5UW5
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![BU of 5uw5 by Molmil](/molmil-images/mine/5uw5) | PCY1 H695A Variant in Complex with Follower Peptide | Descriptor: | CACODYLATE ION, CALCIUM ION, Peptide cyclase 1, ... | Authors: | Chekan, J.R, Nair, S.K. | Deposit date: | 2017-02-20 | Release date: | 2017-05-31 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Characterization of the macrocyclase involved in the biosynthesis of RiPP cyclic peptides in plants. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6C4J
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![BU of 6c4j by Molmil](/molmil-images/mine/6c4j) | Ligand bound full length hUGDH with A104L substitution | Descriptor: | CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, S-1,2-PROPANEDIOL, ... | Authors: | Beattie, N.R, Pioso, B.J, Wood, Z.A, Sidlo, A.M. | Deposit date: | 2018-01-12 | Release date: | 2018-05-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Hysteresis and Allostery in Human UDP-Glucose Dehydrogenase Require a Flexible Protein Core. Biochemistry, 57, 2018
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6BYS
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![BU of 6bys by Molmil](/molmil-images/mine/6bys) | Structures of the PKA RI alpha holoenzyme with the FLHCC driver J-PKAc alpha or native PRKAc alpha | Descriptor: | cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase type I-alpha regulatory subunit | Authors: | Cao, B, Lu, T.W, Martinez Fiesco, J.A, Tomasini, M, Fan, L, Simon, S.M, Taylor, S.S, Zhang, P. | Deposit date: | 2017-12-21 | Release date: | 2019-04-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (4.75 Å) | Cite: | Structures of the PKA RI alpha Holoenzyme with the FLHCC Driver J-PKAc alpha or Wild-Type PKAc alpha. Structure, 27, 2019
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4Y8D
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![BU of 4y8d by Molmil](/molmil-images/mine/4y8d) | Crystal structure of Cyclin-G associated kinase (GAK) complexed with selective 12i inhibitor | Descriptor: | 1,2-ETHANEDIOL, 2-methoxy-4-[3-(morpholin-4-yl)[1,2]thiazolo[4,3-b]pyridin-6-yl]aniline, Cyclin-G-associated kinase, ... | Authors: | Chaikuad, A, Heroven, C, Nowak, R, De Jonghe, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2015-02-16 | Release date: | 2015-04-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Selective Inhibitors of Cyclin G Associated Kinase (GAK) as Anti-Hepatitis C Agents. J.Med.Chem., 58, 2015
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5V34
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![BU of 5v34 by Molmil](/molmil-images/mine/5v34) | Ethylene forming enzyme in complex with manganese, malic acid and L-arginine | Descriptor: | 2-oxoglutarate-dependent ethylene/succinate-forming enzyme, ARGININE, D-MALATE, ... | Authors: | Fellner, M, Martinez, S, Hu, J, Hausinger, R.P. | Deposit date: | 2017-03-06 | Release date: | 2017-08-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Structures and Mechanisms of the Non-Heme Fe(II)- and 2-Oxoglutarate-Dependent Ethylene-Forming Enzyme: Substrate Binding Creates a Twist. J. Am. Chem. Soc., 139, 2017
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5V3J
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![BU of 5v3j by Molmil](/molmil-images/mine/5v3j) | mouseZFP568-ZnF1-10 in complex with DNA | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA (26-MER), MAGNESIUM ION, ... | Authors: | Patel, A, Cheng, X. | Deposit date: | 2017-03-07 | Release date: | 2018-03-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.064 Å) | Cite: | DNA Conformation Induces Adaptable Binding by Tandem Zinc Finger Proteins. Cell, 173, 2018
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4YX4
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![BU of 4yx4 by Molmil](/molmil-images/mine/4yx4) | Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (1). | Descriptor: | Carbonic anhydrase 2, GLYCEROL, MERCURIBENZOIC ACID, ... | Authors: | Rechlin, C, Heine, A, Klebe, G. | Deposit date: | 2015-03-22 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.01 Å) | Cite: | Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies. J.Med.Chem., 59, 2016
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4Y97
