8JFZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8jfz by Molmil](/molmil-images/mine/8jfz) | Cryo-EM structure of Na+,K+-ATPase in the E1.Mg2+ state. | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kanai, R, Vilsen, B, Cornelius, F, Toyoshima, C. | Deposit date: | 2023-05-19 | Release date: | 2023-08-09 | Last modified: | 2023-08-16 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Crystal structures of Na + ,K + -ATPase reveal the mechanism that converts the K + -bound form to Na + -bound form and opens and closes the cytoplasmic gate. Febs Lett., 597, 2023
|
|
8JBM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8jbm by Molmil](/molmil-images/mine/8jbm) | Crystal structure of Na+,K+-ATPase in the E1.Mn2+ state | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kanai, R, Vilsen, B, Cornelius, F, Toyoshima, C. | Deposit date: | 2023-05-09 | Release date: | 2023-08-09 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structures of Na + ,K + -ATPase reveal the mechanism that converts the K + -bound form to Na + -bound form and opens and closes the cytoplasmic gate. Febs Lett., 597, 2023
|
|
8JBL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8jbl by Molmil](/molmil-images/mine/8jbl) | Crystal structure of Na+,K+-ATPase in the E1.Mg2+ state | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kanai, R, Vilsen, B, Cornelius, F, Toyoshima, C. | Deposit date: | 2023-05-09 | Release date: | 2023-08-09 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structures of Na + ,K + -ATPase reveal the mechanism that converts the K + -bound form to Na + -bound form and opens and closes the cytoplasmic gate. Febs Lett., 597, 2023
|
|
8JBK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8jbk by Molmil](/molmil-images/mine/8jbk) | Crystal structure of Na+,K+-ATPase in the E1.3Na+ state | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kanai, R, Vilsen, B, Cornelius, F, Toyoshima, C. | Deposit date: | 2023-05-09 | Release date: | 2023-08-09 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structures of Na + ,K + -ATPase reveal the mechanism that converts the K + -bound form to Na + -bound form and opens and closes the cytoplasmic gate. Febs Lett., 597, 2023
|
|
3RPS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3rps by Molmil](/molmil-images/mine/3rps) | Structure of human CK2alpha in complex with the ATP-competitive inhibitor 3-(4,5,6,7-tetrabromo-1H-benzotriazol-1-yl)propan-1-ol | Descriptor: | 3-(4,5,6,7-tetrabromo-1H-benzotriazol-1-yl)propan-1-ol, CHLORIDE ION, Casein kinase II subunit alpha, ... | Authors: | Bischoff, N, Raaf, J, Olsen, B, Bretner, M, Issinger, O.-G, Niefind, K. | Deposit date: | 2011-04-27 | Release date: | 2011-06-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Enzymatic activity with an incomplete catalytic spine - insights from a comparative structural analysis of human CK2alpha and its paralogous isoform CK2alpha' Mol.Cell.Biochem., 356, 2011
|
|
4O5R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4o5r by Molmil](/molmil-images/mine/4o5r) | Crystal structure of Alkylhydroperoxide Reductase subunit C from E. coli | Descriptor: | AhpC component, subunit of alkylhydroperoxide reductase | Authors: | Dip, P.V, Kamariah, N, Manimekalai, M.S.S, Gruber, G, Eisenhaber, F, Eisenhaber, B. | Deposit date: | 2013-12-20 | Release date: | 2014-11-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.33 Å) | Cite: | Structure, mechanism and ensemble formation of the alkylhydroperoxide reductase subunits AhpC and AhpF from Escherichia coli Acta Crystallogr.,Sect.D, 70, 2014
|
|
7RST
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rst by Molmil](/molmil-images/mine/7rst) | The Crystal Structure of Recombinant Chloroperoxidase Expressed in Aspergillus niger | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chloroperoxidase, ... | Authors: | Tang, X, Venkadesh, S, Zhou, J, Rosen, B, Wang, X. | Deposit date: | 2021-08-11 | Release date: | 2022-08-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | The Crystal Structure of Recombinant Chloroperoxidase Expressed in Aspergillus niger To Be Published
|
|
