8GDJ
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![BU of 8gdj by Molmil](/molmil-images/mine/8gdj) | |
2FZF
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![BU of 2fzf by Molmil](/molmil-images/mine/2fzf) | Hypothetical Protein Pfu-1136390-001 From Pyrococcus furiosus | Descriptor: | hypothetical protein | Authors: | Fu, Z.-Q, Liu, Z.-J, Lee, D, Kelley, L, Chen, L, Tempel, W, Shah, N, Horanyi, P, Lee, H.S, Habel, J, Dillard, B.D, Nguyen, D, Chang, S.-H, Zhang, H, Chang, J, Sugar, F.J, Poole, F.L, Jenney Jr, F.E, Adams, M.W.W, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2006-02-09 | Release date: | 2006-02-21 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Hypothetical Protein Pfu-1136390-001 From Pyrococcus furiosus To be published
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5JLW
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![BU of 5jlw by Molmil](/molmil-images/mine/5jlw) | AntpHD with 15bp DNA duplex R-monothioated at Cytidine-8 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*AP*GP*AP*AP*AP*GP*CP*(C7R)P*AP*TP*TP*AP*GP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*CP*TP*AP*AP*TP*GP*GP*CP*TP*TP*TP*C)-3'), ... | Authors: | White, M.A, Zandarashvili, L, Iwahara, J, Nguyen, D. | Deposit date: | 2016-04-27 | Release date: | 2016-06-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.088 Å) | Cite: | Stereospecific Effects of Oxygen-to-Sulfur Substitution in DNA Phosphate on Ion Pair Dynamics and Protein-DNA Affinity. Chembiochem, 17, 2016
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5JFC
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![BU of 5jfc by Molmil](/molmil-images/mine/5jfc) | NADH-dependent Ferredoxin:NADP Oxidoreductase (NfnI) from Pyrococcus furiosus | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, IRON/SULFUR CLUSTER, ... | Authors: | Zadvornyy, O.A, Schut, G.J, Nguyen, D.M, Artz, J.H, Tokmina-Lukaszewska, M, Lipscomb, G, King, P.W, Adams, M.W, Peters, J.W. | Deposit date: | 2016-04-19 | Release date: | 2017-04-12 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.598 Å) | Cite: | Mechanistic insights into energy conservation by flavin-based electron bifurcation. Nat. Chem. Biol., 13, 2017
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5JCA
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![BU of 5jca by Molmil](/molmil-images/mine/5jca) | NADP(H) bound NADH-dependent Ferredoxin:NADP Oxidoreductase (NfnI) from Pyrococcus furiosus | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Zadvornyy, O.A, Schut, G.J, Nguyen, D.M, Artz, J.H, Tokmina-Lukaszewska, M, Lipscomb, G, Adams, M.W, Peters, J.W. | Deposit date: | 2016-04-14 | Release date: | 2017-04-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Mechanistic insights into energy conservation by flavin-based electron bifurcation. Nat. Chem. Biol., 13, 2017
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1HA9
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![BU of 1ha9 by Molmil](/molmil-images/mine/1ha9) | SOLUTION STRUCTURE OF THE SQUASH TRYPSIN INHIBITOR MCoTI-II, NMR, 30 STRUCTURES. | Descriptor: | TRYPSIN INHIBITOR II | Authors: | Heitz, A, Hernandez, J.-F, Gagnon, J, Hong, T.T, Pham, T.T.C, Nguyen, T.M, Le-Nguyen, D, Chiche, L. | Deposit date: | 2001-04-02 | Release date: | 2001-04-12 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Solution Structure of the Squash Trypsin Inhibitor Mcoti-II. A New Family for Cyclic Knottins Biochemistry, 40, 2001
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5JGM
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![BU of 5jgm by Molmil](/molmil-images/mine/5jgm) | tRNA guanine Transglycosylase (TGT) in co-crystallized complex with ethyl (2-(methylamino)-8-oxo-7,8-dihydro-1H-imidazo[4,5-g]quinazolin-6-yl)carbamate | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | Authors: | Ehrmann, F.R, Nguyen, D, Heine, A, Klebe, G. | Deposit date: | 2016-04-20 | Release date: | 2017-05-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Carbamate-protected lin-Benzoguanines as promising candidates for improving solubility and membrane permeability To be Published
