3NKU
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![BU of 3nku by Molmil](/molmil-images/mine/3nku) | Crystal structure of the N-terminal domain of DrrA/SidM from Legionella pneumophila | Descriptor: | DI(HYDROXYETHYL)ETHER, DrrA, TRIETHYLENE GLYCOL | Authors: | Mueller, M.P, Peters, H, Blankenfeldt, W, Goody, R.S, Itzen, A. | Deposit date: | 2010-06-21 | Release date: | 2010-08-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Legionella effector protein DrrA AMPylates the membrane traffic regulator Rab1b. Science, 329, 2010
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3N6O
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![BU of 3n6o by Molmil](/molmil-images/mine/3n6o) | Crystal structure of the GEF and P4M domain of DrrA/SidM from Legionella pneumophila | Descriptor: | SULFATE ION, guanine nucleotide exchange factor | Authors: | Schoebel, S, Blankenfeldt, W, Goody, R.S, Itzen, A. | Deposit date: | 2010-05-26 | Release date: | 2010-07-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | High-affinity binding of phosphatidylinositol 4-phosphate by Legionella pneumophila DrrA. Embo Rep., 11, 2010
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8ANP
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![BU of 8anp by Molmil](/molmil-images/mine/8anp) | Legionella effector Lem3 mutant D190A in complex with Mg2+ | Descriptor: | MAGNESIUM ION, Phosphocholine hydrolase Lem3, SULFATE ION, ... | Authors: | Kaspers, M.S, Pogenberg, V, Ernst, S, Ecker, F, Pett, C, Ochtrop, P, Hedberg, C, Groll, M, Itzen, A. | Deposit date: | 2022-08-05 | Release date: | 2023-04-12 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Dephosphocholination by Legionella effector Lem3 functions through remodelling of the switch II region of Rab1b. Nat Commun, 14, 2023
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5OEC
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![BU of 5oec by Molmil](/molmil-images/mine/5oec) | Human Rab32 (18-201):GDP in complex with Salmonella GtgE (21-214) C45A mutant | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GtgE, MAGNESIUM ION, ... | Authors: | Wachtel, R, Braeuning, B, Mader, S.L, Ecker, F, Kaila, V.R.I, Groll, M, Itzen, A. | Deposit date: | 2017-07-07 | Release date: | 2018-01-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The protease GtgE from Salmonella exclusively targets inactive Rab GTPases. Nat Commun, 9, 2018
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4OOJ
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![BU of 4ooj by Molmil](/molmil-images/mine/4ooj) | Crystal structure of the N-terminal domain of the Legionella pneumophila protein SidC at 2.4A resolution | Descriptor: | DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, SidC, ... | Authors: | Gazdag, E.M, Shoebel, S, Shkumatov, A.V, Goody, R.S, Itzen, A. | Deposit date: | 2014-02-03 | Release date: | 2014-02-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The structure of the N-terminal domain of the Legionella protein SidC J.Struct.Biol., 186, 2014
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4PHG
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![BU of 4phg by Molmil](/molmil-images/mine/4phg) | Crystal structure of Ypt7 covalently modified with GTP | Descriptor: | GTP-binding protein YPT7, MAGNESIUM ION, N-[3-(propanoylamino)propyl]guanosine 5'-(tetrahydrogen triphosphate), ... | Authors: | Koch, D, Wiegandt, D, Vieweg, S, Hofmann, F, Wu, Y, Itzen, A, Mueller, M.P, Goody, R.S. | Deposit date: | 2014-05-06 | Release date: | 2014-05-28 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Locking GTPases covalently in their functional states. Nat Commun, 6, 2015
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4PHH
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![BU of 4phh by Molmil](/molmil-images/mine/4phh) | Crystal structure of Ypt7 covalently modified with GNP | Descriptor: | 5'-O-[(R)-hydroxy{[(S)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-N-[3-(propanoylamino)propyl]guanosine, CHLORIDE ION, GTP-binding protein YPT7, ... | Authors: | Wiegandt, D, Vieweg, S, Hofmann, F, Koch, D, Wu, Y, Itzen, A, Mueller, M.P, Goody, R.S. | Deposit date: | 2014-05-06 | Release date: | 2014-05-28 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Locking GTPases covalently in their functional states. Nat Commun, 6, 2015
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5O74
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![BU of 5o74 by Molmil](/molmil-images/mine/5o74) | Crystal structure of human Rab1b covalently bound to the GEF domain of DrrA/SidM from Legionella pneumophila in the presence of GDP | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Multifunctional virulence effector protein DrrA, Ras-related protein Rab-1B | Authors: | Cigler, M, Mueller, T, Horn-Ghetko, D, von Wrisberg, M.K, Fottner, M, Goody, R.S, Itzen, A, Mueller, M.P, Lang, K. | Deposit date: | 2017-06-08 | Release date: | 2017-10-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Proximity-Triggered Covalent Stabilization of Low-Affinity Protein Complexes In Vitro and In Vivo. Angew. Chem. Int. Ed. Engl., 56, 2017
