4WA4
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![BU of 4wa4 by Molmil](/molmil-images/mine/4wa4) | The crystal structure of neuraminidase from a H3N8 influenza virus isolated from New England harbor seals in complex with oseltamivir carboxylate | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, Neuraminidase, ... | Authors: | Yang, H, Villanueva, J.M, Gubareva, L.V, Stevens, J. | Deposit date: | 2014-08-28 | Release date: | 2015-01-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural and Functional Analysis of Surface Proteins from an A(H3N8) Influenza Virus Isolated from New England Harbor Seals. J.Virol., 89, 2015
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4UOM
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![BU of 4uom by Molmil](/molmil-images/mine/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: | 2017-08-23 | 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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4WB4
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![BU of 4wb4 by Molmil](/molmil-images/mine/4wb4) | wt SA11 NSP4_CCD | Descriptor: | CALCIUM ION, Non-structural glycoprotein NSP4 | Authors: | Viskovska, M, Sastri, N.P, Hyser, J.M, Tanner, M.R, Horton, L.B, Sankaran, B, Prasad, B.V.V, Estes, M.K. | Deposit date: | 2014-09-02 | Release date: | 2014-09-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Structural Plasticity of the Coiled-Coil Domain of Rotavirus NSP4. J.Virol., 88, 2014
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4UG6
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![BU of 4ug6 by Molmil](/molmil-images/mine/4ug6) | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 6,6'-(pyridine-3,5-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine) | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-(pyridine-3,5-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine), CHLORIDE ION, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2015-03-22 | Release date: | 2015-06-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry, 54, 2015
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4UGK
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![BU of 4ugk by Molmil](/molmil-images/mine/4ugk) | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 6-(2-(5-(2-(Dimethylamino)ethyl)pyridin-3-yl)ethyl)-4-methylpyridin-2- amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[2-[5-[2-(dimethylamino)ethyl]pyridin-3-yl]ethyl]-4-methyl-pyridin-2-amine, CHLORIDE ION, ... | 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 (1.62 Å) | Cite: | Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry, 54, 2015
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4UGU
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![BU of 4ugu by Molmil](/molmil-images/mine/4ugu) | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with N'-(4-(((2S,4R)-4-(3-((C-thiophen-2-ylcarbonimidoyl)amino)phenoxy) pyrrolidin-2-yl)methoxy)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 (1.801 Å) | Cite: | Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry, 54, 2015
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4UUG
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![BU of 4uug by Molmil](/molmil-images/mine/4uug) | The (R)-selective amine transaminase from Aspergillus fumigatus with inhibitor bound | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 3-[O-PHOSPHONOPYRIDOXYL]--AMINO-BENZOIC ACID, ... | Authors: | Thomsen, M, Hinrichs, W. | Deposit date: | 2014-07-28 | Release date: | 2014-11-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural and Biochemical Characterization of the Dual Substrate Recognition of the (R)-Selective Amine Transaminase from Aspergillus Fumigatus FEBS J., 282, 2015
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4UU7
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![BU of 4uu7 by Molmil](/molmil-images/mine/4uu7) | Crystal structure of zebrafish Sirtuin 5 in complex with 3-methyl- succinylated CPS1-peptide | Descriptor: | (2R)-2-methylbutanedioic acid, (2S)-2-methylbutanedioic acid, 1,2-ETHANEDIOL, ... | Authors: | Pannek, M, Gertz, M, Steegborn, C. | Deposit date: | 2014-07-24 | Release date: | 2014-08-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors. Angew.Chem.Int.Ed.Engl., 53, 2014
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4UTR
