7AYS
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7DH9
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![BU of 7dh9 by Molmil](/molmil-images/mine/7dh9) | The co-crystal structure of DYRK2 with a small molecule inhibitor 7 | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 2, [2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridin-4-yl]methanol | Authors: | Wei, T, Xiao, J. | Deposit date: | 2020-11-13 | Release date: | 2021-11-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.194 Å) | Cite: | Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry. Elife, 11, 2022
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7DHC
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![BU of 7dhc by Molmil](/molmil-images/mine/7dhc) | The co-crystal structure of DYRK2 with a small molecule inhibitor 10 | Descriptor: | 4-[bis(fluoranyl)methyl]-2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine, Dual specificity tyrosine-phosphorylation-regulated kinase 2 | Authors: | Wei, T, Xiao, J. | Deposit date: | 2020-11-13 | Release date: | 2021-11-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.592 Å) | Cite: | Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry. Elife, 11, 2022
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7AYX
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7AYI
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![BU of 7ayi by Molmil](/molmil-images/mine/7ayi) | Crystal structure of Aurora A in complex with 7-(2-Anilinopyrimidin-4-yl)-1-benzazepin-2-one derivative (compound 2a) | Descriptor: | 7-(2-phenylazanylpyrimidin-4-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one, Aurora kinase A | Authors: | Chaikuad, A, Karatas, M, Kunick, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-11-12 | Release date: | 2021-01-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | 7-(2-Anilinopyrimidin-4-yl)-1-benzazepin-2-ones Designed by a "Cut and Glue" Strategy Are Dual Aurora A/VEGF-R Kinase Inhibitors. Molecules, 26, 2021
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7AYH
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![BU of 7ayh by Molmil](/molmil-images/mine/7ayh) | Crystal structure of Aurora A in complex with 7-(2-Anilinopyrimidin-4-yl)-1-benzazepin-2-one derivative (compound 2c) | Descriptor: | 7-[2-[(4-methoxyphenyl)amino]pyrimidin-4-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one, Aurora kinase A | Authors: | Chaikuad, A, Karatas, M, Kunick, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-11-12 | Release date: | 2021-01-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | 7-(2-Anilinopyrimidin-4-yl)-1-benzazepin-2-ones Designed by a "Cut and Glue" Strategy Are Dual Aurora A/VEGF-R Kinase Inhibitors. Molecules, 26, 2021
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7DH3
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7DGN
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![BU of 7dgn by Molmil](/molmil-images/mine/7dgn) | The Co-bound dimeric structure of K79H/G80A/H81A myoglobin | Descriptor: | COBALT (II) ION, Myoglobin, OXYGEN ATOM, ... | Authors: | Nagao, S, Idomoto, A, Shibata, N, Higuchi, Y, Hirota, S. | Deposit date: | 2020-11-12 | Release date: | 2021-02-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Rational design of metal-binding sites in domain-swapped myoglobin dimers. J.Inorg.Biochem., 217, 2021
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7DGJ
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![BU of 7dgj by Molmil](/molmil-images/mine/7dgj) | The dimeric structure of K78H/G80A/H82A myoglobin | Descriptor: | Myoglobin, OXYGEN ATOM, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Nagao, S, Idomoto, A, Shibata, N, Higuchi, Y, Hirota, S. | Deposit date: | 2020-11-12 | Release date: | 2021-02-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Rational design of metal-binding sites in domain-swapped myoglobin dimers. J.Inorg.Biochem., 217, 2021
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7DGM
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![BU of 7dgm by Molmil](/molmil-images/mine/7dgm) | The dimeric structure of K79H/G80A/H81A myoglobin | Descriptor: | Myoglobin, OXYGEN ATOM, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Nagao, S, Idomoto, A, Shibata, N, Higuchi, Y, Hirota, S. | Deposit date: | 2020-11-12 | Release date: | 2021-02-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Rational design of metal-binding sites in domain-swapped myoglobin dimers. J.Inorg.Biochem., 217, 2021
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7DGL