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6ECF
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![BU of 6ecf by Molmil](/molmil-images/mine/6ecf) | Vlm2 thioesterase domain with genetically encoded 2,3-diaminopropionic acid bound with a dodecadepsipeptide, space group P1 | Descriptor: | Vlm2, dodecadepsipeptide | Authors: | Alonzo, D.A, Huguenin-Dezot, N, Heberlig, G.W, Mahesh, M, Nguyen, D.P, Dornan, M.H, Boddy, C.N, Chin, J.W, Schmeing, T.M. | Deposit date: | 2018-08-07 | Release date: | 2018-12-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Trapping biosynthetic acyl-enzyme intermediates with encoded 2,3-diaminopropionic acid. Nature, 565, 2019
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6ECE
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![BU of 6ece by Molmil](/molmil-images/mine/6ece) | Vlm2 thioesterase domain with genetically encoded 2,3-diaminopropionic acid bound with a dodecadepsipeptide, space group H3 | Descriptor: | Vlm2, dodecadepsipeptide | Authors: | Alonzo, D.A, Huguenin-Dezot, N, Heberlig, G.W, Mahesh, M, Nguyen, D.P, Dornan, M.H, Boddy, C.N, Chin, J.W, Schmeing, T.M. | Deposit date: | 2018-08-07 | Release date: | 2018-12-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Trapping biosynthetic acyl-enzyme intermediates with encoded 2,3-diaminopropionic acid. Nature, 565, 2019
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6ECD
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![BU of 6ecd by Molmil](/molmil-images/mine/6ecd) | Vlm2 thioesterase domain with genetically encoded 2,3-diaminopropionic acid bound with a tetradepsipeptide | Descriptor: | Vlm2, tetradepsipeptide | Authors: | Alonzo, D.A, Huguenin-Dezot, N, Heberlig, G.W, Mahesh, M, Nguyen, D.P, Dornan, M.H, Boddy, C.N, Chin, J.W, Schmeing, T.M. | Deposit date: | 2018-08-07 | Release date: | 2018-12-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Trapping biosynthetic acyl-enzyme intermediates with encoded 2,3-diaminopropionic acid. Nature, 565, 2019
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5JLX
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![BU of 5jlx by Molmil](/molmil-images/mine/5jlx) | AntpHD with 15bp DNA duplex S-monothioated at Cytidine-8 | Descriptor: | DNA (5'-D(*AP*GP*AP*AP*AP*GP*CP*(C7S)P*AP*TP*TP*AP*GP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*CP*TP*AP*AP*TP*GP*GP*CP*TP*TP*TP*C)-3'), Homeotic protein antennapedia, ... | Authors: | White, M.A, Zandarashvili, L, Iwahara, J, Nguyen, D. | Deposit date: | 2016-04-27 | Release date: | 2016-06-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.748 Å) | Cite: | Stereospecific Effects of Oxygen-to-Sulfur Substitution in DNA Phosphate on Ion Pair Dynamics and Protein-DNA Affinity. Chembiochem, 17, 2016
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6ILB
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![BU of 6ilb by Molmil](/molmil-images/mine/6ilb) | Native crystal structure of fructuronate-tagaturonate epimerase UxaE from Cohnella laeviribosi | Descriptor: | 1,2-ETHANEDIOL, Fructuronate-tagaturonate epimerase UxaE, MANGANESE (II) ION | Authors: | Choi, M.Y, Kang, L.W, Ho, T.H, Nguyen, D.Q, Lee, I.H, Lee, J.H, Park, Y.S, Park, H.J. | Deposit date: | 2018-10-17 | Release date: | 2019-10-23 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Crystal structure of fructuronate-tagaturonate epimerase UxaE from Cohnella laeviribosi To be published
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6ILA
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![BU of 6ila by Molmil](/molmil-images/mine/6ila) | Two Glycerol complexed Crystal structure of fructuronate-tagaturonate epimerase UxaE from Cohnella laeviribosi | Descriptor: | Fructuronate-tagaturonate epimerase UxaE, GLYCEROL, PHOSPHATE ION, ... | Authors: | Choi, M.Y, Kang, L.W, Ho, T.H, Nguyen, D.Q, Lee, I.H, Lee, J.H, Park, Y.S, Park, H.J. | Deposit date: | 2018-10-17 | Release date: | 2019-10-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Crystal structure of fructuronate-tagaturonate epimerase UxaE from Cohnella laeviribosi To be published
