4UF8
 
 | | Electron cryo-microscopy structure of PB1-p62 filaments | | Descriptor: | SEQUESTOSOME-1 | | Authors: | Ciuffa, R, Lamark, T, Tarafder, A, Guesdon, A, Rybina, S, Hagen, W.J.H, Johansen, T, Sachse, C. | | Deposit date: | 2015-03-15 | | Release date: | 2015-05-13 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (10.9 Å) | | Cite: | The Selective Autophagy Receptor P62 Forms a Flexible Filamentous Helical Scaffold.
Cell Rep., 11, 2015
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4UFD
 | | Thrombin in complex with 4-(((1-((2S)-1-((2R)-2-(benzylsulfonylamino)- 3-phenyl-propanoyl)pyrrolidin-2-yl)-1-oxo-ethyl)amino)methyl) benzamidine | | Descriptor: | (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanoyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | Ruehmann, E, Heine, A, Klebe, G. | | Deposit date: | 2015-03-16 | | Release date: | 2016-01-27 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.429 Å) | | Cite: | Boosting Affinity by Correct Ligand Preorganization for the S2 Pocket of Thrombin: A Study by Isothermal Titration Calorimetry, Molecular Dynamics, and High-Resolution Crystal Structures.
Chemmedchem, 11, 2016
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4UFG
 | | Thrombin in complex with (2R)-2-(benzylsulfonylamino)-N-((1S)-2-((4- carbamimidoylphenyl)methylamino)-1-methyl-2-oxo-ethyl)-N-methyl-3- phenyl-propanamide ethane | | Descriptor: | (2S)-N-[(4-carbamimidoylphenyl)methyl]-2-[methyl-[(2R)-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanoyl]amino]butanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-2, ... | | Authors: | Ruehmann, E, Heine, A, Klebe, G. | | Deposit date: | 2015-03-17 | | Release date: | 2016-01-27 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Boosting Affinity by Correct Ligand Preorganization for the S2 Pocket of Thrombin: A Study by Isothermal Titration Calorimetry, Molecular Dynamics, and High-Resolution Crystal Structures.
Chemmedchem, 11, 2016
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4UO7
 | | Structure of the A_Canine_Colorado_17864_06 H3 haemagglutinin in complex with 6SO4 Sialyl Lewis X | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HAEMAGGLUTININ HA1, ... | | Authors: | Vachieri, S.G, Collins, P.J, Haire, L.F, Ogrodowicz, R.W, Martin, S.R, Walker, P.A, Xiong, X, Gamblin, S.J, Skehel, J.J. | | Deposit date: | 2014-05-31 | | Release date: | 2014-07-23 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Recent Evolution of Equine Influenza and the Origin of Canine Influenza.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4UFL
 | | Mouse Galactocerebrosidase complexed with deoxy-galacto-noeurostegine DGN | | 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: | Hill, C.H, Viuff, A.H, Spratley, S.J, Salamone, S, Christensen, S.H, Read, R.J, Moriarty, N.W, Jensen, H.H, Deane, J.E. | | Deposit date: | 2015-03-17 | | Release date: | 2015-03-25 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Azasugar Inhibitors as Pharmacological Chaperones for Krabbe Disease.
Chem.Sci., 6, 2015
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4UE2
 | | Structure of air-treated anaerobically purified D. fructosovorans NiFe-hydrogenase | | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, GLYCEROL, ... | | Authors: | Volbeda, A, Martin, L, Liebgott, P.-P, Fontecilla-Camps, J.C. | | Deposit date: | 2014-12-15 | | Release date: | 2015-03-25 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | [Nife]-Hydrogenases Revisited: Nickel-Carboxamido Bond Formation in a Variant with Accrued O2-Tolerance and a Tentative Re-Interpretation of Ni-Si States.
Metallomics, 7, 2015
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4UGF
 | | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 6-((((3S, 5R)-5-(((6-amino-4-methylpyridin-2-yl)methoxy)methyl) pyrrolidin-3-yl)oxy)methyl)-4-methylpyridin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-((((3S, 5R)-5-(((6-amino-4-methylpyridin-2-yl)methoxy)methyl)pyrrolidin-3-yl)oxy)methyl)-4-methylpyridin-2-amine, ... | | Authors: | Holden, J.K, Poulos, T.L. | | Deposit date: | 2015-03-22 | | Release date: | 2015-06-24 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Biochemistry, 54, 2015
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4UOA
 | | Structure of the A_Canine_Colorado_17864_06 H3 haemagglutinin Met29Ile mutant | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HA1, ... | | Authors: | Vachieri, S.G, Collins, P.J, Haire, L.F, Ogrodowicz, R.W, Martin, S.R, Walker, P.A, Xiong, X, Gamblin, S.J, Skehel, J.J. | | Deposit date: | 2014-05-31 | | Release date: | 2014-07-23 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Recent Evolution of Equine Influenza and the Origin of Canine Influenza.
