1JQH
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![BU of 1jqh by Molmil](/molmil-images/mine/1jqh) | IGF-1 receptor kinase domain | Descriptor: | IGF-1 receptor kinase, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Pautsch, A, Zoephel, A, Ahorn, H, Spevak, W, Hauptmann, R, Nar, H. | Deposit date: | 2001-08-07 | Release date: | 2002-04-19 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of bisphosphorylated IGF-1 receptor kinase: insight into domain movements upon kinase activation. Structure, 9, 2001
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4BB9
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![BU of 4bb9 by Molmil](/molmil-images/mine/4bb9) | Crystal structure of glucokinase regulatory protein complexed to fructose-1-phosphate | Descriptor: | 1-O-phosphono-beta-D-fructopyranose, CALCIUM ION, GLUCOKINASE REGULATORY PROTEIN | Authors: | Pautsch, A, Stadler, N, Loehle, A, Lenter, M, Rist, W, Berg, A, Glocker, L, Nar, H, Reinert, D, Heckel, A, Schnapp, G, Kauschke, S.G. | Deposit date: | 2012-09-21 | Release date: | 2013-05-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Crystal Structure of Glucokinase Regulatory Protein. Biochemistry, 52, 2013
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4BBA
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![BU of 4bba by Molmil](/molmil-images/mine/4bba) | Crystal structure of glucokinase regulatory protein complexed to phosphate | Descriptor: | GLUCOKINASE REGULATORY PROTEIN, PHOSPHATE ION | Authors: | Pautsch, A, Stadler, N, Loehle, A, Lenter, M, Rist, W, Berg, A, Glocker, L, Nar, H, Reinhart, D, Heckel, A, Schnapp, G, Kauschke, S.G. | Deposit date: | 2012-09-21 | Release date: | 2013-05-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Crystal Structure of Glucokinase Regulatory Protein. Biochemistry, 52, 2013
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2QLL
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![BU of 2qll by Molmil](/molmil-images/mine/2qll) | Human liver glycogen phosphorylase- GL complex | Descriptor: | Glycogen phosphorylase, liver form, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Pautsch, A, Streicher, R, Wissdorf, O, Stadler, N. | Deposit date: | 2007-07-13 | Release date: | 2008-02-19 | Last modified: | 2013-03-13 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Molecular recognition of the protein phosphatase 1 glycogen targeting subunit by glycogen phosphorylase. J.Biol.Chem., 283, 2008
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1QJP
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![BU of 1qjp by Molmil](/molmil-images/mine/1qjp) | |
2A78
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![BU of 2a78 by Molmil](/molmil-images/mine/2a78) | Crystal structure of the C3bot-RalA complex reveals a novel type of action of a bacterial exoenzyme | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Mono-ADP-ribosyltransferase C3, ... | Authors: | Pautsch, A, Vogelsgesang, M, Trankle, J, Herrmann, C, Aktories, K. | Deposit date: | 2005-07-05 | Release date: | 2005-10-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Crystal structure of the C3bot-RalA complex reveals a novel type of action of a bacterial exoenzyme. Embo J., 24, 2005
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2A9K
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![BU of 2a9k by Molmil](/molmil-images/mine/2a9k) | Crystal structure of the C3bot-NAD-RalA complex reveals a novel type of action of a bacterial exoenzyme | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Mono-ADP-ribosyltransferase C3, ... | Authors: | Pautsch, A, Vogelsgesang, M, Trankle, J, Herrmann, C, Aktories, K. | Deposit date: | 2005-07-12 | Release date: | 2005-10-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Crystal structure of the C3bot-RalA complex reveals a novel type of action of a bacterial exoenzyme. Embo J., 24, 2005
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6GPX
