4HNY
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![BU of 4hny by Molmil](/molmil-images/mine/4hny) | Apo N-terminal acetyltransferase complex A | Descriptor: | GLYCEROL, N-terminal acetyltransferase A complex catalytic subunit ARD1, N-terminal acetyltransferase A complex subunit NAT1, ... | Authors: | Neubauer, J.L, Immormino, R.M, Dollins, D.E, Endo-Streeter, S.T, Pemble IV, C.W, York, J.D. | Deposit date: | 2012-10-21 | Release date: | 2014-03-26 | Method: | X-RAY DIFFRACTION (2.249 Å) | Cite: | The Protein Complex NatA Binds Inositol Hexakisphosphate and Exhibits Conformational Flexibility To be Published
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4HNW
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![BU of 4hnw by Molmil](/molmil-images/mine/4hnw) | The NatA Acetyltransferase Complex Bound To Inositol Hexakisphosphate | Descriptor: | INOSITOL HEXAKISPHOSPHATE, N-terminal acetyltransferase A complex catalytic subunit ARD1, N-terminal acetyltransferase A complex subunit NAT1, ... | Authors: | Neubauer, J.L, Immormino, R.M, Dollins, D.E, Endo-Streeter, S.T, Pemble IV, C.W, York, J.D. | Deposit date: | 2012-10-21 | Release date: | 2014-03-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.801 Å) | Cite: | The Protein Complex NatA Binds Inositol Hexakisphosphate and Exhibits Conformational Flexibility To be Published
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6S4C
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![BU of 6s4c by Molmil](/molmil-images/mine/6s4c) | Crystal Structure of the vWFA2 subdomain of type VII collagen | Descriptor: | Collagen alpha-1(VII) chain, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Gebauer, J.M, Flachsenberg, F, Baumann, U, Seeger, K. | Deposit date: | 2019-06-27 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and biophysical characterization of the type VII collagen vWFA2 subdomain leads to identification of two binding sites. Febs Open Bio, 10, 2020
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4HNX
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![BU of 4hnx by Molmil](/molmil-images/mine/4hnx) | The NatA Acetyltransferase Complex Bound To ppGpp | Descriptor: | GUANOSINE-5',3'-TETRAPHOSPHATE, N-terminal acetyltransferase A complex catalytic subunit ARD1, N-terminal acetyltransferase A complex subunit NAT1 | Authors: | Neubauer, J.L, Immormino, R.M, Dollins, D.E, Endo-Streeter, S.T, Pemble IV, C.W, York, J.D. | Deposit date: | 2012-10-21 | Release date: | 2014-03-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.339 Å) | Cite: | The Protein Complex NatA Binds Inositol Hexakisphosphate and Exhibits Conformational Flexibility To be Published
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6HG7
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![BU of 6hg7 by Molmil](/molmil-images/mine/6hg7) | Crystal structure of a collagen II fragment containing the binding site of PEDF and COMP, (POG)4-LKG HRG FTG LQG-POG(4) | Descriptor: | Collagen alpha-1(II) chain, SULFATE ION | Authors: | Gebauer, J.M, Koehler, A, Dietmar, H, Gompert, M, Neundorf, I, Zaucke, F, Koch, M, Baumann, U. | Deposit date: | 2018-08-22 | Release date: | 2018-12-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | COMP and TSP-4 interact specifically with the novel GXKGHR motif only found in fibrillar collagens. Sci Rep, 8, 2018
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5TKD
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![BU of 5tkd by Molmil](/molmil-images/mine/5tkd) | CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH 6-[(3,5-DIMETHYLPHE NYL)AMINO]-8- (METHYLAMINO)IMIDAZO[1,2-B]PYRIDAZINE-3-CARBO XAMIDE | Descriptor: | 6-[(3,5-dimethylphenyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2, SULFATE ION | Authors: | Muckelbauer, J.K. | Deposit date: | 2016-10-06 | Release date: | 2016-12-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Identification of imidazo[1,2-b]pyridazine TYK2 pseudokinase ligands as potent and selective allosteric inhibitors of TYK2 signalling. Medchemcomm, 8, 2017