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6IL9
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![BU of 6il9 by Molmil](/molmil-images/mine/6il9) | One Glycerol complexed Crystal structure of fructuronate-tagaturonate epimerase UxaE from Cohnella laeviribosi | Descriptor: | Fructuronate-tagaturonate epimerase UxaE from Cohnella laeviribosi in complex with 1 glycerol, GLYCEROL, ZINC ION | Authors: | Choi, M.Y, Kang, L.W, Ho, T.H, Nguyen, D.Q, Lee, I.H, Lee, J.H, Park, Y.S, Park, H.J. | Deposit date: | 2018-10-17 | Release date: | 2019-10-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.72005355 Å) | Cite: | Crystal structure of fructuronate-tagaturonate epimerase UxaE from Cohnella laeviribosi To Be Published
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6TNC
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![BU of 6tnc by Molmil](/molmil-images/mine/6tnc) | X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 46 | Descriptor: | CHLORIDE ION, Dual specificity protein kinase TTK, N-cyclopropyl-4-{8-[(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyrazin-3-yl}benzamide | Authors: | Marquardt, T, Holton, S.J, Schulze, V.K, Klar, U, Kosemund, D, Siemeister, G, Bader, B, Prechtl, S, Briem, H, Schirok, H, Bohlmann, R, Nguyen, D, Fernandez-Montalvan, A, Boemer, U, Eberspaecher, U, Brands, M, Nussbaum, F, Koppitz, M. | Deposit date: | 2019-12-06 | Release date: | 2020-05-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, BAY 1161909 and BAY 1217389, Targeting MPS1 Kinase. J.Med.Chem., 63, 2020
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6TNB
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![BU of 6tnb by Molmil](/molmil-images/mine/6tnb) | X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 41 | Descriptor: | (2~{R})-2-(4-fluorophenyl)-~{N}-[4-[2-[(2-methoxy-4-methylsulfonyl-phenyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide, CHLORIDE ION, Dual specificity protein kinase TTK | Authors: | Holton, S.J, Schulze, V.K, Klar, U, Kosemund, D, Siemeister, G, Bader, B, Prechtl, S, Briem, H, Marquardt, T, Schirok, H, Bohlmann, R, Nguyen, D, Fernandez-Montalvan, A, Boemer, U, Eberspaecher, U, Brands, M, Nussbaum, F, Koppitz, M. | Deposit date: | 2019-12-06 | Release date: | 2020-05-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, BAY 1161909 and BAY 1217389, Targeting MPS1 Kinase. J.Med.Chem., 63, 2020
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8U7Z
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![BU of 8u7z by Molmil](/molmil-images/mine/8u7z) | KCTD5/Cullin3/Gbeta1gamma2 Complex: Local Refinment of KCTD5(CTD)/Gbeta1gamma2 | Descriptor: | BTB/POZ domain-containing protein KCTD5, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1 | Authors: | Kuntz, D.A, Nguyen, D.M, Narayanan, N, Prive, G.G. | Deposit date: | 2023-09-15 | Release date: | 2023-10-11 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.97 Å) | Cite: | Structure and dynamics of a pentameric KCTD5/CUL3/G beta gamma E3 ubiquitin ligase complex. Proc.Natl.Acad.Sci.USA, 121, 2024
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8U83
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![BU of 8u83 by Molmil](/molmil-images/mine/8u83) | KCTD5/Cullin3/Gbeta1gamma2 Complex: State C From Composite RELION Multi-body Refinement Map | Descriptor: | BTB/POZ domain-containing protein KCTD5, Cullin-3, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Kuntz, D.A, Nguyen, D.M, Narayanan, N, Prive, G.G. | Deposit date: | 2023-09-15 | Release date: | 2023-10-11 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.975 Å) | Cite: | Structure and dynamics of a pentameric KCTD5/CUL3/G beta gamma E3 ubiquitin ligase complex. Proc.Natl.Acad.Sci.USA, 121, 2024
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8U80