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![BU of 6gpx by Molmil](/molmil-images/mine/6gpx) | CRYSTAL STRUCTURE OF CCR2A IN COMPLEX WITH MK-0812 | Descriptor: | C-C chemokine receptor type 2,Rubredoxin,C-C chemokine receptor type 2, OLEIC ACID, ZINC ION, ... | Authors: | Pautsch, A, Schnapp, G, Cheng, R, Apel, A. | Deposit date: | 2018-06-07 | Release date: | 2019-01-02 | Last modified: | 2019-03-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal Structure of CC Chemokine Receptor 2A in Complex with an Orthosteric Antagonist Provides Insights for the Design of Selective Antagonists. Structure, 27, 2019
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6GPS
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![BU of 6gps by Molmil](/molmil-images/mine/6gps) | CRYSTAL STRUCTURE OF CCR2A IN COMPLEX WITH MK-0812 | Descriptor: | C-C chemokine receptor type 2,Rubredoxin,C-C chemokine receptor type 2, ZINC ION, [(3~{S},4~{S})-3-methoxyoxan-4-yl]-[(1~{R},3~{S})-3-propan-2-yl-3-[[3-(trifluoromethyl)-7,8-dihydro-5~{H}-1,6-naphthyridin-6-yl]carbonyl]cyclopentyl]azanium | Authors: | Pautsch, A, Schnapp, G. | Deposit date: | 2018-06-07 | Release date: | 2019-01-02 | Last modified: | 2019-03-13 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Crystal Structure of CC Chemokine Receptor 2A in Complex with an Orthosteric Antagonist Provides Insights for the Design of Selective Antagonists. Structure, 27, 2019
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3BW8
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![BU of 3bw8 by Molmil](/molmil-images/mine/3bw8) | Crystal structure of the Clostridium limosum C3 exoenzyme | Descriptor: | Mono-ADP-ribosyltransferase C3, SULFATE ION | Authors: | Vogelsgesang, M, Stieglitz, B, Herrmann, C, Pautsch, A, Aktories, K. | Deposit date: | 2008-01-08 | Release date: | 2008-04-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of the Clostridium limosum C3 exoenzyme. Febs Lett., 582, 2008
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3P0G
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![BU of 3p0g by Molmil](/molmil-images/mine/3p0g) | Structure of a nanobody-stabilized active state of the beta2 adrenoceptor | Descriptor: | 8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one, Beta-2 adrenergic receptor, Lysozyme, ... | Authors: | Rasmussen, S.G.F, Choi, H.-J, Fung, J.J, Pardon, E, Casarosa, P, Chae, P.S, DeVree, B.T, Rosenbaum, D.M, Thian, F.S, Kobilka, T.S, Schnapp, A, Konetzki, I, Sunahara, R.K, Gellman, S.H, Pautsch, A, Steyaert, J, Weis, W.I, Kobilka, B.K. | Deposit date: | 2010-09-28 | Release date: | 2011-01-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structure of a nanobody-stabilized active state of the b2 adrenoceptor Nature, 469, 2011
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8OMF
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![BU of 8omf by Molmil](/molmil-images/mine/8omf) | Crystal structure of hKHK-C in complex with compound-4 | Descriptor: | Ketohexokinase, SULFATE ION, compound | Authors: | Ebenhoch, R, Pautsch, A. | Deposit date: | 2023-03-31 | Release date: | 2023-09-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Crystal structures of human and mouse ketohexokinase provide a structural basis for species- and isoform-selective inhibitor design. Acta Crystallogr D Struct Biol, 79, 2023
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8OME
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![BU of 8ome by Molmil](/molmil-images/mine/8ome) | Crystal structure of hKHK-A in complex with compound-4 | Descriptor: | Ketohexokinase, compound | Authors: | Ebenhoch, R, Pautsch, A. | Deposit date: | 2023-03-31 | Release date: | 2023-09-27 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of human and mouse ketohexokinase provide a structural basis for species- and isoform-selective inhibitor design. Acta Crystallogr D Struct Biol, 79, 2023
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8OMD
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![BU of 8omd by Molmil](/molmil-images/mine/8omd) | Crystal structure of mKHK in complex with compound-4 | Descriptor: | Ketohexokinase, compound | Authors: | Ebenhoch, R, Pautsch, A. | Deposit date: | 2023-03-31 | Release date: | 2023-09-27 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of human and mouse ketohexokinase provide a structural basis for species- and isoform-selective inhibitor design. Acta Crystallogr D Struct Biol, 79, 2023