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![BU of 4utr by Molmil](/molmil-images/mine/4utr) | Crystal structure of zebrafish Sirtuin 5 in complex with glutarylated CPS1-peptide | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, GLUTARIC ACID, ... | Authors: | Pannek, M, Gertz, M, Steegborn, C. | Deposit date: | 2014-07-22 | Release date: | 2014-08-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors. Angew.Chem.Int.Ed.Engl., 53, 2014
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4UU8
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![BU of 4uu8 by Molmil](/molmil-images/mine/4uu8) | Crystal structure of zebrafish Sirtuin 5 in complex with 3,3-dimethyl- succinylated CPS1-peptide | Descriptor: | 1,2-ETHANEDIOL, 2,2-dimethylbutanedioic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Pannek, M, Gertz, M, Steegborn, C. | Deposit date: | 2014-07-24 | Release date: | 2014-08-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors. Angew.Chem.Int.Ed.Engl., 53, 2014
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4UUB
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![BU of 4uub by Molmil](/molmil-images/mine/4uub) | Crystal structure of zebrafish Sirtuin 5 in complex with 2R-butyl- succinylated CPS1-peptide | Descriptor: | (2R)-2-butylbutanedioic acid, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Pannek, M, Gertz, M, Steegborn, C. | Deposit date: | 2014-07-25 | Release date: | 2014-08-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors. Angew.Chem.Int.Ed.Engl., 53, 2014
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4UTV
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![BU of 4utv by Molmil](/molmil-images/mine/4utv) | Crystal structure of zebrafish Sirtuin 5 in complex with 3-phenyl- succinylated CPS1-peptide | Descriptor: | (2R)-2-phenylbutanedioic acid, (2S)-2-phenylbutanedioic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Pannek, M, Gertz, M, Steegborn, C. | Deposit date: | 2014-07-23 | Release date: | 2014-08-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors. Angew.Chem.Int.Ed.Engl., 53, 2014
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4UTX
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![BU of 4utx by Molmil](/molmil-images/mine/4utx) | Crystal structure of zebrafish Sirtuin 5 in complex with 3-nitro- propionylated CPS1-peptide | Descriptor: | 1,2-ETHANEDIOL, 3-NITROPROPANOIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Pannek, M, Gertz, M, Steegborn, C. | Deposit date: | 2014-07-23 | Release date: | 2014-08-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors. Angew.Chem.Int.Ed.Engl., 53, 2014
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4UND
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![BU of 4und by Molmil](/molmil-images/mine/4und) | HUMAN ARTD1 (PARP1) - CATALYTIC DOMAIN IN COMPLEX WITH INHIBITOR TALAZOPARIB | Descriptor: | (8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one, POLY [ADP-RIBOSE] POLYMERASE 1, SODIUM ION | Authors: | Karlberg, T, Thorsell, A.G, Ekblad, T, Klepsch, M, Pinto, A.F, Tresaugues, L, Moche, M, Schuler, H. | Deposit date: | 2014-05-27 | Release date: | 2015-06-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Basis for Potency and Promiscuity in Poly(ADP-ribose) Polymerase (PARP) and Tankyrase Inhibitors. J. Med. Chem., 60, 2017
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4UTZ
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![BU of 4utz by Molmil](/molmil-images/mine/4utz) | Crystal structure of zebrafish Sirtuin 5 in complex with adipoylated CPS1-peptide | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CARBAMOYLPHOSPHATE SYNTHETASE I, ... | Authors: | Pannek, M, Gertz, M, Steegborn, C. | Deposit date: | 2014-07-24 | Release date: | 2014-08-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors. Angew.Chem.Int.Ed.Engl., 53, 2014
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4UUA
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![BU of 4uua by Molmil](/molmil-images/mine/4uua) | Crystal structure of zebrafish Sirtuin 5 in complex with 3S-Z-amino- succinylated CPS1-peptide | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CARBAMOYLPHOSPHATE SYNTHETASE I, ... | Authors: | Pannek, M, Gertz, M, Steegborn, C. | Deposit date: | 2014-07-25 | Release date: | 2014-08-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors. Angew.Chem.Int.Ed.Engl., 53, 2014
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4UQR