7WYU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wyu by Molmil](/molmil-images/mine/7wyu) | Cryo-EM structure of Na+,K+-ATPase in the E2P state formed by ATP | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kanai, R, Cornelius, F, Vilsen, B, Toyoshima, C. | Deposit date: | 2022-02-16 | Release date: | 2022-04-27 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Cryoelectron microscopy of Na + ,K + -ATPase in the two E2P states with and without cardiotonic steroids. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7WYX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wyx by Molmil](/molmil-images/mine/7wyx) | Cryo-EM structure of Na+,K+-ATPase in the E2P state formed by ATP with istaroxime | Descriptor: | (3E,5S,8R,9S,10R,13S,14S)-3-(2-azanylethoxyimino)-10,13-dimethyl-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-6,17-dione, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kanai, R, Cornelius, F, Vilsen, B, Toyoshima, C. | Deposit date: | 2022-02-16 | Release date: | 2022-04-27 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Cryoelectron microscopy of Na + ,K + -ATPase in the two E2P states with and without cardiotonic steroids. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7WYY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wyy by Molmil](/molmil-images/mine/7wyy) | Cryo-EM structure of Na+,K+-ATPase in the E2P state formed by inorganic phosphate with istaroxime | Descriptor: | (3E,5S,8R,9S,10R,13S,14S)-3-(2-azanylethoxyimino)-10,13-dimethyl-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-6,17-dione, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kanai, R, Cornelius, F, Vilsen, B, Toyoshima, C. | Deposit date: | 2022-02-16 | Release date: | 2022-04-27 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Cryoelectron microscopy of Na + ,K + -ATPase in the two E2P states with and without cardiotonic steroids. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7WYW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wyw by Molmil](/molmil-images/mine/7wyw) | Cryo-EM structure of Na+,K+-ATPase in the E2P state formed by inorganic phosphate | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kanai, R, Cornelius, F, Vilsen, B, Toyoshima, C. | Deposit date: | 2022-02-16 | Release date: | 2022-04-27 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Cryoelectron microscopy of Na + ,K + -ATPase in the two E2P states with and without cardiotonic steroids. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7WYV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wyv by Molmil](/molmil-images/mine/7wyv) | Cryo-EM structure of Na+,K+-ATPase in the E2P state formed by ATP in the presence of 40 mM Mg2+ | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kanai, R, Cornelius, F, Vilsen, B, Toyoshima, C. | Deposit date: | 2022-02-16 | Release date: | 2022-04-27 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Cryoelectron microscopy of Na + ,K + -ATPase in the two E2P states with and without cardiotonic steroids. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7WYZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wyz by Molmil](/molmil-images/mine/7wyz) | Cryo-EM structure of Na+,K+-ATPase in the E2P state formed by ATP with ouabain | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kanai, R, Cornelius, F, Vilsen, B, Toyoshima, C. | Deposit date: | 2022-02-16 | Release date: | 2022-04-27 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Cryoelectron microscopy of Na + ,K + -ATPase in the two E2P states with and without cardiotonic steroids. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7WZ0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wz0 by Molmil](/molmil-images/mine/7wz0) | Cryo-EM structure of Na+,K+-ATPase in the E2P state formed by inorganic phosphate with ouabain | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kanai, R, Cornelius, F, Vilsen, B, Toyoshima, C. | Deposit date: | 2022-02-16 | Release date: | 2022-04-27 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Cryoelectron microscopy of Na + ,K + -ATPase in the two E2P states with and without cardiotonic steroids. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7Y45
