3KTA
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4ZCH
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![BU of 4zch by Molmil](/molmil-images/mine/4zch) | Single-chain human APRIL-BAFF-BAFF Heterotrimer | Descriptor: | TRIS-HYDROXYMETHYL-METHYL-AMMONIUM, Tumor necrosis factor ligand superfamily member 13,Tumor necrosis factor ligand superfamily member 13B,Tumor necrosis factor ligand superfamily member 13B | Authors: | Lammens, A, Jiang, X, Maskos, K, Schneider, P. | Deposit date: | 2015-04-16 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Stoichiometry of Heteromeric BAFF and APRIL Cytokines Dictates Their Receptor Binding and Signaling Properties. J.Biol.Chem., 290, 2015
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4HT1
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![BU of 4ht1 by Molmil](/molmil-images/mine/4ht1) | Human TWEAK in complex with the Fab fragment of a neutralizing antibody | Descriptor: | Tumor necrosis factor ligand superfamily member 12, chimeric antibody Fab | Authors: | Lammens, A. | Deposit date: | 2012-10-31 | Release date: | 2013-06-12 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.498 Å) | Cite: | Crystal Structure of Human TWEAK in Complex with the Fab Fragment of a Neutralizing Antibody Reveals Insights into Receptor Binding. Plos One, 8, 2013
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7SVN
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![BU of 7svn by Molmil](/molmil-images/mine/7svn) | DPP9 IN COMPLEX WITH LIGAND ICeD-1 | Descriptor: | (2S,4S)-1-[(2S)-2-amino-2-cyclohexylacetyl]-4-fluoropyrrolidine-2-carbonitrile, Dipeptidyl peptidase 9 | Authors: | Lammens, A, Hollenstein, K, Klein, D.J. | Deposit date: | 2021-11-19 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells. Acs Chem.Biol., 17, 2022
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7SVM
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![BU of 7svm by Molmil](/molmil-images/mine/7svm) | DPP8 IN COMPLEX WITH LIGAND ICeD-2 | Descriptor: | (2S)-2-amino-1-(1,3-dihydro-2H-isoindol-2-yl)-2-[(1r,4S)-4-(pyrrolidin-1-yl)cyclohexyl]ethan-1-one, Dipeptidyl peptidase 8, trimethylamine oxide | Authors: | Lammens, A, Hollenstein, K, Klein, D.J. | Deposit date: | 2021-11-19 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells. Acs Chem.Biol., 17, 2022
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7SVO
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![BU of 7svo by Molmil](/molmil-images/mine/7svo) | DPP8 IN COMPLEX WITH LIGAND ICeD-1 | Descriptor: | (2S,4S)-1-[(2S)-2-amino-2-cyclohexylacetyl]-4-fluoropyrrolidine-2-carbonitrile, Dipeptidyl peptidase 8, trimethylamine oxide | Authors: | Lammens, A, Hollenstein, K, Klein, D.J. | Deposit date: | 2021-11-19 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells. Acs Chem.Biol., 17, 2022
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7SVL
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![BU of 7svl by Molmil](/molmil-images/mine/7svl) | DPP9 IN COMPLEX WITH LIGAND ICeD-2 | Descriptor: | (2S)-2-amino-1-(1,3-dihydro-2H-isoindol-2-yl)-2-[(1r,4S)-4-(pyrrolidin-1-yl)cyclohexyl]ethan-1-one, Dipeptidyl peptidase 9 | Authors: | Lammens, A, Hollenstein, K, Klein, D.J. | Deposit date: | 2021-11-19 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells. Acs Chem.Biol., 17, 2022
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7B1O
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![BU of 7b1o by Molmil](/molmil-images/mine/7b1o) | Crystal structure of the indoleamine 2,3-dioxygenase 1 (IDO1) in complex with compound 22 | Descriptor: | 4-chloranyl-N-[(1R)-1-[(1S,5R)-3-quinolin-4-yloxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide, Indoleamine 2,3-dioxygenase 1 | Authors: | Lammens, A, Krapp, S, Lewis, R.T, Hamilton, M.M. | Deposit date: | 2020-11-25 | Release date: | 2021-09-29 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Discovery of IACS-9779 and IACS-70465 as Potent Inhibitors Targeting Indoleamine 2,3-Dioxygenase 1 (IDO1) Apoenzyme. J.Med.Chem., 64, 2021
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6W3K
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![BU of 6w3k by Molmil](/molmil-images/mine/6w3k) | Structure of unphosphorylated human IRE1 bound to G-9807 | Descriptor: | 4-[5-[2,6-bis(fluoranyl)phenyl]-2~{H}-pyrazolo[3,4-b]pyridin-3-yl]-2-(4-oxidanylpiperidin-1-yl)-1~{H}-pyrimidin-6-one, Serine/threonine-protein kinase/endoribonuclease IRE1 | Authors: | Lammens, A, Wang, W, Ferri, E, Rudolph, J. | Deposit date: | 2020-03-09 | Release date: | 2020-12-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Activation of the IRE1 RNase through remodeling of the kinase front pocket by ATP-competitive ligands. Nat Commun, 11, 2020
