4V2W
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![BU of 4v2w by Molmil](/molmil-images/mine/4v2w) | JMJD2A COMPLEXED WITH NI(II), NOG AND HISTONE H3K27me3 PEPTIDE (16-35) | Descriptor: | CHLORIDE ION, GLYCEROL, HISTONE H3.1T, ... | Authors: | Chowdhury, R, Zafred, D, Schofield, C.J. | Deposit date: | 2014-10-15 | Release date: | 2014-11-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Studies on the Catalytic Domains of Multiple Jmjc Oxygenases Using Peptide Substrates. Epigenetics, 9, 2014
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4UJB
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![BU of 4ujb by Molmil](/molmil-images/mine/4ujb) | Protein Kinase A in complex with an Inhibitor | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 7-[(3S,4R)-4-(3-fluorophenyl)carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, ... | Authors: | Alam, K.A, Engh, R.A. | Deposit date: | 2015-04-09 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.949 Å) | Cite: | Addressing the Glycine-Rich Loop of Protein Kinases by a Multi-Facetted Interaction Network: Inhibition of Pka and a Pkb Mimic. Chemistry, 22, 2016
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4UOK
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![BU of 4uok by Molmil](/molmil-images/mine/4uok) | Electron Cryo-microscopy of Venezuelan Equine Encephalitis Virus TC-83 in complex with neutralizing antibody Fab 3B4C-4 | 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: | 2014-06-04 | Release date: | 2014-09-17 | Last modified: | 2019-05-29 | Method: | ELECTRON MICROSCOPY (18 Å) | Cite: | Locking and blocking the viral landscape of an alphavirus with neutralizing antibodies. J.Virol., 88, 2014
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4V0J
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![BU of 4v0j by Molmil](/molmil-images/mine/4v0j) | The channel-block Ser202Glu, Thr104Lys double mutant of Stearoyl-ACP- Desaturase from Castor bean (Ricinus communis) | Descriptor: | ACYL-[ACYL-CARRIER-PROTEIN] DESATURASE, CHLOROPLASTIC, FE (II) ION, ... | Authors: | Moche, M, Guy, J, Whittle, E, Lindqvist, Y, Shanklin, J. | Deposit date: | 2014-09-17 | Release date: | 2015-08-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Half-of-the-Sites Reactivity of the Castor Delta9-18:0-Acp Desaturase. Plant Physiol., 169, 2015
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4UQY
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![BU of 4uqy by Molmil](/molmil-images/mine/4uqy) | Coevolution of the ATPase ClpV, the TssB-TssC Sheath and the Accessory HsiE Protein Distinguishes Two Type VI Secretion Classes | Descriptor: | HSIB1, HSIE1 | Authors: | Forster, A, Planamente, S, Manoli, E, Lossi, N.S, Freemont, P.S, Filloux, A. | Deposit date: | 2014-06-25 | Release date: | 2014-10-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Coevolution of the ATPase Clpv, the Sheath Proteins Tssb and Tssc and the Accessory Protein Tagj/Hsie1 Distinguishes Type Vi Secretion Classes. J.Biol.Chem., 289, 2014
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4UGQ
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![BU of 4ugq by Molmil](/molmil-images/mine/4ugq) | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with N,N''-(((2S)-3-aminopropane-1,2-diyl)bis(oxymethanediylbenzene-3,1- diyl))dithiophene-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 (1.85 Å) | Cite: | Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry, 54, 2015
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4UNK
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![BU of 4unk by Molmil](/molmil-images/mine/4unk) | Crystal structure of human triosephosphate isomerase (mutant N15D) | Descriptor: | TRIOSEPHOSPHATE ISOMERASE | Authors: | DeLaMora-DeLaMora, I, Torres-Larios, A, Enriquez-Flores, S, Mendez, S.T, Castillo-Villanueva, A, Gomez-Manzo, S, Lopez-Velazquez, G, Marcial-Quino, J, Torres-Arroyo, A, Garcia-Torres, I, Reyes-Vivas, H, Oria-Hernandez, J. | Deposit date: | 2014-05-29 | Release date: | 2015-02-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of Human Triosephosphate Isomerase (Mutant N15D) To be Published
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4UW3
