7DAN
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2RQH
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![BU of 2rqh by Molmil](/molmil-images/mine/2rqh) | Structure of GSPT1/ERF3A-PABC | Descriptor: | G1 to S phase transition 1, Polyadenylate-binding protein 1 | Authors: | Osawa, M, Nakanishi, T, Hosoda, N, Uchida, S, Hoshino, T, Katada, I, Shimada, I. | Deposit date: | 2009-05-08 | Release date: | 2010-05-26 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Eukaryotic Translation Termination Factor Gspt/Erf3 Recognizes Pabp with Chemical Exchange Using Two Overlapping Motifs To be Published
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1MUX
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![BU of 1mux by Molmil](/molmil-images/mine/1mux) | SOLUTION NMR STRUCTURE OF CALMODULIN/W-7 COMPLEX: THE BASIS OF DIVERSITY IN MOLECULAR RECOGNITION, 30 STRUCTURES | Descriptor: | CALCIUM ION, CALMODULIN, N-(6-AMINOHEXYL)-5-CHLORO-1-NAPHTHALENESULFONAMIDE | Authors: | Osawa, M, Swindells, M.B, Tanikawa, J, Tanaka, T, Mase, T, Furuya, T, Ikura, M. | Deposit date: | 1997-09-06 | Release date: | 1998-10-14 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of calmodulin-W-7 complex: the basis of diversity in molecular recognition. J.Mol.Biol., 276, 1998
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1CKK
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![BU of 1ckk by Molmil](/molmil-images/mine/1ckk) | CALMODULIN/RAT CA2+/CALMODULIN DEPENDENT PROTEIN KINASE FRAGMENT | Descriptor: | CALCIUM ION, Calcium/calmodulin-dependent protein kinase kinase 1, Calmodulin-1 | Authors: | Osawa, M, Tokumitsu, H, Swindells, M.B, Kurihara, H, Orita, M, Shibanuma, T, Furuya, T, Ikura, M. | Deposit date: | 1998-11-20 | Release date: | 1999-09-10 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | A novel target recognition revealed by calmodulin in complex with Ca2+-calmodulin-dependent kinase kinase. Nat.Struct.Biol., 6, 1999
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7W97
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![BU of 7w97 by Molmil](/molmil-images/mine/7w97) | Crystal Structure of the CYP102A1 (P450BM3) Heme Domain with N-Hexadecanoyl-L-Homoserine | Descriptor: | (2~{S})-2-(hexadecanoylamino)-4-oxidanyl-butanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, ... | Authors: | Karasawa, M, Stanfield, J.K, Kasai, C, Sugimoto, H, Shoji, O. | Deposit date: | 2021-12-09 | Release date: | 2022-12-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal Structure of the CYP102A1 (P450BM3) Heme Domain with N-Hexadecanoyl-L-Homoserine To Be Published
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7W9D
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![BU of 7w9d by Molmil](/molmil-images/mine/7w9d) | Crystal Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 (P450BM3) Heme Domain with N-Hexadecanoyl-L-Homoserine | Descriptor: | (2~{S})-2-(hexadecanoylamino)-4-oxidanyl-butanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, ... | Authors: | Karasawa, M, Stanfield, J.K, Kasai, C, Sugimoto, H, Shoji, O. | Deposit date: | 2021-12-09 | Release date: | 2022-12-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystal Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 (P450BM3) Heme Domain with N-Hexadecanoyl-L-Homoserine To Be Published
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7W9J
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![BU of 7w9j by Molmil](/molmil-images/mine/7w9j) | Crystal Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 (P450BM3) Heme Domain with N-Dodecanoyl-L-Homoserine Lactone | Descriptor: | Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, N-[(3S)-2-oxooxolan-3-yl]dodecanamide, ... | Authors: | Karasawa, M, Stanfield, J.K, Kasai, C, Sugimoto, H, Shoji, O. | Deposit date: | 2021-12-09 | Release date: | 2022-12-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 (P450BM3) Heme Domain with N-Dodecanoyl-L-Homoserine Lactone To Be Published
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2RQG
