6EPP
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![BU of 6epp by Molmil](/molmil-images/mine/6epp) | RAS GUANINE EXCHANGE FACTOR SOS1 (REM-CDC25) IN COMPLEX WITH KRAS(G12C) AND FRAGMENT SCREENING HIT F4 | Descriptor: | GLYCEROL, GTPase KRas, Son of sevenless homolog 1, ... | Authors: | Hillig, R.C, Moosmayer, D, Hilpmann, A, Bader, B, Schroeder, J, Wortmann, L, Sautier, B, Kahmann, J, Wegener, D, Briem, H, Petersen, K, Badock, V. | Deposit date: | 2017-10-12 | Release date: | 2019-02-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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2CA6
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![BU of 2ca6 by Molmil](/molmil-images/mine/2ca6) | |
7NTR
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![BU of 7ntr by Molmil](/molmil-images/mine/7ntr) | |
7NWE
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![BU of 7nwe by Molmil](/molmil-images/mine/7nwe) | |
7NY9
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![BU of 7ny9 by Molmil](/molmil-images/mine/7ny9) | |
7NXO
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![BU of 7nxo by Molmil](/molmil-images/mine/7nxo) | |
7NWB
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![BU of 7nwb by Molmil](/molmil-images/mine/7nwb) | |
7NWA
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![BU of 7nwa by Molmil](/molmil-images/mine/7nwa) | |
7NYA
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![BU of 7nya by Molmil](/molmil-images/mine/7nya) | |
7NWM
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![BU of 7nwm by Molmil](/molmil-images/mine/7nwm) | |
7NWC
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![BU of 7nwc by Molmil](/molmil-images/mine/7nwc) | |
7NXN
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![BU of 7nxn by Molmil](/molmil-images/mine/7nxn) | |
7NY2
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![BU of 7ny2 by Molmil](/molmil-images/mine/7ny2) | |
7PPH
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![BU of 7pph by Molmil](/molmil-images/mine/7pph) | CRYSTAL STRUCTURE OF NAMPT IN COMPLEX WITH Compound 10 | Descriptor: | GLYCEROL, N-[4-[(5R)-6-oxidanylidene-5-quinolin-5-yl-5-(trifluoromethyl)-1,4-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ... | Authors: | Hillig, R.C. | Deposit date: | 2021-09-13 | Release date: | 2022-06-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | A Novel NAMPT Inhibitor-Based Antibody-Drug Conjugate Payload Class for Cancer Therapy. Bioconjug.Chem., 33, 2022
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7PPI
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![BU of 7ppi by Molmil](/molmil-images/mine/7ppi) | Crystal STRUCTURE OF NAMPT IN COMPLEX WITH Compound 11 | Descriptor: | CHLORIDE ION, GLYCEROL, N-[4-[(5R)-1-(4-azanylbutyl)-6-oxidanylidene-5-quinolin-5-yl-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide, ... | Authors: | Hillig, R.C. | Deposit date: | 2021-09-13 | Release date: | 2022-06-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | A Novel NAMPT Inhibitor-Based Antibody-Drug Conjugate Payload Class for Cancer Therapy. Bioconjug.Chem., 33, 2022
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7PPE
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![BU of 7ppe by Molmil](/molmil-images/mine/7ppe) | CRYSTAL STRUCTURE OF NAMPT IN COMPLEX WITH COMPOUND 1 | Descriptor: | GLYCEROL, N-[4-[(4R)-4-methyl-1-(oxan-4-yl)-6-oxidanylidene-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ... | Authors: | Hillig, R.C. | Deposit date: | 2021-09-13 | Release date: | 2022-06-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | A Novel NAMPT Inhibitor-Based Antibody-Drug Conjugate Payload Class for Cancer Therapy. Bioconjug.Chem., 33, 2022
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7PPF
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![BU of 7ppf by Molmil](/molmil-images/mine/7ppf) | CRYSTAL STRUCTURE OF NAMPT IN COMPLEX WITH COMPOUND 8 | Descriptor: | 1,2-ETHANEDIOL, N-[4-[(4R)-1,4-dimethyl-6-oxidanylidene-4,5-dihydropyridazin-3-yl]phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide, Nicotinamide phosphoribosyltransferase, ... | Authors: | Hillig, R.C. | Deposit date: | 2021-09-13 | Release date: | 2022-06-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | A Novel NAMPT Inhibitor-Based Antibody-Drug Conjugate Payload Class for Cancer Therapy. Bioconjug.Chem., 33, 2022
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7PPG
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![BU of 7ppg by Molmil](/molmil-images/mine/7ppg) | CRYSTAL STRUCTURE OF NAMPT IN COMPLEX WITH COMPOUND 9 | Descriptor: | 1,2-ETHANEDIOL, N-[4-[(4R)-1-cyclopentyl-4-methyl-6-oxidanylidene-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ... | Authors: | Hillig, R.C. | Deposit date: | 2021-09-13 | Release date: | 2022-06-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | A Novel NAMPT Inhibitor-Based Antibody-Drug Conjugate Payload Class for Cancer Therapy. Bioconjug.Chem., 33, 2022