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1R9G
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![BU of 1r9g by Molmil](/molmil-images/mine/1r9g) | Three-dimensional Structure of YaaE from Bacillus subtilis | Descriptor: | Hypothetical protein yaaE | Authors: | Bauer, J.A, Bennett, E.M, Begley, T.P, Ealick, S.E. | Deposit date: | 2003-10-29 | Release date: | 2004-01-27 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Three-dimensional Structure of YaaE from Bacillus subtilis, a Glutaminase Implicated in Pyridoxal-5'-phosphate Biosynthesis. J.Biol.Chem., 279, 2004
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5T18
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![BU of 5t18 by Molmil](/molmil-images/mine/5t18) | Crystal structure of Bruton agammabulinemia tyrosine kinase complexed with BMS-986142 aka (2s)-6-fluoro-5-[3-(8-fluoro-1-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-2-methylphenyl]-2-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1h-carbazole-8-carboxamide | Descriptor: | 6-Fluoro-5-(R)-(3-(S)-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-2-methylphenyl)-2-(S)-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide, Tyrosine-protein kinase BTK | Authors: | Muckelbauer, J.K. | Deposit date: | 2016-08-18 | Release date: | 2017-03-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of 6-Fluoro-5-(R)-(3-(S)-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-2-methylphenyl)-2-(S)-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide (BMS-986142): A Reversible Inhibitor of Bruton's Tyrosine Kinase (BTK) Conformationally Constrained by Two Locked Atropisomers. J. Med. Chem., 59, 2016
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5TOL
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![BU of 5tol by Molmil](/molmil-images/mine/5tol) | CRYSTAL STRUCTURE OF BETA-SITE APP-CLEAVING ENZYME 1 COMPLEXED WITH N-(3-((4AS,7AS)-2-AMINO-4,4A,5,6-TETRAHYDRO-7AH-FURO[2,3-D][1,3]THIAZIN-7A-YL)-4-FLUOROPHENYL)-5-BROMO-2-PYRIDINECARBOXAMIDE | Descriptor: | Beta-secretase 1, N-{3-[(4aR,7aR)-2-amino-4,4a,5,6-tetrahydro-7aH-furo[2,3-d][1,3]thiazin-7a-yl]-4-fluorophenyl}-5-bromopyridine-2-carboxamide | Authors: | Muckelbauer, J.K. | Deposit date: | 2016-10-18 | Release date: | 2016-11-23 | Last modified: | 2016-12-07 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Discovery of furo[2,3-d][1,3]thiazinamines as beta amyloid cleaving enzyme-1 (BACE1) inhibitors. Bioorg.Med.Chem.Lett., 26, 2016
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3T2N
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![BU of 3t2n by Molmil](/molmil-images/mine/3t2n) | Human hepsin protease in complex with the Fab fragment of an inhibitory antibody | Descriptor: | Antibody, Fab fragment, Heavy Chain, ... | Authors: | Koschubs, T, Dengl, S, Duerr, H, Kaluza, K, Georges, G, Hartl, C, Jennewein, S, Lanzendoerfer, M, Auer, J, Stern, A, Huang, K.-S, Kostrewa, D, Ries, S, Hansen, S, Kohnert, U, Cramer, P, Mundigl, O. | Deposit date: | 2011-07-22 | Release date: | 2011-12-28 | Last modified: | 2012-07-25 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Allosteric antibody inhibition of human hepsin protease. Biochem.J., 442, 2012
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6ELE
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![BU of 6ele by Molmil](/molmil-images/mine/6ele) | FAB Fragment. AbVance: Increasing our knowledge of antibody structural space to enable faster and better decision making in antibody drug discovery | Descriptor: | 1,2-ETHANEDIOL, SODIUM ION, fAB heavy chain, ... | Authors: | Benz, J, Weigand, S, Dengl, S, Schlothauer, T, Auer, J, Ehler, A, Kettenberger, H, Lorenz, S, Hirschheydt, T, Georges, G. | Deposit date: | 2017-09-28 | Release date: | 2017-11-08 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | AbVance: increasing our knowledge of antibody structural space to enable faster and better decision making in antibody drug discovery To Be Published