Proc.Natl.Acad.Sci.USA, 111, 2014
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6TT2
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4UOM
 | | Electron Cryo-microscopy of Venezuelan Equine Encephalitis Virus TC- 83 in complex with neutralizing antibody Fab F5 | | Descriptor: | FAB FRAGMENT HEAVY CHAIN, FAB FRAGMENT LIGHT CHAIN | | Authors: | Porta, J, Jose, J, Roehrig, J.T, Blair, C.D, Kuhn, R.J, Rossmann, M.G. | | Deposit date: | 2014-06-05 | | Release date: | 2014-10-15 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (17 Å) | | Cite: | Locking and Blocking the Viral Landscape of an Alphavirus with Neutralizing Antibodies.
J.Virol., 88, 2014
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4UP4
 | | Structure of the recombinant lectin PVL from Psathyrella velutina in complex with GlcNAcb-D-1,3Galactoside | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose, ... | | Authors: | Audfray, A, Beljoudi, M, Hurbin, A, Varrot, A, Breiman, A, Busser, B, Lependu, J, Coll, J.L, Imberty, A. | | Deposit date: | 2014-06-12 | | Release date: | 2015-01-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A Recombinant Fungal Lectin for Labeling Truncated Glycans on Human Cancer Cells.
Plos One, 10, 2015
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4UPD
 | | Open conformation of O. piceae sterol esterase mutant I544W | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, STEROL ESTERASE, TRIETHYLENE GLYCOL, ... | | Authors: | Gutierrez-Fernandez, J, Vaquero, M.E, Prieto, A, Barriuso, J, Gonzalez, M.J, Hermoso, J.A. | | Deposit date: | 2014-06-16 | | Release date: | 2014-09-24 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structures of Ophiostoma Piceae Sterol Esterase: Structural Insights Into Activation Mechanism and Product Release.
J.Struct.Biol., 187, 2014
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4UD2
 | | Structure of anaerobically purified D. fructosovorans NiFe- hydrogenase | | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, GLYCEROL, ... | | Authors: | Volbeda, A, Martin, L, Liebgott, P.-P, Fontecilla-Camps, J.C. | | Deposit date: | 2014-12-05 | | Release date: | 2015-03-25 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | [Nife]-Hydrogenases Revisited: Nickel-Carboxamido Bond Formation in a Variant with Accrued O2-Tolerance and a Tentative Re-Interpretation of Ni-Si States.
Metallomics, 7, 2015
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4UIE
 | | Crystal structure of the S-layer protein SbsC, domains 7, 8 and 9 | | Descriptor: | CALCIUM ION, OSMIUM ION, SURFACE LAYER PROTEIN | | Authors: | Pavkov-Keller, T, Dordic, A, Egelseer, E.M, Sleytr, U.B, Keller, W. | | Deposit date: | 2015-03-27 | | Release date: | 2016-04-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Crystal Structure of the S-Layer Protein Sbsc
To be Published
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4UH5
 | | Structure of human nNOS R354A G357D mutant heme domain in complex with N1-(5-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)-N1,N2- dimethylethane-1,2-diamine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORIDE ION, N1-(5-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)-N1,N2-dimethylethane-1,2-diamine, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2015-03-23 | | Release date: | 2015-07-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.983 Å) | | Cite: | 2-Aminopyridines with a Truncated Side Chain to Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity.
J.Med.Chem., 58, 2015
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4UPO
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with N-[3-({[(3S,5S)-5-{[(3-{[(Z)-imino(thiophen-2-yl)methyl]amino}benzyl)oxy]methyl}pyrrolidin-3-yl]oxy}methyl)phenyl]thiophene-2-carboximidamide | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-[3-({[(3S,5S)-5-{[(3-{[(Z)-imino(thiophen-2-yl)methyl]amino}benzyl)oxy]methyl}pyrrolidin-3-yl]oxy}methyl)phenyl]thiophene-2-carboximidamide, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2014-06-17 | | Release date: | 2014-08-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Combination of Chiral Linkers with Thiophenecarboximidamide Heads to Improve the Selectivity of Inhibitors of Neuronal Nitric Oxide Synthase.