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1YRG
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![BU of 1yrg by Molmil](/molmil-images/mine/1yrg) | THE CRYSTAL STRUCTURE OF RNA1P: A NEW FOLD FOR A GTPASE-ACTIVATING PROTEIN | Descriptor: | GTPASE-ACTIVATING PROTEIN RNA1_SCHPO | Authors: | Hillig, R.C, Renault, L, Vetter, I.R, Drell, T, Wittinghofer, A, Becker, J. | Deposit date: | 1999-03-29 | Release date: | 2000-03-29 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | The crystal structure of rna1p: a new fold for a GTPase-activating protein. Mol.Cell, 3, 1999
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1I4F
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![BU of 1i4f by Molmil](/molmil-images/mine/1i4f) | CRYSTAL STRUCTURE OF HLA-A*0201/MAGE-A4-PEPTIDE COMPLEX | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, BETA-2-MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ... | Authors: | Hillig, R.C, Coulie, P.G, Stroobant, V, Saenger, W, Ziegler, A, Huelsmeyer, M. | Deposit date: | 2001-02-21 | Release date: | 2001-07-25 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | High-resolution structure of HLA-A*0201 in complex with a tumour-specific antigenic peptide encoded by the MAGE-A4 gene. J.Mol.Biol., 310, 2001
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1FZQ
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![BU of 1fzq by Molmil](/molmil-images/mine/1fzq) | CRYSTAL STRUCTURE OF MURINE ARL3-GDP | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADP-RIBOSYLATION FACTOR-LIKE PROTEIN 3, AMMONIUM ION, ... | Authors: | Hillig, R.C, Hanzal-Bayer, M, Linari, M, Becker, J, Wittinghofer, A, Renault, L. | Deposit date: | 2000-10-04 | Release date: | 2000-12-06 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and biochemical properties show ARL3-GDP as a distinct GTP binding protein. Structure Fold.Des., 8, 2000
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4ARK
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![BU of 4ark by Molmil](/molmil-images/mine/4ark) | CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN MAP KINASE KINASE 1 (MEK1) IN COMPLEX WITH A SMALL MOLECULE INHIBITOR AND ADP | Descriptor: | 2-([3R-3,4-dihydroxybutyl]oxy)-4-fluoro-6-[(2-fluoro-4-iodophenyl)amino]benzamide, ADENOSINE-5'-DIPHOSPHATE, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, ... | Authors: | Hartung, I.V, Hitchcock, M, Puehler, F, Neuhaus, R, Scholz, A, Hammer, S, Petersen, K, Siemeister, G, Brittain, D, Hillig, R.C. | Deposit date: | 2012-04-24 | Release date: | 2013-03-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Optimization of Allosteric Mek Inhibitors - Part 1: Venturing Into Unexplored Sar Territories Bioorg.Med.Chem.Lett., 23, 2013
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6RSU
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![BU of 6rsu by Molmil](/molmil-images/mine/6rsu) | TBK1 in complex with Inhibitor compound 35 | Descriptor: | 3,3,3-tris(fluoranyl)-1-[4-[(1~{R})-1-[2-[[(2~{S})-5-(5-propan-2-yloxypyrimidin-4-yl)-2,3-dihydro-1~{H}-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]propan-1-one, Serine/threonine-protein kinase TBK1 | Authors: | Panne, D, Hillig, R.C, Rengachari, S. | Deposit date: | 2019-05-22 | Release date: | 2020-04-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Discovery of BAY-985, a Highly Selective TBK1/IKK epsilon Inhibitor. J.Med.Chem., 63, 2020
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6RSR
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![BU of 6rsr by Molmil](/molmil-images/mine/6rsr) | TBK1 in complex with compound 2 | Descriptor: | Serine/threonine-protein kinase TBK1, ~{N}-(cyclopropen-1-ylmethyl)-2-[[4-[[4-[3,3,3-tris(fluoranyl)propanoyl]piperazin-1-yl]methyl]pyridin-2-yl]amino]-1~{H}-benzimidazole-5-carboxamide | Authors: | Panne, D, Hillig, R.C, Rengachari, S. | Deposit date: | 2019-05-22 | Release date: | 2020-01-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Discovery of BAY-985, a Highly Selective TBK1/IKK epsilon Inhibitor. J.Med.Chem., 63, 2020
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6RST
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![BU of 6rst by Molmil](/molmil-images/mine/6rst) | TBK1 in complex with inhibitor compound 24 | Descriptor: | 1-[4-[(1~{R})-1-[2-[[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1~{H}-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]-3,3,3-tris(fluoranyl)propan-1-one, Serine/threonine-protein kinase TBK1 | Authors: | Panne, D, Hillig, R.C, Rengachari, S. | Deposit date: | 2019-05-22 | Release date: | 2020-01-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (3.29 Å) | Cite: | Discovery of BAY-985, a Highly Selective TBK1/IKK epsilon Inhibitor. J.Med.Chem., 63, 2020
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