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![BU of 2rqg by Molmil](/molmil-images/mine/2rqg) | Structure of GSPT1/ERF3A-PABC | Descriptor: | G1 to S phase transition 1, Polyadenylate-binding protein 1 | Authors: | Osawa, M, Nakanishi, T, Hosoda, N, Uchida, S, Hoshino, T, Katada, I, Shimada, I. | Deposit date: | 2009-05-08 | Release date: | 2010-05-26 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Eukaryotic Translation Termination Factor Gspt/Erf3 Recognizes Pabp with Chemical Exchange Using Two Overlapping Motifs To be Published
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5Y90
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![BU of 5y90 by Molmil](/molmil-images/mine/5y90) | MAP2K7 mutant -C218S | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 7, GLYCEROL | Authors: | Kinoshita, T, Hashimoto, T, Sogabe, Y, Matsumoto, T, Sawa, M, Fukada, H. | Deposit date: | 2017-08-22 | Release date: | 2017-10-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | High-resolution structure discloses the potential for allosteric regulation of mitogen-activated protein kinase kinase 7 Biochem. Biophys. Res. Commun., 493, 2017
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5ZZ4
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![BU of 5zz4 by Molmil](/molmil-images/mine/5zz4) | Crystal structure of bruton's tyrosine kinase in complex with inhibitor 2e | Descriptor: | N-[3-(4-amino-6-{[4-(morpholine-4-carbonyl)phenyl]amino}-1,3,5-triazin-2-yl)-2-methylphenyl]-4-tert-butylbenzamide, Tyrosine-protein kinase BTK | Authors: | Kawahata, W, Asami, T, Irie, T, Kiyoi, T, Taniguchi, H, Asamitsu, Y, Inoue, T, Miyake, T, Sawa, M. | Deposit date: | 2018-05-30 | Release date: | 2018-09-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Design and Synthesis of Novel Amino-triazine Analogues as Selective Bruton's Tyrosine Kinase Inhibitors for Treatment of Rheumatoid Arthritis. J. Med. Chem., 61, 2018
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5B2L
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![BU of 5b2l by Molmil](/molmil-images/mine/5b2l) | A crucial role of Cys218 in the stabilization of an unprecedented auto-inhibition form of MAP2K7 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Dual specificity mitogen-activated protein kinase kinase 7, GLYCEROL | Authors: | Sogabe, Y, Hashimoto, T, Matsumoto, T, Kirii, Y, Sawa, M, Kinoshita, T. | Deposit date: | 2016-01-19 | Release date: | 2016-04-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A crucial role of Cys218 in configuring an unprecedented auto-inhibition form of MAP2K7 Biochem.Biophys.Res.Commun., 473, 2016
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5B2K
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![BU of 5b2k by Molmil](/molmil-images/mine/5b2k) | A crucial role of Cys218 in the stabilization of an unprecedented auto-inhibition form of MAP2K7 | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 7 | Authors: | Sogabe, Y, Hashimoto, T, Matsumoto, T, Kirii, Y, Sawa, M, Kinoshita, T. | Deposit date: | 2016-01-19 | Release date: | 2016-04-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | A crucial role of Cys218 in configuring an unprecedented auto-inhibition form of MAP2K7 Biochem.Biophys.Res.Commun., 473, 2016
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5B2M
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![BU of 5b2m by Molmil](/molmil-images/mine/5b2m) | A crucial role of Cys218 in the stabilization of an unprecedented auto-inhibition form of MAP2K7 | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 7 | Authors: | Sogabe, Y, Hashimoto, T, Matsumoto, T, Kirii, Y, Sawa, M, Kinoshita, T. | Deposit date: | 2016-01-19 | Release date: | 2016-04-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.06 Å) | Cite: | A crucial role of Cys218 in configuring an unprecedented auto-inhibition form of MAP2K7 Biochem.Biophys.Res.Commun., 473, 2016
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7D8N