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8OMK
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![BU of 8omk by Molmil](/molmil-images/mine/8omk) | hKHK-C in complex with ADP & fructose 1-phosphate | Descriptor: | 1-O-phosphono-beta-D-fructofuranose, ADENOSINE-5'-DIPHOSPHATE, Ketohexokinase, ... | Authors: | Ebenhoch, R, Pautsch, A. | Deposit date: | 2023-03-31 | Release date: | 2024-01-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Discovery of BI-9787, a Potent Zwitterionic KHK-Inhibitor with Oral Bioavailability To Be Published
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7QXZ
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![BU of 7qxz by Molmil](/molmil-images/mine/7qxz) | X-ray structure of furin in complex with the dichlorophenylpyridine-based inhibitor 5 | Descriptor: | 2-[(3S)-1-[[2-[3,5-bis(chloranyl)phenyl]-6-[2-(4-methylpiperazin-4-ium-1-yl)pyrimidin-5-yl]oxy-pyridin-4-yl]methyl]pyrrolidin-1-ium-3-yl]oxyethanoic acid, CALCIUM ION, CHLORIDE ION, ... | Authors: | Dahms, S.O, Brandstetter, H, Pautsch, A. | Deposit date: | 2022-01-27 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Dichlorophenylpyridine-Based Molecules Inhibit Furin through an Induced-Fit Mechanism. Acs Chem.Biol., 17, 2022
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7QY1
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![BU of 7qy1 by Molmil](/molmil-images/mine/7qy1) | X-ray structure of furin in complex with the dichlorophenylpyridine-based inhibitor 4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyridin-2-yl]piperazin-1-ium-1-yl]propanoate, CALCIUM ION, ... | Authors: | Dahms, S.O, Brandstetter, H, Pautsch, A. | Deposit date: | 2022-01-27 | Release date: | 2022-04-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Dichlorophenylpyridine-Based Molecules Inhibit Furin through an Induced-Fit Mechanism. Acs Chem.Biol., 17, 2022
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7QXY
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![BU of 7qxy by Molmil](/molmil-images/mine/7qxy) | X-ray structure of furin in complex with the dichlorophenylpyridine-based inhibitor 3 | Descriptor: | 3-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyrimidin-2-yl]piperazin-1-ium-1-yl]propanoate, CALCIUM ION, CHLORIDE ION, ... | Authors: | Dahms, S.O, Brandstetter, H, Pautsch, A. | Deposit date: | 2022-01-27 | Release date: | 2022-04-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.478 Å) | Cite: | Dichlorophenylpyridine-Based Molecules Inhibit Furin through an Induced-Fit Mechanism. Acs Chem.Biol., 17, 2022
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7QY0
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![BU of 7qy0 by Molmil](/molmil-images/mine/7qy0) | X-ray structure of furin in complex with the dichlorophenylpyridine-based inhibitor 1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... | Authors: | Dahms, S.O, Brandstetter, H, Pautsch, A. | Deposit date: | 2022-01-27 | Release date: | 2022-04-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Dichlorophenylpyridine-Based Molecules Inhibit Furin through an Induced-Fit Mechanism. Acs Chem.Biol., 17, 2022
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7QY2
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![BU of 7qy2 by Molmil](/molmil-images/mine/7qy2) | X-ray structure of furin in complex with the dichlorophenylpyridine-based inhibitor 2 | Descriptor: | (2R)-4-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyrimidin-2-yl]piperazin-1-ium-1-yl]-2-methyl-butanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Dahms, S.O, Brandstetter, H, Pautsch, A. | Deposit date: | 2022-01-27 | Release date: | 2022-04-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Dichlorophenylpyridine-Based Molecules Inhibit Furin through an Induced-Fit Mechanism. Acs Chem.Biol., 17, 2022
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1BXW
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![BU of 1bxw by Molmil](/molmil-images/mine/1bxw) | |