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5OED
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![BU of 5oed by Molmil](/molmil-images/mine/5oed) | Human Rab32:GDP in complex with Salmonella GtgE C45A mutant | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GtgE, MAGNESIUM ION, ... | Authors: | Wachtel, R, Braeuning, B, Mader, S.L, Ecker, F, Kaila, V.R.I, Groll, M, Itzen, A. | Deposit date: | 2017-07-07 | Release date: | 2018-01-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The protease GtgE from Salmonella exclusively targets inactive Rab GTPases. Nat Commun, 9, 2018
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4PHF
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![BU of 4phf by Molmil](/molmil-images/mine/4phf) | Crystal structure of Ypt7 covalently modified with GDP | Descriptor: | GTP-binding protein YPT7, MAGNESIUM ION, N-[3-(propanoylamino)propyl]guanosine 5'-(trihydrogen diphosphate), ... | Authors: | Vieweg, S, Wiegandt, D, Hofmann, F, Koch, D, Wu, Y, Itzen, A, Mueller, M.P, Goody, R.S. | Deposit date: | 2014-05-06 | Release date: | 2014-05-28 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Locking GTPases covalently in their functional states. Nat Commun, 6, 2015
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4LI0
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![BU of 4li0 by Molmil](/molmil-images/mine/4li0) | Crystal structure of GDP-bound Rab8:GRAB | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide exchange factor for Rab-3A, Ras-related protein Rab-8A | Authors: | Guo, Z, Hou, X.M, Goody, R.S, Itzen, A. | Deposit date: | 2013-07-01 | Release date: | 2013-10-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Intermediates in the Guanine Nucleotide Exchange Reaction of Rab8 Protein Catalyzed by Guanine Nucleotide Exchange Factors Rabin8 and GRAB. J.Biol.Chem., 288, 2013
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4LHW
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![BU of 4lhw by Molmil](/molmil-images/mine/4lhw) | Crystal structure of Rab8 in its active GppNHp-bound form | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Guo, Z, Hou, X.M, Goody, R.S, Itzen, A. | Deposit date: | 2013-07-01 | Release date: | 2013-10-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Intermediates in the Guanine Nucleotide Exchange Reaction of Rab8 Protein Catalyzed by Guanine Nucleotide Exchange Factors Rabin8 and GRAB. J.Biol.Chem., 288, 2013
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4LHX
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![BU of 4lhx by Molmil](/molmil-images/mine/4lhx) | Crystal structure of nucleotide-free Rab8:Rabin8 | Descriptor: | Rab-3A-interacting protein, Ras-related protein Rab-8A, SULFATE ION | Authors: | Guo, Z, Hou, X.M, Goody, R.S, Itzen, A. | Deposit date: | 2013-07-01 | Release date: | 2013-10-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Intermediates in the Guanine Nucleotide Exchange Reaction of Rab8 Protein Catalyzed by Guanine Nucleotide Exchange Factors Rabin8 and GRAB. J.Biol.Chem., 288, 2013
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4LHV
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![BU of 4lhv by Molmil](/molmil-images/mine/4lhv) | Crystal structure of Rab8 in its inactive GDP-bound form | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ras-related protein Rab-8A | Authors: | Guo, Z, Hou, X.M, Goody, R.S, Itzen, A. | Deposit date: | 2013-07-01 | Release date: | 2013-10-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Intermediates in the Guanine Nucleotide Exchange Reaction of Rab8 Protein Catalyzed by Guanine Nucleotide Exchange Factors Rabin8 and GRAB. J.Biol.Chem., 288, 2013
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4LHZ
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![BU of 4lhz by Molmil](/molmil-images/mine/4lhz) | Crystal structure of GTP-bound Rab8:Rabin8 | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, Rab-3A-interacting protein, Ras-related protein Rab-8A | Authors: | Guo, Z, Hou, X.M, Goody, R.S, Itzen, A. | Deposit date: | 2013-07-01 | Release date: | 2013-10-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Intermediates in the Guanine Nucleotide Exchange Reaction of Rab8 Protein Catalyzed by Guanine Nucleotide Exchange Factors Rabin8 and GRAB. J.Biol.Chem., 288, 2013
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4LHY
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![BU of 4lhy by Molmil](/molmil-images/mine/4lhy) | Crystal structure of GDP-bound Rab8:Rabin8 | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Rab-3A-interacting protein, Ras-related protein Rab-8A, ... | Authors: | Guo, Z, Hou, X.M, Goody, R.S, Itzen, A. | Deposit date: | 2013-07-01 | Release date: | 2013-10-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Intermediates in the Guanine Nucleotide Exchange Reaction of Rab8 Protein Catalyzed by Guanine Nucleotide Exchange Factors Rabin8 and GRAB. J.Biol.Chem., 288, 2013
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6TPE