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![BU of 4y97 by Molmil](/molmil-images/mine/4y97) | Crystal Structure of human Pol alpha B-subunit in complex with C-terminal domain of catalytic subunit | Descriptor: | DNA polymerase alpha catalytic subunit, DNA polymerase alpha subunit B, ZINC ION | Authors: | Suwa, Y, Gu, J, Baranovskiy, A.G, Babayeva, N.D, Tahirov, T.H. | Deposit date: | 2015-02-17 | Release date: | 2015-04-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Crystal Structure of the Human Pol alpha B Subunit in Complex with the C-terminal Domain of the Catalytic Subunit. J.Biol.Chem., 290, 2015
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4YB7
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![BU of 4yb7 by Molmil](/molmil-images/mine/4yb7) | Adenosine triphosphate phosphoribosyltransferase from Campylobacter jejuni in complex with ATP | Descriptor: | ACETIC ACID, ADENOSINE-5'-TRIPHOSPHATE, ATP phosphoribosyltransferase, ... | Authors: | Mittelstaedt, G, Moggre, G.-J, Parker, E.J. | Deposit date: | 2015-02-18 | Release date: | 2016-03-09 | Last modified: | 2018-09-05 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Campylobacter jejuni adenosine triphosphate phosphoribosyltransferase is an active hexamer that is allosterically controlled by the twisting of a regulatory tail. Protein Sci., 25, 2016
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2P9W
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![BU of 2p9w by Molmil](/molmil-images/mine/2p9w) | Crystal Structure of the Major Malassezia sympodialis Allergen Mala s 1 | Descriptor: | CHLORIDE ION, GLYCEROL, Mal s 1 allergenic protein, ... | Authors: | Vilhelmsson, M, Zargari, A, Crameri, R, Rasool, O, Achour, A, Scheynius, A, Hallberg, B.M. | Deposit date: | 2007-03-26 | Release date: | 2007-05-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Crystal Structure of the Major Malassezia sympodialis Allergen Mala s 1 Reveals a beta-Propeller Fold: A Novel Fold Among Allergens. J.Mol.Biol., 369, 2007
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5V5V
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![BU of 5v5v by Molmil](/molmil-images/mine/5v5v) | Complex of NLGN2 with MDGA1 Ig1-Ig2 | Descriptor: | MAM domain-containing glycosylphosphatidylinositol anchor protein 1, Neuroligin-2 | Authors: | Gangwar, S.P, Machius, M, Rudenko, G. | Deposit date: | 2017-03-15 | Release date: | 2017-07-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (4.11 Å) | Cite: | Molecular Mechanism of MDGA1: Regulation of Neuroligin 2:Neurexin Trans-synaptic Bridges. Neuron, 94, 2017
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4YCN
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![BU of 4ycn by Molmil](/molmil-images/mine/4ycn) | Crystal structure of the calcium pump with bound marine macrolide BLLB | Descriptor: | (4S,5E,8S,9E,11S,13E,15E,18R)-4-hydroxy-8-methoxy-9,11-dimethyl-18-[(1Z,4E)-2-methylhexa-1,4-dien-1-yl]oxacyclooctadeca-5,9,13,15-tetraen-2-one, PHOSPHATIDYLETHANOLAMINE, SODIUM ION, ... | Authors: | Morita, M, Ogawa, H, Ohno, O, Yamori, T, Suenaga, K, Toyoshima, C. | Deposit date: | 2015-02-20 | Release date: | 2016-01-13 | Last modified: | 2020-02-05 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Biselyngbyasides, cytotoxic marine macrolides, are novel and potent inhibitors of the Ca(2+) pumps with a unique mode of binding Febs Lett., 589, 2015
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4YD4
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5V31
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![BU of 5v31 by Molmil](/molmil-images/mine/5v31) | Ethylene forming enzyme in complex with manganese and L-arginine | Descriptor: | 2-oxoglutarate-dependent ethylene/succinate-forming enzyme, ARGININE, MANGANESE (II) ION | Authors: | Fellner, M, Martinez, S, Hu, J, Hausinger, R.P. | Deposit date: | 2017-03-06 | Release date: | 2017-08-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structures and Mechanisms of the Non-Heme Fe(II)- and 2-Oxoglutarate-Dependent Ethylene-Forming Enzyme: Substrate Binding Creates a Twist. J. Am. Chem. Soc., 139, 2017
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2P0I
