3TGL
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![BU of 3tgl by Molmil](/molmil-images/mine/3tgl) | STRUCTURE AND MOLECULAR MODEL REFINEMENT OF RHIZOMUCOR MIEHEI TRIACYLGLYCERIDE LIPASE: A CASE STUDY OF THE USE OF SIMULATED ANNEALING IN PARTIAL MODEL REFINEMENT | Descriptor: | TRIACYL-GLYCEROL ACYLHYDROLASE | Authors: | Brady, L, Brzozowski, A.M, Derewenda, Z.S, Dodson, E.J, Dodson, G.G, Tolley, S.P, Turkenburg, J.P, Christiansen, L, Huge-Jensen, B, Norskov, L, Thim, L. | Deposit date: | 1991-07-29 | Release date: | 1993-07-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | STRUCTURE AND MOLECULAR-MODEL REFINEMENT OF RHIZOMUCOR-MIEHEI TRIACYLGLYCERIDE LIPASE - A CASE-STUDY OF THE USE OF SIMULATED ANNEALING IN PARTIAL MODEL REFINEMENT. Acta Crystallogr.,Sect.B, 48, 1992
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5TGL
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![BU of 5tgl by Molmil](/molmil-images/mine/5tgl) | A MODEL FOR INTERFACIAL ACTIVATION IN LIPASES FROM THE STRUCTURE OF A FUNGAL LIPASE-INHIBITOR COMPLEX | Descriptor: | LIPASE, N-HEXYLPHOSPHONATE ETHYL ESTER | Authors: | Brzozowski, A.M, Derewenda, U, Derewenda, Z.S, Dodson, G.G, Lawson, D, Turkenburg, J.P, Bjorkling, F, Huge-Jensen, B, Patkar, S.R, Thim, L. | Deposit date: | 1991-10-30 | Release date: | 1994-01-31 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A model for interfacial activation in lipases from the structure of a fungal lipase-inhibitor complex. Nature, 351, 1991
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4O5R
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![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
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7D94
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![BU of 7d94 by Molmil](/molmil-images/mine/7d94) | Crystal Structure of the Na+,K+-ATPase in the E2P state with bound one Mg2+ and one Rb+ in the presence of bufalin | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 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, Ogawa, H, Motoyama, K, Vilsen, B, Toyoshima, C. | Deposit date: | 2020-10-12 | Release date: | 2021-01-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Binding of cardiotonic steroids to Na + ,K + -ATPase in the E2P state. Proc.Natl.Acad.Sci.USA, 118, 2021
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7DDF
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![BU of 7ddf by Molmil](/molmil-images/mine/7ddf) | Crystal structures of Na+,K+-ATPase in complex with beryllium fluoride | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ogawa, H, Cornelius, F, Kanai, R, Motoyama, K, Vilsen, B, Toyoshima, C. | Deposit date: | 2020-10-29 | Release date: | 2021-01-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (4.62 Å) | Cite: | Binding of cardiotonic steroids to Na + ,K + -ATPase in the E2P state. Proc.Natl.Acad.Sci.USA, 118, 2021
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7DDK
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![BU of 7ddk by Molmil](/molmil-images/mine/7ddk) | Crystal structures of Na+,K+-ATPase in complex with rostafuroxin | Descriptor: | (3S,5R,8R,9S,10S,13S,14S,17S)-17-(furan-3-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,14,17-triol, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ogawa, H, Cornelius, F, Kanai, R, Motoyama, K, Vilsen, B, Toyoshima, C. | Deposit date: | 2020-10-29 | Release date: | 2021-01-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Binding of cardiotonic steroids to Na + ,K + -ATPase in the E2P state. Proc.Natl.Acad.Sci.USA, 118, 2021
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7D91
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![BU of 7d91 by Molmil](/molmil-images/mine/7d91) | Crystal Structure of the Na+,K+-ATPase in the E2P state with bound Mg2+ (P4(3)2(1)2 symmetry) | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 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, Ogawa, H, Motoyama, K, Vilsen, B, Toyoshima, C. | Deposit date: | 2020-10-12 | Release date: | 2021-01-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Binding of cardiotonic steroids to Na + ,K + -ATPase in the E2P state. Proc.Natl.Acad.Sci.USA, 118, 2021
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7DDH
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![BU of 7ddh by Molmil](/molmil-images/mine/7ddh) | Crystal structures of Na+,K+-ATPase in complex with digoxin | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ogawa, H, Cornelius, F, Kanai, R, Motoyama, K, Vilsen, B, Toyoshima, C. | Deposit date: | 2020-10-29 | Release date: | 2021-01-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.46 Å) | Cite: | Binding of cardiotonic steroids to Na + ,K + -ATPase in the E2P state. Proc.Natl.Acad.Sci.USA, 118, 2021
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7DDL