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![BU of 8u80 by Molmil](/molmil-images/mine/8u80) | KCTD5/Cullin3/Gbeta1gamma2 Complex: Local Refinment of KCTD5(BTB)/Cullin3(NTD) | Descriptor: | BTB/POZ domain-containing protein KCTD5, Cullin-3 | Authors: | Kuntz, D.A, Nguyen, D.M, Narayanan, N, Prive, G.G. | Deposit date: | 2023-09-15 | Release date: | 2023-10-11 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structure and dynamics of a pentameric KCTD5/CUL3/G beta gamma E3 ubiquitin ligase complex. Proc.Natl.Acad.Sci.USA, 121, 2024
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8U81
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![BU of 8u81 by Molmil](/molmil-images/mine/8u81) | KCTD5/Cullin3/Gbeta1gamma2 Complex: State A From Composite RELION Multi-body Refinement Map | Descriptor: | BTB/POZ domain-containing protein KCTD5, Cullin-3, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Kuntz, D.A, Nguyen, D.M, Narayanan, N, Prive, G.G. | Deposit date: | 2023-09-15 | Release date: | 2023-10-11 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.82 Å) | Cite: | Structure and dynamics of a pentameric KCTD5/CUL3/G beta gamma E3 ubiquitin ligase complex. Proc.Natl.Acad.Sci.USA, 121, 2024
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8U82
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![BU of 8u82 by Molmil](/molmil-images/mine/8u82) | KCTD5/Cullin3/Gbeta1gamma2 Complex: State B From Composite RELION Multi-body Refinement Map | Descriptor: | BTB/POZ domain-containing protein KCTD5, Cullin-3, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Kuntz, D.A, Nguyen, D.M, Narayanan, N, Prive, G.G. | Deposit date: | 2023-09-15 | Release date: | 2023-10-11 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.84 Å) | Cite: | Structure and dynamics of a pentameric KCTD5/CUL3/G beta gamma E3 ubiquitin ligase complex. Proc.Natl.Acad.Sci.USA, 121, 2024
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8U84
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![BU of 8u84 by Molmil](/molmil-images/mine/8u84) | KCTD5/Cullin3/Gbeta1gamma2 Complex: State D From Composite RELION Multi-body Refinement Map | Descriptor: | BTB/POZ domain-containing protein KCTD5, Cullin-3, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Kuntz, D.A, Nguyen, D.M, Narayanan, N, Prive, G.G. | Deposit date: | 2023-09-15 | Release date: | 2023-10-11 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.88 Å) | Cite: | Structure and dynamics of a pentameric KCTD5/CUL3/G beta gamma E3 ubiquitin ligase complex. Proc.Natl.Acad.Sci.USA, 121, 2024
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6TN9
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![BU of 6tn9 by Molmil](/molmil-images/mine/6tn9) | X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 16 | Descriptor: | Dual specificity protein kinase TTK, [4-[[6-(3,5-dimethyl-4-oxidanyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-morpholin-4-yl-methanone | Authors: | Marquardt, T, Holton, S.J, Schulze, V.K, Klar, U, Kosemund, D, Siemeister, G, Bader, B, Prechtl, S, Briem, H, Schirok, H, Bohlmann, R, Nguyen, D, Fernandez-Montalvan, A, Boemer, U, Eberspaecher, U, Brands, M, Nussbaum, F, Koppitz, M. | Deposit date: | 2019-12-06 | Release date: | 2020-05-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, BAY 1161909 and BAY 1217389, Targeting MPS1 Kinase. J.Med.Chem., 63, 2020
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6TND
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![BU of 6tnd by Molmil](/molmil-images/mine/6tnd) | X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 79 | Descriptor: | BAY 1217389, Dual specificity protein kinase TTK | Authors: | Holton, S.J, Schulze, V.K, Klar, U, Kosemund, D, Siemeister, G, Bader, B, Prechtl, S, Briem, H, Marquardt, T, Schirok, H, Bohlmann, R, Nguyen, D, Fernandez-Montalvan, A, Boemer, U, Eberspaecher, U, Brands, M, Nussbaum, F, Koppitz, M. | Deposit date: | 2019-12-06 | Release date: | 2020-05-13 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, BAY 1161909 and BAY 1217389, Targeting MPS1 Kinase. J.Med.Chem., 63, 2020
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6TAM
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![BU of 6tam by Molmil](/molmil-images/mine/6tam) | |