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![BU of 4uw3 by Molmil](/molmil-images/mine/4uw3) | Human galectin-7 in complex with a galactose based dendron D1. | Descriptor: | DENDRON-D1, HUMAN GALECTIN-7 | Authors: | Ramaswamy, S, Sleiman, M.H, Masuyer, G, Arbez-Gindre, C, Micha-Screttas, M, Calogeropoulou, T, Steele, B.R, Acharya, K.R. | Deposit date: | 2014-08-08 | Release date: | 2014-11-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.479 Å) | Cite: | Structural Basis of Multivalent Galactose-Based Dendrimer Recognition by Human Galectin-7. FEBS J., 282, 2015
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4UH1
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![BU of 4uh1 by Molmil](/molmil-images/mine/4uh1) | Structure of rat neuronal nitric oxide synthase 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, ACETATE 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: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 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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4V40
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![BU of 4v40 by Molmil](/molmil-images/mine/4v40) | BETA-GALACTOSIDASE | Descriptor: | BETA-GALACTOSIDASE, MAGNESIUM ION | Authors: | Jacobson, R.H, Zhang, X, Dubose, R.F, Matthews, B.W. | Deposit date: | 1994-07-18 | Release date: | 2014-07-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Three-dimensional structure of beta-galactosidase from E. coli. Nature, 369, 1994
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4UH2
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![BU of 4uh2 by Molmil](/molmil-images/mine/4uh2) | Structure of rat neuronal nitric oxide synthase heme domain in complex with N1-(3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5-(trifluoromethyl)phenyl)-N1,N2-dimethylethane-1,2-diamine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N1-(3-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)-5-(TRIFLUOROMETHYL)PHENYL)-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 (1.991 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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4UJ4
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![BU of 4uj4 by Molmil](/molmil-images/mine/4uj4) | Crystal structure of human Rab11-Rabin8-FIP3 | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Rab-3A-interacting protein, ... | Authors: | Vetter, M, Lorentzen, E. | Deposit date: | 2015-04-08 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (4.2 Å) | Cite: | Structure of Rab11-FIP3-Rabin8 reveals simultaneous binding of FIP3 and Rabin8 effectors to Rab11. Nat. Struct. Mol. Biol., 22, 2015
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4UJ3
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![BU of 4uj3 by Molmil](/molmil-images/mine/4uj3) | Crystal structure of human Rab11-Rabin8-FIP3 | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, RAB-3A-INTERACTING PROTEIN, ... | Authors: | Vetter, M, Lorentzen, E. | Deposit date: | 2015-04-08 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of Rab11-Fip3-Rabin8 Reveals Simultaneous Binding of Fip3 and Rabin8 Effectors to Rab11. Nat.Struct.Mol.Biol., 22, 2015
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4W1U
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![BU of 4w1u by Molmil](/molmil-images/mine/4w1u) | |
4UM8
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![BU of 4um8 by Molmil](/molmil-images/mine/4um8) | Crystal structure of alpha V beta 6 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CACODYLATE ION, ... | Authors: | Dong, X, Springer, T.A. | Deposit date: | 2014-05-15 | Release date: | 2014-11-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.852 Å) | Cite: | Structural Determinants of Integrin Beta-Subunit Specificity for Latent Tgf-Beta Nat.Struct.Mol.Biol., 21, 2014
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4UJ0
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![BU of 4uj0 by Molmil](/molmil-images/mine/4uj0) | Crystal structure of the tomato defensin TPP3 | Descriptor: | ACETATE ION, FLOWER-SPECIFIC GAMMA-THIONIN-LIKE PROTEIN/ACIDIC PROTEIN | Authors: | Richter, V, Lay, F.T, Hulett, M.D, Kvansakul, M. | Deposit date: | 2015-04-07 | Release date: | 2015-04-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Tomato Defensin Tpp3 Binds Phosphatidylinositol (4,5)-Bisphosphate Via a Conserved Dimeric Cationic Grip Conformation to Mediate Cell Lysis. Mol.Cell.Biol., 35, 2015