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![BU of 7ddl by Molmil](/molmil-images/mine/7ddl) | Crystal structures of Na+,K+-ATPase in complex with bufalin | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ogawa, H, Cornelius, F, Kanai, R, Motoyama, K, Vilsen, B, Toyoshima, C. | Deposit date: | 2020-10-29 | Release date: | 2021-01-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Binding of cardiotonic steroids to Na + ,K + -ATPase in the E2P state. Proc.Natl.Acad.Sci.USA, 118, 2021
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7D92
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![BU of 7d92 by Molmil](/molmil-images/mine/7d92) | Crystal Structure of the Na+,K+-ATPase in the E2P state with bound Mg2+ and anthroylouabain (P4(3)2(1)2 symmetry) | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 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, Ogawa, H, Motoyama, K, Vilsen, B, Toyoshima, C. | Deposit date: | 2020-10-12 | Release date: | 2021-01-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.9 Å) | Cite: | Binding of cardiotonic steroids to Na + ,K + -ATPase in the E2P state. Proc.Natl.Acad.Sci.USA, 118, 2021
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7D93
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![BU of 7d93 by Molmil](/molmil-images/mine/7d93) | Crystal Structure of the Na+,K+-ATPase in the E2P state with bound Mg2+ and anthroylouabain (P2(1)2(1)2(1) symmetry) | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 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, Ogawa, H, Motoyama, K, Vilsen, B, Toyoshima, C. | Deposit date: | 2020-10-12 | Release date: | 2021-01-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.65 Å) | Cite: | Binding of cardiotonic steroids to Na + ,K + -ATPase in the E2P state. Proc.Natl.Acad.Sci.USA, 118, 2021
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7DDI
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![BU of 7ddi by Molmil](/molmil-images/mine/7ddi) | Crystal structures of Na+,K+-ATPase in complex with digitoxin | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ogawa, H, Cornelius, F, Kanai, R, Motoyama, K, Vilsen, B, Toyoshima, C. | Deposit date: | 2020-10-29 | Release date: | 2021-01-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.72 Å) | Cite: | Binding of cardiotonic steroids to Na + ,K + -ATPase in the E2P state. Proc.Natl.Acad.Sci.USA, 118, 2021
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7RST
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![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
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7WYY
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![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
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7WYU
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![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
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7WYX
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![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
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7WYW
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![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
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7WYV
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![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
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7WYZ
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![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
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7WZ0
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![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
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4O2C
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![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
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4C4G
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![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
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4C4E
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![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
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4C4I
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![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
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1ZFU
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![BU of 1zfu by Molmil](/molmil-images/mine/1zfu) | Plectasin:A peptide antibiotic with therapeutic potential from a saprophytic fungus | Descriptor: | Plectasin | Authors: | Mygind, P.H, Fischer, R.L, Schnorr, K, Hansen, M.T, Sonksen, C.P, Ludvigsen, S, Raventos, D, Buskov, S, Christensen, B, De Maria, L, Taboureau, O, Yaver, D, Elvig-Jorgensen, S.G, Sorensen, M.V, Christensen, B.E, Kjaerulf, S, Frimodt-Moller, N, Lehrer, R.I, Zasloff, M, Kristensen, H.H. | Deposit date: | 2005-04-20 | Release date: | 2005-10-18 | Last modified: | 2021-10-27 | Method: | SOLUTION NMR | Cite: | Plectasin is a peptide antibiotic with therapeutic potential from a saprophytic fungus. Nature, 437, 2005
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