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![BU of 7dgl by Molmil](/molmil-images/mine/7dgl) | The Ni-bound dimeric structure of K78H/G80A/H82A myoglobin | Descriptor: | Myoglobin, NICKEL (II) ION, OXYGEN ATOM, ... | Authors: | Nagao, S, Idomoto, A, Shibata, N, Higuchi, Y, Hirota, S. | Deposit date: | 2020-11-12 | Release date: | 2021-02-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Rational design of metal-binding sites in domain-swapped myoglobin dimers. J.Inorg.Biochem., 217, 2021
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7DGO
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![BU of 7dgo by Molmil](/molmil-images/mine/7dgo) | The Zn-bound dimeric structure of K79H/G80A/H81A myoglobin | Descriptor: | Myoglobin, OXYGEN ATOM, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Nagao, S, Idomoto, A, Shibata, N, Higuchi, Y, Hirota, S. | Deposit date: | 2020-11-12 | Release date: | 2021-02-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Rational design of metal-binding sites in domain-swapped myoglobin dimers. J.Inorg.Biochem., 217, 2021
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7DGK
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![BU of 7dgk by Molmil](/molmil-images/mine/7dgk) | The Co-bound dimeric structure of K78H/G80A/H82A myoglobin | Descriptor: | COBALT (II) ION, Myoglobin, OXYGEN ATOM, ... | Authors: | Nagao, S, Idomoto, A, Shibata, N, Higuchi, Y, Hirota, S. | Deposit date: | 2020-11-12 | Release date: | 2021-02-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Rational design of metal-binding sites in domain-swapped myoglobin dimers. J.Inorg.Biochem., 217, 2021
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7KPX
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![BU of 7kpx by Molmil](/molmil-images/mine/7kpx) | Structure of the yeast CKM | Descriptor: | Mediator of RNA polymerase II transcription subunit 12, Mediator of RNA polymerase II transcription subunit 13, Meiotic mRNA stability protein kinase SSN3, ... | Authors: | Li, Y.C, Chao, T.C, Kim, H.J, Cholko, T, Chen, S.F, Nakanishi, K, Chang, C.E, Murakami, K, Garcia, B.A, Boyer, T.G, Tsai, K.L. | Deposit date: | 2020-11-12 | Release date: | 2021-01-27 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Structure and noncanonical Cdk8 activation mechanism within an Argonaute-containing Mediator kinase module. Sci Adv, 7, 2021
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7DH5
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![BU of 7dh5 by Molmil](/molmil-images/mine/7dh5) | Dog beta3 adrenergic receptor bound to mirabegron in complex with a miniGs heterotrimer | Descriptor: | 2-(2-azanyl-1,3-thiazol-4-yl)-N-[4-[2-[[(2R)-2-oxidanyl-2-phenyl-ethyl]amino]ethyl]phenyl]ethanamide, Beta-3 adrenergic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Shihoya, W, Yamashita, K, Nureki, O. | Deposit date: | 2020-11-12 | Release date: | 2021-08-04 | Last modified: | 2021-08-18 | Method: | ELECTRON MICROSCOPY (3.16 Å) | Cite: | Cryo-EM structure of the beta 3-adrenergic receptor reveals the molecular basis of subtype selectivity. Mol.Cell, 81, 2021
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7KPV
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![BU of 7kpv by Molmil](/molmil-images/mine/7kpv) | Structure of kinase and Central lobes of yeast CKM | Descriptor: | Mediator of RNA polymerase II transcription subunit 12, Mediator of RNA polymerase II transcription subunit 13, Meiotic mRNA stability protein kinase SSN3, ... | Authors: | Li, Y.C, Chao, T.C, Kim, H.J, Cholko, T, Chen, S.F, Nakanishi, K, Chang, C.E, Murakami, K, Garcia, B.A, Boyer, T.G, Tsai, K.L. | Deposit date: | 2020-11-12 | Release date: | 2021-01-27 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structure and noncanonical Cdk8 activation mechanism within an Argonaute-containing Mediator kinase module. Sci Adv, 7, 2021
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7DGQ
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![BU of 7dgq by Molmil](/molmil-images/mine/7dgq) | Activity optimized supercomplex state1 | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ... | Authors: | Jeon, T.J, Lee, S.G, Yoo, S.H, Ryu, J.H, Kim, D.S, Hyun, J.K, Kim, H.M, Ryu, S.E. | Deposit date: | 2020-11-12 | Release date: | 2022-05-18 | Method: | ELECTRON MICROSCOPY (5 Å) | Cite: | A Dynamic Substrate Pool Revealed by cryo-EM of a Lipid-Preserved Respiratory Supercomplex. Antioxid.Redox Signal., 2022
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7DGR