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4V3V
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![BU of 4v3v by Molmil](/molmil-images/mine/4v3v) | Structure of rat neuronal nitric oxide synthase heme domain in complex with N-(2-(1H-imidazol-1-yl)-4-pyrimidylmethyl)-3-(3- fluorophenyl)propan-1-amine | Descriptor: | 3-(3-fluorophenyl)-N-{[2-(1H-imidazol-1-yl)pyrimidin-4-yl]methyl}propan-1-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2014-10-20 | Release date: | 2014-12-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
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4UOU
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![BU of 4uou by Molmil](/molmil-images/mine/4uou) | Crystal Structure of Fucose binding lectin from Aspergillus Fumigatus (AFL) - apo-form | Descriptor: | DI(HYDROXYETHYL)ETHER, FUCOSE-SPECIFIC LECTIN FLEA | Authors: | Houser, J, Komarek, J, Cioci, G, Varrot, A, Imberty, A, Wimmerova, M. | Deposit date: | 2014-06-10 | Release date: | 2015-03-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Insights Into Aspergillus Fumigatus Lectin Specificity: Afl Binding Sites are Functionally Non-Equivalent. Acta Crystallogr.,Sect.D, 71, 2015
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4UON
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![BU of 4uon by Molmil](/molmil-images/mine/4uon) | |
4V3Y
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![BU of 4v3y by Molmil](/molmil-images/mine/4v3y) | Structure of rat neuronal nitric oxide synthase heme domain in complex with N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(3- chlorophenyl)propan-1-amine | Descriptor: | 3-(3-chlorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2014-10-20 | Release date: | 2014-12-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.962 Å) | Cite: | Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
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4UGS
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![BU of 4ugs by Molmil](/molmil-images/mine/4ugs) | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with N,N'-(ethane-1,2-diylbis(oxybenzene-3,1-diyl))dithiophene-2- carboximidamide | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORIDE ION, N,N'-[ethane-1,2-diylbis(oxybenzene-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: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry, 54, 2015
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4UTJ
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![BU of 4utj by Molmil](/molmil-images/mine/4utj) | |
4V3X
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![BU of 4v3x by Molmil](/molmil-images/mine/4v3x) | Structure of rat neuronal nitric oxide synthase heme domain in complex with N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(3- fluorophenyl)propan-1-amine | Descriptor: | 3-(3-fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2014-10-20 | Release date: | 2014-12-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
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4UE1
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![BU of 4ue1 by Molmil](/molmil-images/mine/4ue1) | Structure of the stapled peptide YS-01 bound to MDM2 | Descriptor: | E3 UBIQUITIN-PROTEIN LIGASE MDM2, YS-01 | Authors: | Tan, Y.S, Reeks, J, Brown, C.J, Jennings, C.E, Eapen, R.S, Tng, Q.S, Thean, D, Ying, Y.T, Gago, F.J.F, Lane, D.P, Noble, M.E.M, Verma, C. | Deposit date: | 2014-12-14 | Release date: | 2016-01-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Benzene Probes in Molecular Dynamics Simulations Reveal Novel Binding Sites for Ligand Design. J Phys Chem Lett, 7, 2016
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4UTM
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![BU of 4utm by Molmil](/molmil-images/mine/4utm) | XenA - Reduced - Y183F variant in complex with 8-hydroxycoumarin | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, 8-HYDROXYCOUMARIN, SULFATE ION, ... | Authors: | Werther, T, Dobbek, H. | Deposit date: | 2014-07-21 | Release date: | 2015-08-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Redox-dependent substrate-cofactor interactions in the Michaelis-complex of a flavin-dependent oxidoreductase Nat Commun, 8, 2017
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