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7y45 by Molmil](/molmil-images/mine/7y45) | Cryo-EM structure of the Na+,K+-ATPase in the E2.2K+ state | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kanai, R, Cornelius, F, Vilsen, B, Toyoshima, C. | Deposit date: | 2022-06-14 | Release date: | 2022-07-13 | Last modified: | 2022-10-19 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-electron microscopy of Na + ,K + -ATPase reveals how the extracellular gate locks in the E2·2K + state. Febs Lett., 596, 2022
|
|
7Y46
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7y46 by Molmil](/molmil-images/mine/7y46) | Cryo-EM structure of the Na+,K+-ATPase in the E2.2K+ state after addition of ATP | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kanai, R, Cornelius, F, Vilsen, B, Toyoshima, C. | Deposit date: | 2022-06-14 | Release date: | 2022-07-13 | Last modified: | 2022-10-19 | Method: | ELECTRON MICROSCOPY (7.2 Å) | Cite: | Cryo-electron microscopy of Na + ,K + -ATPase reveals how the extracellular gate locks in the E2·2K + state. Febs Lett., 596, 2022
|
|
4C4G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4c4g by Molmil](/molmil-images/mine/4c4g) | Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic kinase MPS1 | Descriptor: | 1,2-ETHANEDIOL, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, DUAL SPECIFICITY PROTEIN KINASE TTK, ... | Authors: | Naud, S, Westwood, I.M, Faisal, A, Sheldrake, P, Bavetsias, V, Atrash, B, Liu, M, Hayes, A, Schmitt, J, Wood, A, Choi, V, Boxall, K, Mak, G, Gurden, M, Valenti, M, de Haven Brandon, A, Henley, A, Baker, R, McAndrew, C, Matijssen, B, Burke, R, Eccles, S.A, Raynaud, F.I, Linardopoulos, S, van Montfort, R, Blagg, J. | Deposit date: | 2013-09-05 | Release date: | 2013-12-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structure-Based Design of Orally Bioavailable 1H-Pyrrolo[3, 2-C]Pyridine Inhibitors of the Mitotic Kinase Monopolar Spindle 1 (Mps1). J.Med.Chem., 56, 2013
|
|
4O2E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4o2e by Molmil](/molmil-images/mine/4o2e) | A peptide complexed with HLA-B*3901 | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-39 alpha chain, ... | Authors: | Sun, M, Liu, J, Qi, J, Tefsen, B, Shi, Y, Yan, J, Gao, G.F. | Deposit date: | 2013-12-17 | Release date: | 2014-07-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.981 Å) | Cite: | N alpha-terminal acetylation for T cell recognition: molecular basis of MHC class I-restricted n alpha-acetylpeptide presentation J.Immunol., 192, 2014
|
|
4O2F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4o2f by Molmil](/molmil-images/mine/4o2f) | A peptide complexed with HLA-B*3901 | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-39 alpha chain, ... | Authors: | Sun, M, Liu, J, Qi, J, Tefsen, B, Shi, Y, Yan, J, Gao, G.F. | Deposit date: | 2013-12-17 | Release date: | 2014-07-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | N alpha-terminal acetylation for T cell recognition: molecular basis of MHC class I-restricted n alpha-acetylpeptide presentation J.Immunol., 192, 2014
|
|
4O2C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4o2c by Molmil](/molmil-images/mine/4o2c) | An Nt-acetylated peptide complexed with HLA-B*3901 | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-39 alpha chain, ... | Authors: | Sun, M, Liu, J, Qi, J, Tefsen, B, Shi, Y, Yan, J, Gao, G.F. | Deposit date: | 2013-12-17 | Release date: | 2014-07-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.802 Å) | Cite: | N alpha-terminal acetylation for T cell recognition: molecular basis of MHC class I-restricted n alpha-acetylpeptide presentation J.Immunol., 192, 2014
|
|
4C4E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4c4e by Molmil](/molmil-images/mine/4c4e) | Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic kinase MPS1 | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, DUAL SPECIFICITY PROTEIN KINASE TTK, N-(3,4-dimethoxyphenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine, ... | Authors: | Naud, S, Westwood, I.M, Faisal, A, Sheldrake, P, Bavetsias, V, Atrash, B, Liu, M, Hayes, A, Schmitt, J, Wood, A, Choi, V, Boxall, K, Mak, G, Gurden, M, Valenti, M, de Haven Brandon, A, Henley, A, Baker, R, McAndrew, C, Matijssen, B, Burke, R, Eccles, S.A, Raynaud, F.I, Linardopoulos, S, van Montfort, R, Blagg, J. | Deposit date: | 2013-09-05 | Release date: | 2013-12-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-Based Design of Orally Bioavailable 1H-Pyrrolo[3, 2-C]Pyridine Inhibitors of the Mitotic Kinase Monopolar Spindle 1 (Mps1). J.Med.Chem., 56, 2013