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6EMJ
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![BU of 6emj by Molmil](/molmil-images/mine/6emj) | FAB Fragment. AbVance: Increasing our knowledge of antibody structural space to enable faster and better decision making in antibody drug discovery | Descriptor: | SODIUM ION, fAB heavy chain, fAb light chain | Authors: | Benz, J, Weigand, S, Dengl, S, Schlothauer, T, Auer, J, Ehler, A, Kettenberger, H, Lorenz, S, Hirschheydt, T, Georges, G. | Deposit date: | 2017-10-02 | Release date: | 2017-11-08 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | AbVance: increasing our knowledge of antibody structural space to enable faster and better decision making in antibody drug discovery To Be Published
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6ELL
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![BU of 6ell by Molmil](/molmil-images/mine/6ell) | FAB Fragment. AbVance: Increasing our knowledge of antibody structural space to enable faster and better decision making in antibody drug discovery | Descriptor: | fAB heavy chain, fAB light chain | Authors: | Benz, J, Weigand, S, Dengl, S, Schlothauer, T, Auer, J, Ehler, A, Kettenberger, H, Lorenz, S, Hirschheydt, T, Georges, G. | Deposit date: | 2017-09-29 | Release date: | 2017-11-08 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | AbVance: increasing our knowledge of antibody structural space to enable faster and better decision making in antibody drug discovery To Be Published
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6ELJ
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![BU of 6elj by Molmil](/molmil-images/mine/6elj) | FAB Fragment. AbVance: Increasing our knowledge of antibody structural space to enable faster and better decision making in antibody drug discovery | Descriptor: | fAB heavy chain, fAB light chain | Authors: | Benz, J, Weigand, S, Dengl, S, Schlothauer, T, Auer, J, Ehler, A, Kettenberger, H, Lorenz, S, Hirschheydt, T, Georges, G. | Deposit date: | 2017-09-29 | Release date: | 2017-11-08 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | AbVance: increasing our knowledge of antibody structural space to enable faster and better decision making in antibody drug discovery To Be Published
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1T6W
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![BU of 1t6w by Molmil](/molmil-images/mine/1t6w) | RATIONAL DESIGN OF A CALCIUM-BINDING ADHESION PROTEIN NMR, 20 STRUCTURES | Descriptor: | CALCIUM ION, hypothetical protein XP_346638 | Authors: | Yang, W, Wilkins, A.L, Ye, Y, Liu, Z.-R, Urbauer, J.L, Kearney, A, van der Merwe, P.A, Yang, J.J. | Deposit date: | 2004-05-07 | Release date: | 2005-02-15 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Design of a calcium-binding protein with desired structure in a cell adhesion molecule. J.Am.Chem.Soc., 127, 2005
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2MUI
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![BU of 2mui by Molmil](/molmil-images/mine/2mui) | |
6PCK
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![BU of 6pck by Molmil](/molmil-images/mine/6pck) | Crystal structure of human diphosphoinositol polyphosphate phosphohydrolase 1 in complex with 1-IP7 | Descriptor: | (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, ... | Authors: | Dollins, D.E, Neubauer, J, Dong, J, York, J.D. | Deposit date: | 2019-06-17 | Release date: | 2020-04-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Vip1 is a kinase and pyrophosphatase switch that regulates inositol diphosphate signaling. Proc.Natl.Acad.Sci.USA, 117, 2020
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6PCL