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6FXN
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![BU of 6fxn by Molmil](/molmil-images/mine/6fxn) | Crystal structure of human BAFF in complex with Fab fragment of anti-BAFF antibody belimumab | Descriptor: | Tumor necrosis factor ligand superfamily member 13B, belimumab heavy chain, belimumab light chain | Authors: | Lammens, A, Maskos, K, Willen, L, Jiang, X, Schneider, P. | Deposit date: | 2018-03-09 | Release date: | 2018-04-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A loop region of BAFF controls B cell survival and regulates recognition by different inhibitors. Nat Commun, 9, 2018
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6GL3
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![BU of 6gl3 by Molmil](/molmil-images/mine/6gl3) | Crystal structure of human Phosphatidylinositol 4-kinase III beta (PI4KIIIbeta) in complex with ligand 44 | Descriptor: | (3~{S})-4-(6-azanyl-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl)-~{N}-(4-methoxy-2-methyl-phenyl)-3-methyl-piperazine-1-carboxamide, Phosphatidylinositol 4-kinase beta,Phosphatidylinositol 4-kinase beta | Authors: | Lammens, A, Augustin, M, Steinbacher, S, Reuberson, J. | Deposit date: | 2018-05-22 | Release date: | 2018-08-15 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Discovery of a Potent, Orally Bioavailable PI4KIII beta Inhibitor (UCB9608) Able To Significantly Prolong Allogeneic Organ Engraftment in Vivo. J. Med. Chem., 61, 2018
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1XEX
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1XEW
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6TCU
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![BU of 6tcu by Molmil](/molmil-images/mine/6tcu) | Glycogen synthase kinase-3 beta (GSK3b) in complex with ligand 1 | Descriptor: | 5-[2,3-bis(fluoranyl)phenyl]-~{N}-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1~{H}-indazole-3-carboxamide, ACETATE ION, Glycogen synthase kinase-3 beta | Authors: | Lammens, A, Krapp, S, Buonfiglio, R, Ombrato, R. | Deposit date: | 2019-11-06 | Release date: | 2020-09-16 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Optimization of Indazole-Based GSK-3 Inhibitors with Mitigated hERG Issue andIn VivoActivity in a Mood Disorder Model. Acs Med.Chem.Lett., 11, 2020
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6WPE
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![BU of 6wpe by Molmil](/molmil-images/mine/6wpe) | HUMAN IDO1 IN COMPLEX WITH COMPOUND 4 | Descriptor: | 4-chloro-N-{[1-(3-chlorobenzene-1-carbonyl)-1,2,3,4-tetrahydroquinolin-6-yl]methyl}benzamide, Indoleamine 2,3-dioxygenase 1 | Authors: | Lesburg, C.A, Lammens, A. | Deposit date: | 2020-04-27 | Release date: | 2021-03-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Carbamate and N -Pyrimidine Mitigate Amide Hydrolysis: Structure-Based Drug Design of Tetrahydroquinoline IDO1 Inhibitors. Acs Med.Chem.Lett., 12, 2021
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2QFD
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![BU of 2qfd by Molmil](/molmil-images/mine/2qfd) | Crystal structure of the regulatory domain of human RIG-I with bound Hg | Descriptor: | MERCURY (II) ION, Probable ATP-dependent RNA helicase DDX58 | Authors: | Cui, S, Lammens, A, Lammens, K, Hopfner, K.P. | Deposit date: | 2007-06-27 | Release date: | 2008-02-12 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The C-Terminal Regulatory Domain Is the RNA 5'-Triphosphate Sensor of RIG-I. Mol.Cell, 29, 2008
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2W4R
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![BU of 2w4r by Molmil](/molmil-images/mine/2w4r) | Crystal structure of the regulatory domain of human LGP2 | Descriptor: | MERCURY (II) ION, PROBABLE ATP-DEPENDENT RNA HELICASE DHX58, SULFATE ION | Authors: | Pippig, D.A, Hellmuth, J.C, Cui, S, Kirchhofer, A, Lammens, K, Lammens, A, Schmidt, A, Rothenfusser, S, Hopfner, K.P. | Deposit date: | 2008-12-01 | Release date: | 2009-02-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The Regulatory Domain of the Rig-I Family ATPase Lgp2 Senses Double-Stranded RNA. Nucleic Acids Res., 37, 2009
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2QFB
