | NMR structure of stem region of helix-35 of 23S E.coli ribosomal RNA (residues 736-760) | | Descriptor: | 5'-R(*(GMP)P*GP*GP*CP*UP*AP*AP*UP*GP*(PSU)P*UP*GP*AP*AP*AP*AP*AP*UP*UP*AP*GP*CP*CP*C)-3' | | Authors: | Bax, A, Boisbouvier, J, Bryce, D, Grishaev, A, Jaroniec, C, Miclet, E, Nikonovicz, E, O'Neil-Cabello, E, Ying, J. | | Deposit date: | 2006-03-10 | | Release date: | 2006-04-11 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Measurement of five dipolar couplings from a single 3D NMR multiplet applied to the study of RNA dynamics.
J.Am.Chem.Soc., 126, 2004
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5AC9
 | | Structure-based energetics of protein interfaces guide Foot-and-Mouth disease virus vaccine design | | Descriptor: | VP1, VP2, VP3, ... | | Authors: | Kotecha, A, Seago, J, Scott, K, Burman, A, Loureiro, S, Ren, J, Porta, C, Ginn, H.M, Jackson, T, PerezMartin, E, Siebert, C.A, Paul, G, Huiskonen, J.T, Jones, I.M, Esnouf, R.M, Fry, E.E, Maree, F.F, Charleston, B, Stuart, D.I. | | Deposit date: | 2015-08-14 | | Release date: | 2015-09-23 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structure-Based Energetics of Protein Interfaces Guide Foot-and-Mouth Disease Vaccine Design
Nat.Struct.Mol.Biol., 22, 2015
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2GIP
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2GFJ
 | | Crystal structure of the zinc-beta-lactamase L1 from stenotrophomonas maltophilia (inhibitor 1) | | Descriptor: | 1,3-DIPHENYL-1H-PYRAZOLE-4,5-DICARBOXYLIC ACID, Metallo-beta-lactamase L1, SULFATE ION, ... | | Authors: | Nauton, L, Garau, G, Kahn, R, Dideberg, O. | | Deposit date: | 2006-03-22 | | Release date: | 2007-03-27 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural insights into the design of inhibitors for the L1 metallo-beta-lactamase from Stenotrophomonas maltophilia.
J.Mol.Biol., 375, 2008
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2GGS
 | | crystal structure of hypothetical dTDP-4-dehydrorhamnose reductase from sulfolobus tokodaii | | Descriptor: | 273aa long hypothetical dTDP-4-dehydrorhamnose reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Rajakannan, V, Mizushima, T, Suzuki, A, Masui, R, Kuramitsu, S, Yamane, T. | | Deposit date: | 2006-03-24 | | Release date: | 2007-03-24 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | crystal structure of hypothetical dTDP-4-dehydrorhamnose reductase from sulfolobus tokodaii
To be published
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2GH5
 | | Crystal Structure of human Glutathione Reductase complexed with a Fluoro-Analogue of the Menadione Derivative M5 | | Descriptor: | 6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-2-YL)HEXANOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Fritz-Wolf, K, Winzer, A, Bauer, H, Schirmer, H, Davioud-Charvet, E. | | Deposit date: | 2006-03-25 | | Release date: | 2006-09-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A fluoro analogue of the menadione derivative 6-[2'-(3'-methyl)-1',4'-naphthoquinolyl]hexanoic acid is a suicide substrate of glutathione reductase. Crystal structure of the alkylated human enzyme
J.Am.Chem.Soc., 128, 2006
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