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![BU of 7dgr by Molmil](/molmil-images/mine/7dgr) | Activity optimized supercomplex state2 | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ... | Authors: | Jeon, T.J, Lee, S.G, Yoo, S.H, Ryu, J.H, Kim, D.S, Hyun, J.K, Kim, H.M, Ryu, S.E. | Deposit date: | 2020-11-12 | Release date: | 2022-05-18 | Method: | ELECTRON MICROSCOPY (4.6 Å) | Cite: | A Dynamic Substrate Pool Revealed by cryo-EM of a Lipid-Preserved Respiratory Supercomplex. Antioxid.Redox Signal., 2022
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7DGS
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![BU of 7dgs by Molmil](/molmil-images/mine/7dgs) | Activity optimized supercomplex state3 | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ... | Authors: | Jeon, T.J, Lee, S.G, Yoo, S.H, Ryu, J.H, Kim, D.S, Hyun, J.K, Kim, H.M, Ryu, S.E. | Deposit date: | 2020-11-12 | Release date: | 2022-05-18 | Method: | ELECTRON MICROSCOPY (7.8 Å) | Cite: | A Dynamic Substrate Pool Revealed by cryo-EM of a Lipid-Preserved Respiratory Supercomplex. Antioxid.Redox Signal., 2022
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7AY9
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![BU of 7ay9 by Molmil](/molmil-images/mine/7ay9) | Crystal structure of CK2 bound by compound 7 | Descriptor: | 1,2-ETHANEDIOL, 7-(cyclopropylamino)-5-(5-(6-oxo-1,6-dihydropyridin-3-yl)-1-(2-(piperidin-1-yl)ethyl)-1H-1,2,3-triazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile, Casein kinase II subunit alpha, ... | Authors: | Ferguson, A, Collie, G.W. | Deposit date: | 2020-11-11 | Release date: | 2021-11-24 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Metadynamics simulations of CK2 compound unbinding to understand slow dissociation kinetics. To Be Published
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7AYA
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![BU of 7aya by Molmil](/molmil-images/mine/7aya) | Crystal structure of CK2 bound by compound 9 | Descriptor: | 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ... | Authors: | Ferguson, A, Collie, G.W. | Deposit date: | 2020-11-11 | Release date: | 2021-11-24 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Metadynamics simulations of CK2 compound unbinding to understand slow dissociation kinetics. To Be Published
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7DGD
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![BU of 7dgd by Molmil](/molmil-images/mine/7dgd) | apo state of class C GPCR | Descriptor: | Metabotropic glutamate receptor 1 | Authors: | Zhang, J.Y, Wu, L.J, Luo, F, Hua, T, Liu, Z.J. | Deposit date: | 2020-11-11 | Release date: | 2021-09-22 | Method: | ELECTRON MICROSCOPY (3.96 Å) | Cite: | Structural insights into the activation initiation of full-length mGlu1. Protein Cell, 12, 2021
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7DGE
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![BU of 7dge by Molmil](/molmil-images/mine/7dge) | intermediate state of class C GPCR | Descriptor: | (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, Metabotropic glutamate receptor 1, nanobody | Authors: | Zhang, J.Y, Wu, L.J, Luo, F, Hua, T, Liu, Z.J. | Deposit date: | 2020-11-11 | Release date: | 2021-09-22 | Method: | ELECTRON MICROSCOPY (3.65 Å) | Cite: | Structural insights into the activation initiation of full-length mGlu1. Protein Cell, 12, 2021
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7DG4
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![BU of 7dg4 by Molmil](/molmil-images/mine/7dg4) | The co-crystal structure of DYRK2 with a small molecule inhibitor 6 | Descriptor: | 2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine, Dual specificity tyrosine-phosphorylation-regulated kinase 2 | Authors: | Wei, T, Xiao, J. | Deposit date: | 2020-11-10 | Release date: | 2021-11-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry. Elife, 11, 2022
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7AXV
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![BU of 7axv by Molmil](/molmil-images/mine/7axv) | Crystal structure of the cAMP-dependent protein kinase A cocrystallized with 5-isoquinolinesulfonic acid and PKI (5-24) | Descriptor: | DIMETHYL SULFOXIDE, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, ... | Authors: | Oebbeke, M, Wienen-Schmidt, B, Heine, A, Klebe, G. | Deposit date: | 2020-11-10 | Release date: | 2021-11-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Fragment based drug design - Small chemical changes of fragments effecting big changes in binding To Be Published
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