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![BU of 2p0i by Molmil](/molmil-images/mine/2p0i) | Crystal structure of L-rhamnonate dehydratase from Gibberella zeae | Descriptor: | GLYCEROL, L-rhamnonate dehydratase, SULFATE ION | Authors: | Patskovsky, Y, Toro, R, Sauder, J.M, Dickey, M, Logan, C, Gheyi, T, Wasserman, S.R, Smith, D, Gerlt, J, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-02-28 | Release date: | 2007-03-13 | Last modified: | 2021-02-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of L-Rhamnonate Dehydratase from Gibberella Zeae To be Published
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5UP4
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2PDA
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![BU of 2pda by Molmil](/molmil-images/mine/2pda) | |
5UVR
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![BU of 5uvr by Molmil](/molmil-images/mine/5uvr) | |
4YMG
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![BU of 4ymg by Molmil](/molmil-images/mine/4ymg) | Crystal structure of SAM-bound Podospora anserina methyltransferase PaMTH1 | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, Putative SAM-dependent O-methyltranferase, ... | Authors: | Kudlinzki, D, Linhard, V.L, Chatterjee, D, Saxena, K, Sreeramulu, S, Schwalbe, H. | Deposit date: | 2015-03-06 | Release date: | 2015-05-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.899 Å) | Cite: | Structure and Biophysical Characterization of the S-Adenosylmethionine-dependent O-Methyltransferase PaMTH1, a Putative Enzyme Accumulating during Senescence of Podospora anserina. J.Biol.Chem., 290, 2015
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4YMQ
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![BU of 4ymq by Molmil](/molmil-images/mine/4ymq) | X-ray co-structure of nuclear receptor ROR-GAMMAT + SRC2 peptide with a benzothiadiazole dioxide inverse agonist | Descriptor: | 4-{3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzyl]-2,2-dioxido-2,1,3-benzothiadiazol-1(3H)-yl}-N-[(2R)-4-hydroxybutan-2-yl]-N-methylbutanamide, GLYCEROL, Nuclear receptor ROR-gamma, ... | Authors: | li, X. | Deposit date: | 2015-03-07 | Release date: | 2015-04-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of 1,3-dihydro-2,1,3-benzothiadiazole 2,2-dioxide analogs as new RORC modulators. Bioorg.Med.Chem.Lett., 25, 2015
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6BNQ
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5UX1
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![BU of 5ux1 by Molmil](/molmil-images/mine/5ux1) | |
4YUE
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![BU of 4yue by Molmil](/molmil-images/mine/4yue) | Mouse IL-2 Bound to S4B6 Fab Fragment | Descriptor: | GLYCEROL, Interleukin-2, S4B6 Fab heavy chain, ... | Authors: | Spangler, J.B, Jude, K.M, Garcia, K.C. | Deposit date: | 2015-03-18 | Release date: | 2015-07-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.194 Å) | Cite: | Antibodies to Interleukin-2 Elicit Selective T Cell Subset Potentiation through Distinct Conformational Mechanisms. Immunity, 42, 2015
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6AV6
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![BU of 6av6 by Molmil](/molmil-images/mine/6av6) | Structure of human endothelial nitric oxide synthase heme domain in complex with 6-(3-Fluoro-5-(3-(methylamino)propyl)phenethyl)-4-methylpyridin-2-amine | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{3-fluoro-5-[3-(methylamino)propyl]phenyl}ethyl)-4-methylpyridin-2-amine, ... | 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 (2.08 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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2PBN
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![BU of 2pbn by Molmil](/molmil-images/mine/2pbn) | Crystal structure of the human tyrosine receptor phosphate gamma | Descriptor: | Receptor-type tyrosine-protein phosphatase gamma, SULFATE ION | Authors: | Bonanno, J.B, Freeman, J, Bain, K.T, Reyes, C, Pelletier, L, Jin, X, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-03-28 | Release date: | 2007-04-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural genomics of protein phosphatases. J.Struct.Funct.Genom., 8, 2007
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