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![BU of 2qfb by Molmil](/molmil-images/mine/2qfb) | Crystal structure of the regulatory domain of human RIG-I with bound Zn | Descriptor: | Probable ATP-dependent RNA helicase DDX58, ZINC ION | Authors: | Cui, S, Lammens, A, Lammens, K, Hopfner, K.P. | Deposit date: | 2007-06-27 | Release date: | 2008-02-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The C-Terminal Regulatory Domain Is the RNA 5'-Triphosphate Sensor of RIG-I. Mol.Cell, 29, 2008
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4TYG
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![BU of 4tyg by Molmil](/molmil-images/mine/4tyg) | Structural analysis of the human Fibroblast Growth Factor Receptor 4 Kinase | Descriptor: | ACETATE ION, Fibroblast growth factor receptor 4 | Authors: | Lesca, E, Lammens, A, Huber, R, Augustin, M. | Deposit date: | 2014-07-08 | Release date: | 2014-09-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural analysis of the human fibroblast growth factor receptor 4 kinase. J.Mol.Biol., 426, 2014
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4TYI
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![BU of 4tyi by Molmil](/molmil-images/mine/4tyi) | Structural analysis of the human Fibroblast Growth Factor Receptor 4 | Descriptor: | 4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one, Fibroblast growth factor receptor 4 | Authors: | Lesca, E, Lammens, A, Huber, R, Augustin, M. | Deposit date: | 2014-07-08 | Release date: | 2014-09-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structural analysis of the human fibroblast growth factor receptor 4 kinase. J.Mol.Biol., 426, 2014
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6X5Y
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![BU of 6x5y by Molmil](/molmil-images/mine/6x5y) | IDO1 in complex with compound 4 | Descriptor: | 4-fluoro-N-{1-[5-(2-methylpyrimidin-4-yl)-5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl]cyclopropyl}benzamide, Indoleamine 2,3-dioxygenase 1 | Authors: | Lesburg, C.A, Lammens, A. | Deposit date: | 2020-05-27 | Release date: | 2021-06-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Utilization of MetID and Structural Data to Guide Placement of Spiro and Fused Cyclopropyl Groups for the Synthesis of Low Dose IDO1 Inhibitors To Be Published
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2B2N
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![BU of 2b2n by Molmil](/molmil-images/mine/2b2n) | Structure of transcription-repair coupling factor | Descriptor: | O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL, SODIUM ION, SULFATE ION, ... | Authors: | Assenmacher, N, Wenig, K, Lammens, A, Hopfner, K.-P. | Deposit date: | 2005-09-19 | Release date: | 2006-01-24 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Basis for Transcription-coupled Repair: the N Terminus of Mfd Resembles UvrB with Degenerate ATPase Motifs J.Mol.Biol., 355, 2006
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4TYE
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![BU of 4tye by Molmil](/molmil-images/mine/4tye) | Structural analysis of the human Fibroblast Growth Factor Receptor 4 Kinase | Descriptor: | Fibroblast growth factor receptor 4, PHOSPHATE ION | Authors: | Lesca, E, Lammens, A, Huber, R, Augustin, M. | Deposit date: | 2014-07-08 | Release date: | 2014-09-24 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural analysis of the human fibroblast growth factor receptor 4 kinase. J.Mol.Biol., 426, 2014
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4TYJ
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![BU of 4tyj by Molmil](/molmil-images/mine/4tyj) | Structural analysis of the human Fibroblast Growth Factor Receptor 4 Kinase | Descriptor: | 1,2-ETHANEDIOL, 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, Fibroblast growth factor receptor 4, ... | Authors: | Lesca, E, Lammens, A, Huber, R, Augustin, M. | Deposit date: | 2014-07-08 | Release date: | 2014-09-24 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural analysis of the human fibroblast growth factor receptor 4 kinase. J.Mol.Biol., 426, 2014
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6WJY
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![BU of 6wjy by Molmil](/molmil-images/mine/6wjy) | HUMAN IDO1 IN COMPLEX WITH COMPOUND 4-A | Descriptor: | 3-chloro-N-(3-{(2S)-1-[(4-fluorophenyl)amino]-1-oxopropan-2-yl}bicyclo[1.1.1]pentan-1-yl)benzamide, Indoleamine 2,3-dioxygenase 1 | Authors: | Lesburg, C.A, Lammens, A, Neumann, L. | Deposit date: | 2020-04-14 | Release date: | 2020-08-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Discovery of Potent and Orally Available Bicyclo[1.1.1]pentane-Derived Indoleamine-2,3-dioxygenase 1 (IDO1) Inhibitors. Acs Med.Chem.Lett., 11, 2020
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