Bioorg.Med.Chem.Lett., 24, 2014
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4UIP
 | | The complex structure of extracellular domain of EGFR with Repebody (rAC1). | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, EPIDERMAL GROWTH FACTOR RECEPTOR, ... | | Authors: | Kang, Y.J, Cha, Y.J, Cho, H.S, Lee, J.J, Kim, H.S. | | Deposit date: | 2015-03-31 | | Release date: | 2015-11-25 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Enzymatic Prenylation and Oxime Ligation for the Synthesis of Stable and Homogeneous Protein-Drug Conjugates for Targeted Therapy.
Angew.Chem.Int.Ed.Engl., 54, 2015
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4UAU
 | | Crystal structure of CbbY (mutant D10N) from Rhodobacter sphaeroides in complex with Xylulose-(1,5)bisphosphate, crystal form II | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, Protein CbbY, ... | | Authors: | Bracher, A, Sharma, A, Starling-Windhof, A, Hartl, F.U, Hayer-Hartl, M. | | Deposit date: | 2014-08-11 | | Release date: | 2014-12-31 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Degradation of potent Rubisco inhibitor by selective sugar phosphatase.
Nat.Plants, 1, 2015
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4UB6
 | | Native structure of photosystem II (dataset-1) by a femtosecond X-ray laser | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Suga, M, Akita, F, Hirata, K, Ueno, G, Murakami, H, Nakajima, Y, Shimizu, T, Yamashita, K, Yamamoto, M, Ago, H, Shen, J.R. | | Deposit date: | 2014-08-12 | | Release date: | 2014-12-03 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Native structure of photosystem II at 1.95 angstrom resolution viewed by femtosecond X-ray pulses.
Nature, 517, 2015
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4UJD
 | | mammalian 80S HCV-IRES initiation complex with eIF5B PRE-like state | | Descriptor: | 18S Ribosomal RNA, 28S Ribosomal RNA, 40S RIBOSOMAL PROTEIN ES1, ... | | Authors: | Yamamoto, H, Unbehaun, A, Loerke, J, Behrmann, E, Marianne, C, Burger, J, Mielke, T, Spahn, C.M.T. | | Deposit date: | 2014-06-18 | | Release date: | 2014-07-30 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (8.9 Å) | | Cite: | Structure of the Mammalian 80S Initiation Complex with Eif5B on Hcv Ires
Nat.Struct.Mol.Biol., 21, 2014
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4UFA
 | | Crystal structure of the Angiotensin-1 converting enzyme N-domain in complex with Ac-SD | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ANGIOTENSIN-CONVERTING ENZYME, ... | | Authors: | Masuyer, G, Douglas, R.G, Sturrock, E.D, Acharya, K.R. | | Deposit date: | 2015-03-16 | | Release date: | 2015-10-07 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Basis of Ac-Sdkp Hydrolysis by Angiotensin-I Converting Enzyme
Sci.Rep., 5, 2015
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4UHR
 | | Thermostabilised HUMAN A2a Receptor with CGS21680 bound | | Descriptor: | 2-[P-(2-CARBOXYETHYL)PHENYLETHYL-AMINO]-5'-N-ETHYLCARBOXAMIDO ADENOSINE, THERMOSTABILISED HUMAN A2A RECEPTOR | | Authors: | Lebon, G, Edwards, P.C, Leslie, A.G.W, Tate, C.G. | | Deposit date: | 2015-03-25 | | Release date: | 2015-04-08 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Molecular Determinants of Cgs21680 Binding to the Human Adenosine A2A Receptor.
Mol.Pharmacol., 87, 2015
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4UHW
 | | Human aldehyde oxidase | | Descriptor: | ALDEHYDE OXIDASE, DIOXOTHIOMOLYBDENUM(VI) ION, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Coelho, C, Romao, M.J, Santos-Silva, T. | | Deposit date: | 2015-03-26 | | Release date: | 2015-09-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural Insights Into Xenobiotic and Inhibitor Binding to Human Aldehyde Oxidase
Nat.Chem.Biol., 11, 2015
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4UGX
 | | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with N-(3-((ethyl(2-(3-fluorophenyl)ethyl)amino)methyl)phenyl)thiophene-2- carboximidamide | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORIDE ION, GLYCEROL, ... | | Authors: | Holden, J.K, Poulos, T.L. | | Deposit date: | 2015-03-22 | | Release date: | 2015-06-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Biochemistry, 54, 2015
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8AFE
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