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![BU of 6pcl by Molmil](/molmil-images/mine/6pcl) | Crystal structure of human diphosphoinositol polyphosphate phosphohydrolase 1 in complex with 5-IP7 | Descriptor: | (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, ... | Authors: | Dollins, D.E, Neubauer, J, Dong, J, York, J.D. | Deposit date: | 2019-06-17 | Release date: | 2020-04-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Vip1 is a kinase and pyrophosphatase switch that regulates inositol diphosphate signaling. Proc.Natl.Acad.Sci.USA, 117, 2020
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7RJ8
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![BU of 7rj8 by Molmil](/molmil-images/mine/7rj8) | CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 ISOFORM 1 COMPLEXED WITH LIGAND (2R)-2-AMINO-N-[3-(DIFLUOROM ETHOXY)-4-(1,3-OXAZOL-5-YL)PHENYL]-4-METHYLPENTANAMIDE | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine, AP2-associated protein kinase 1, ... | Authors: | Pokross, M, Muckelbauer, J. | Deposit date: | 2021-07-20 | Release date: | 2022-02-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Bicyclic Heterocyclic Replacement of an Aryl Amide Leading to Potent and Kinase-Selective Adaptor Protein 2-Associated Kinase 1 Inhibitors. J.Med.Chem., 65, 2022
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5L3R
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![BU of 5l3r by Molmil](/molmil-images/mine/5l3r) | Structure of the GTPase heterodimer of chloroplast SRP54 and FtsY from Arabidopsis thaliana | Descriptor: | Cell division protein FtsY homolog, chloroplastic, GLYCEROL, ... | Authors: | Bange, G, Kribelbauer, J, Wild, K, Sinning, I. | Deposit date: | 2016-05-24 | Release date: | 2016-06-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Basis for Conserved Regulation and Adaptation of the Signal Recognition Particle Targeting Complex. J.Mol.Biol., 428, 2016
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8DJD
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![BU of 8djd by Molmil](/molmil-images/mine/8djd) | |
8DJE
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![BU of 8dje by Molmil](/molmil-images/mine/8dje) | CRYSTAL STRUCTURE OF GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH 3-[(CYCLOPROPYLMETHYL)AMINO] -N-(4-PHENYLPYRIDIN-3-YL)IMIDAZO[1,2-B]PYRIDAZINE-8-CARBOX AMIDE | Descriptor: | (4S)-3-[(cyclopropylmethyl)amino]-N-(4-phenylpyridin-3-yl)imidazo[1,2-b]pyridazine-8-carboxamide, Glycogen synthase kinase-3 beta | Authors: | Lewis, H.A, Muckelbauer, J.K. | Deposit date: | 2022-06-30 | Release date: | 2023-03-22 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.374 Å) | Cite: | Design, Structure-Activity Relationships, and In Vivo Evaluation of Potent and Brain-Penetrant Imidazo[1,2- b ]pyridazines as Glycogen Synthase Kinase-3 beta (GSK-3 beta ) Inhibitors. J.Med.Chem., 66, 2023
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8DJC
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![BU of 8djc by Molmil](/molmil-images/mine/8djc) | CRYSTAL STRUCTURE OF GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH (4S)-N-{4-[(2S)-2-methylmorpholin-4-yl] pyridin-3-yl}-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide | Descriptor: | (4S)-N-{4-[(2S)-2-methylmorpholin-4-yl]pyridin-3-yl}-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide, Glycogen synthase kinase-3 beta | Authors: | Lewis, H.A, Muckelbauer, J.K. | Deposit date: | 2022-06-30 | Release date: | 2023-03-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.463 Å) | Cite: | Design, Structure-Activity Relationships, and In Vivo Evaluation of Potent and Brain-Penetrant Imidazo[1,2- b ]pyridazines as Glycogen Synthase Kinase-3 beta (GSK-3 beta ) Inhibitors. J.Med.Chem., 66, 2023
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7BEE
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![BU of 7bee by Molmil](/molmil-images/mine/7bee) | |
7BDU
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![BU of 7bdu by Molmil](/molmil-images/mine/7bdu) | |