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![BU of 6tpe by Molmil](/molmil-images/mine/6tpe) | Fragment-based discovery of pyrazolopyridones as JAK1 inhibitors with excellent subtype selectivity | Descriptor: | 2-[4-(3-methyl-6-oxidanylidene-1,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]ethanenitrile, Tyrosine-protein kinase JAK1 | Authors: | Hansen, B.B, Jepsen, T.H, Larsen, M, Sindet, R, Vifian, T, Burhardt, M.N, Larsen, J, Seitzberg, J.G, Carnerup, M.A, Jerre, A, Molck, C, Rai, S, Nasipireddy, V.R, Jestel, A, Lammens, A, Ritzen, A. | Deposit date: | 2019-12-13 | Release date: | 2020-06-10 | Last modified: | 2020-07-22 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | Fragment-Based Discovery of Pyrazolopyridones as JAK1 Inhibitors with Excellent Subtype Selectivity. J.Med.Chem., 63, 2020
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6TPF
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![BU of 6tpf by Molmil](/molmil-images/mine/6tpf) | Fragment-based discovery of pyrazolopyridones as JAK1 inhibitors with excellent subtype selectivity | Descriptor: | (1~{S})-2,2-bis(fluoranyl)-~{N}-[4-(3-methyl-6-oxidanylidene-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]cyclopropane-1-carboxamide, Tyrosine-protein kinase JAK1 | Authors: | Hansen, B.B, Jepsen, T.H, Larsen, M, Sindet, R, Vifian, T, Burhardt, M.N, Larsen, J, Seitzberg, J.G, Carnerup, M.A, Jerre, A, Molck, C, Rai, S, Nasipireddy, V.R, Griessner, A, Ritzen, A. | Deposit date: | 2019-12-13 | Release date: | 2020-06-10 | Last modified: | 2020-07-22 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Fragment-Based Discovery of Pyrazolopyridones as JAK1 Inhibitors with Excellent Subtype Selectivity. J.Med.Chem., 63, 2020
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6TPD
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![BU of 6tpd by Molmil](/molmil-images/mine/6tpd) | Fragment-based discovery of pyrazolopyridones as JAK1 inhibitors with excellent subtype selectivity | Descriptor: | 3-methyl-4-phenyl-2,7-dihydropyrazolo[3,4-b]pyridin-6-one, Tyrosine-protein kinase JAK2 | Authors: | Hansen, B.B, Jepsen, T.J, Larsen, M, Sindet, R, Vifian, T, Burhardt, M.N, Larsen, J, Seitzberg, J.G, Carnerup, M.A, Jerre, A, Moelck, C, Rai, S, Nasipireddy, V.R, Ritzen, A. | Deposit date: | 2019-12-13 | Release date: | 2020-06-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Fragment-Based Discovery of Pyrazolopyridones as JAK1 Inhibitors with Excellent Subtype Selectivity. J.Med.Chem., 63, 2020
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2Y0J
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![BU of 2y0j by Molmil](/molmil-images/mine/2y0j) | Triazoloquinazolines as a novel class of phosphodiesterase 10A (PDE10A) inhibitors, part 2, Lead-optimisation. | Descriptor: | 5-(1H-BENZIMIDAZOL-2-YLMETHYLSULFANYL)-2-METHYL-[1,2,4]TRIAZOLO[1,5-C]QUINAZOLINE, CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, ... | Authors: | Kehler, J, Ritzen, A, Langgard, M, Petersen, S.L, Christoffersen, C.T, Nielsen, J, Kilburn, J.P. | Deposit date: | 2010-12-03 | Release date: | 2011-06-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Triazoloquinazolines as a Novel Class of Phosphodiesterase 10A (Pde10A) Inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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3SK1
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![BU of 3sk1 by Molmil](/molmil-images/mine/3sk1) | |
3SK2
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![BU of 3sk2 by Molmil](/molmil-images/mine/3sk2) | |
5SZH
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![BU of 5szh by Molmil](/molmil-images/mine/5szh) | Structure of human Rab1b in complex with the bMERB domain of Mical-cL | Descriptor: | MAGNESIUM ION, MICAL C-terminal-like protein, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Rai, A, Oprisko, A, Campos, J, Fu, Y, Friese, T, Goody, R.S, Mueller, M.P, Gazdag, E.M. | Deposit date: | 2016-08-14 | Release date: | 2016-08-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | bMERB domains are bivalent Rab8 family effectors evolved by gene duplication. Elife, 5, 2016
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7QPM
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![BU of 7qpm by Molmil](/molmil-images/mine/7qpm) | Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate | Descriptor: | 5,7-dimethyl-2-[(1-methyl-4-phenyl-imidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine, MAGNESIUM ION, ZINC ION, ... | Authors: | Leonard, P.M, Langgard, M. | Deposit date: | 2022-01-05 | Release date: | 2023-04-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate To Be Published
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7QPF
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![BU of 7qpf by Molmil](/molmil-images/mine/7qpf) | Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate | Descriptor: | 2-(1~{H}-benzimidazol-2-ylsulfanylmethyl)-3-bromanyl-5,7-dimethyl-imidazo[1,2-a]pyrimidine, MAGNESIUM ION, ZINC ION, ... | Authors: | Leonard, P.M, Langgard, M. | Deposit date: | 2022-01-04 | Release date: | 2023-04-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of Lu AF11167, a Phosphodiesterase 10A inhibitor clinical candidate To Be Published
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