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![BU of 4uqr by Molmil](/molmil-images/mine/4uqr) | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with N-omega-Nitro-L-Arginine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2014-06-24 | Release date: | 2014-09-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Identification of Redox Partners and Development of a Novel Chimeric Bacterial Nitric Oxide Synthase for Structure Activity Analyses. J.Biol.Chem., 289, 2014
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4UBW
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![BU of 4ubw by Molmil](/molmil-images/mine/4ubw) | |
4UWO
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![BU of 4uwo by Molmil](/molmil-images/mine/4uwo) | Native di-zinc VIM-26. Leu224 in VIM-26 from Klebsiella pneumoniae has implications for drug binding. | Descriptor: | GLYCEROL, METALLO-BETA-LACTAMASE VIM-26, SODIUM ION, ... | Authors: | Leiros, H.-K.S, Edvardsen, K.S.W, Bjerga, G.E.K, Samuelsen, O. | Deposit date: | 2014-08-14 | Release date: | 2015-02-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.555 Å) | Cite: | Structural and Biochemical Characterization of Vim-26 Show that Leu224 Has Implications for the Substrate Specificity of Vim Metallo-Beta-Lactamases. FEBS J., 282, 2015
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4UXG
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![BU of 4uxg by Molmil](/molmil-images/mine/4uxg) | Crystal structure of the carboxy-terminal region of the bacteriophage T4 proximal long tail fibre protein gp34, R32 native crystal | Descriptor: | LARGE TAIL FIBER PROTEIN P34 | Authors: | Granell, M, Alvira, S, Garcia-Doval, C, Singh, A.K, van Raaij, M.J. | Deposit date: | 2014-08-22 | Release date: | 2015-09-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal Structure of the Carboxy-Terminal Region of the Bacteriophage T4 Proximal Long Tail Fiber Protein Gp34. Viruses, 9, 2017
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4UGM
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![BU of 4ugm by Molmil](/molmil-images/mine/4ugm) | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with N,N'-(ethane-1,2-diyldibenzene-3,1-diyl)dithiophene-2-carboximidamide | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORIDE ION, N,N'-(ethane-1,2-diyldibenzene-3,1-diyl)dithiophene-2-carboximidamide, ... | 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 (2.09 Å) | Cite: | Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry, 54, 2015
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4V06
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![BU of 4v06 by Molmil](/molmil-images/mine/4v06) | Crystal structure of human tryptophan hydroxylase 2 (TPH2), catalytic domain | Descriptor: | FE (III) ION, IMIDAZOLE, TRYPTOPHAN 5-HYDROXYLASE 2 | Authors: | Kopec, J, Oberholzer, A, Fitzpatrick, F, Newman, J, Tallant, C, Kiyani, W, Shrestha, L, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W. | Deposit date: | 2014-09-11 | Release date: | 2014-10-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Crystal Structure of Human Tryptophane Hydroxylase 2 (Tph2), Catalytic Domain To be Published
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4UWN
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![BU of 4uwn by Molmil](/molmil-images/mine/4uwn) | Lysozyme soaked with a ruthenium based CORM with a methione oxide ligand (complex 6b) | Descriptor: | CARBON MONOXIDE, CHLORIDE ION, GLYCEROL, ... | Authors: | Santos, M.F.A, Mukhopadhyay, A, Romao, M.J, Romao, C.C, Santos-Silva, T. | Deposit date: | 2014-08-13 | Release date: | 2014-12-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | A Contribution to the Rational Design of Ru(Co)3Cl2L Complexes for in Vivo Delivery of Co. Dalton Trans, 44, 2015
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4UWR
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![BU of 4uwr by Molmil](/molmil-images/mine/4uwr) | Mono-zinc VIM-26. Leu224 in VIM-26 from Klebsiella pneumoniae has implications for drug binding. | Descriptor: | FORMIC ACID, METALLO-BETA-LACTAMASE VIM-26, SODIUM ION, ... | Authors: | Leiros, H.-K.S, Edvardsen, K.S.W, Bjerga, G.E.K, Samuelsen, O. | Deposit date: | 2014-08-14 | Release date: | 2015-02-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural and Biochemical Characterization of Vim-26 Show that Leu224 Has Implications for the Substrate Specificity of Vim Metallo-Beta-Lactamases. FEBS J., 282, 2015
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4V1H
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![BU of 4v1h by Molmil](/molmil-images/mine/4v1h) | |