|
|
4C4F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4c4f by Molmil](/molmil-images/mine/4c4f) | Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic kinase MPS1 | Descriptor: | 1,2-ETHANEDIOL, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, DUAL SPECIFICITY PROTEIN KINASE TTK, ... | Authors: | Naud, S, Westwood, I.M, Faisal, A, Sheldrake, P, Bavetsias, V, Atrash, B, Liu, M, Hayes, A, Schmitt, J, Wood, A, Choi, V, Boxall, K, Mak, G, Gurden, M, Valenti, M, de Haven Brandon, A, Henley, A, Baker, R, McAndrew, C, Matijssen, B, Burke, R, Eccles, S.A, Raynaud, F.I, Linardopoulos, S, van Montfort, R, Blagg, J. | Deposit date: | 2013-09-05 | Release date: | 2013-12-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Structure-Based Design of Orally Bioavailable 1H-Pyrrolo[3, 2-C]Pyridine Inhibitors of the Mitotic Kinase Monopolar Spindle 1 (Mps1). J.Med.Chem., 56, 2013
|
|
4C4H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4c4h by Molmil](/molmil-images/mine/4c4h) | Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic kinase MPS1 | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, DUAL SPECIFICITY PROTEIN KINASE TTK, tert-butyl 6-((2-chloro-4-(dimethylcarbamoyl)phenyl)amino)-2-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate | Authors: | Naud, S, Westwood, I.M, Faisal, A, Sheldrake, P, Bavetsias, V, Atrash, B, Liu, M, Hayes, A, Schmitt, J, Wood, A, Choi, V, Boxall, K, Mak, G, Gurden, M, Valenti, M, de Haven Brandon, A, Henley, A, Baker, R, McAndrew, C, Matijssen, B, Burke, R, Eccles, S.A, Raynaud, F.I, Linardopoulos, S, van Montfort, R, Blagg, J. | Deposit date: | 2013-09-05 | Release date: | 2013-12-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-Based Design of Orally Bioavailable 1H-Pyrrolo[3, 2-C]Pyridine Inhibitors of the Mitotic Kinase Monopolar Spindle 1 (Mps1). J.Med.Chem., 56, 2013
|
|
4C4I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4c4i by Molmil](/molmil-images/mine/4c4i) | Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic kinase MPS1 | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, DUAL SPECIFICITY PROTEIN KINASE TTK, tert-butyl 6-{[2-chloro-4-(dimethylcarbamoyl)phenyl]amino}-2-(1,3-oxazol-5-yl)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate | Authors: | Naud, S, Westwood, I.M, Faisal, A, Sheldrake, P, Bavetsias, V, Atrash, B, Liu, M, Hayes, A, Schmitt, J, Wood, A, Choi, V, Boxall, K, Mak, G, Gurden, M, Valenti, M, de Haven Brandon, A, Henley, A, Baker, R, McAndrew, C, Matijssen, B, Burke, R, Eccles, S.A, Raynaud, F.I, Linardopoulos, S, van Montfort, R, Blagg, J. | Deposit date: | 2013-09-05 | Release date: | 2013-12-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structure-Based Design of Orally Bioavailable 1H-Pyrrolo[3, 2-C]Pyridine Inhibitors of the Mitotic Kinase Monopolar Spindle 1 (Mps1). J.Med.Chem., 56, 2013
|
|
4C4J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4c4j by Molmil](/molmil-images/mine/4c4j) | Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic kinase MPS1 | Descriptor: | DUAL SPECIFICITY PROTEIN KINASE TTK, tert-butyl 6-{[2-chloro-4-(1-methyl-1H-imidazol-5-yl)phenyl]amino}-2-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate | Authors: | Naud, S, Westwood, I.M, Faisal, A, Sheldrake, P, Bavetsias, V, Atrash, B, Liu, M, Hayes, A, Schmitt, J, Wood, A, Choi, V, Boxall, K, Mak, G, Gurden, M, Valenti, M, de Haven Brandon, A, Henley, A, Baker, R, McAndrew, C, Matijssen, B, Burke, R, Eccles, S.A, Raynaud, F.I, Linardopoulos, S, van Montfort, R, Blagg, J. | Deposit date: | 2013-09-05 | Release date: | 2013-12-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-Based Design of Orally Bioavailable 1H-Pyrrolo[3, 2-C]Pyridine Inhibitors of the Mitotic Kinase Monopolar Spindle 1 (Mps1). J.Med.Chem., 56, 2013
|
|