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![BU of 7d8n by Molmil](/molmil-images/mine/7d8n) | Structure of the inactive form of wild-type peptidylarginine deiminase type III (PAD3) crystallized under the condition with high concentrations of Ca2+ | Descriptor: | CALCIUM ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Funabashi, K, Sawata, M, Unno, M. | Deposit date: | 2020-10-08 | Release date: | 2021-06-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.753 Å) | Cite: | Structures of human peptidylarginine deiminase type III provide insights into substrate recognition and inhibitor design. Arch.Biochem.Biophys., 708, 2021
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3VV6
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![BU of 3vv6 by Molmil](/molmil-images/mine/3vv6) | Crystal Structure of beta secetase in complex with 2-amino-3-methyl-6-((1S, 2R)-2-phenylcyclopropyl)pyrimidin-4(3H)-one | Descriptor: | 2-amino-3-methyl-6-[(1S,2R)-2-phenylcyclopropyl]pyrimidin-4(3H)-one, Beta-secretase 1, GLYCEROL, ... | Authors: | Yonezawa, S, Yamamoto, T, Yamakawa, H, Muto, C, Hosono, M, Hattori, K, Higashino, K, Sakagami, M, Togame, H, Tanaka, Y, Nakano, T, Takemoto, H, Arisawa, M, Shuto, S. | Deposit date: | 2012-07-17 | Release date: | 2012-10-24 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Conformational restriction approach to beta-secretase (BACE1) inhibitors: effect of a cyclopropane ring to induce an alternative binding mode J.Med.Chem., 55, 2012
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4UNV
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![BU of 4unv by Molmil](/molmil-images/mine/4unv) | Covalent dimer of lambda variable domains | Descriptor: | IG LAMBDA CHAIN V-II REGION MGC, SULFATE ION | Authors: | Brumshtein, B, Esswein, S, Landau, M, Ryan, C, Whitelegge, J, Sawaya, M, Eisenberg, D.S. | Deposit date: | 2014-05-30 | Release date: | 2014-08-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Formation of Amyloid Fibers by Monomeric Light-Chain Variable Domains. J.Biol.Chem., 289, 2014
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5WMJ
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7BWI
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![BU of 7bwi by Molmil](/molmil-images/mine/7bwi) | Solution structure of recombinant APETx1 | Descriptor: | Kappa-actitoxin-Ael2a | Authors: | Matsumura, K, Kobayashi, N, Kurita, J, Nishimura, Y, Yokogawa, M, Imai, S, Shimada, I, Osawa, M. | Deposit date: | 2020-04-14 | Release date: | 2020-12-23 | Last modified: | 2021-07-14 | Method: | SOLUTION NMR | Cite: | Mechanism of hERG inhibition by gating-modifier toxin, APETx1, deduced by functional characterization. Bmc Mol Cell Biol, 22, 2021
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6WX1
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![BU of 6wx1 by Molmil](/molmil-images/mine/6wx1) | Antigen Binding Fragment of OKT9 | Descriptor: | GLYCEROL, OKT9 Fab Heavy Chain, OKT9 Fab Light Chain | Authors: | Rodriguez, J.A, Helguera, G, Sawaya, M, Cascio, D, Collazo, M, Flores, M, Zink, S, Ferrero, S, Payes, C, Fuentes, D, Short, C. | Deposit date: | 2020-05-09 | Release date: | 2021-05-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Antibody-Based Inhibition of Pathogenic New World Hemorrhagic Fever Mammarenaviruses by Steric Occlusion of the Human Transferrin Receptor 1 Apical Domain. J.Virol., 95, 2021
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7UCP
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![BU of 7ucp by Molmil](/molmil-images/mine/7ucp) | computationally designed macrocycle | Descriptor: | computationally designed cyclic peptide D8.3.p2 | Authors: | Bhardwaj, G, Baker, D, Rettie, S, Glynn, C, Sawaya, M. | Deposit date: | 2022-03-17 | Release date: | 2022-09-14 | Last modified: | 2022-09-28 | Method: | X-RAY DIFFRACTION (0.85 Å) | Cite: | Accurate de novo design of membrane-traversing macrocycles. Cell, 185, 2022
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4J70
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![BU of 4j70 by Molmil](/molmil-images/mine/4j70) | Yeast 20S proteasome in complex with the belactosin derivative 3e | Descriptor: | Proteasome component C1, Proteasome component C11, Proteasome component C5, ... | Authors: | Kawamura, S, Unno, Y, List, A, Tanaka, M, Sasaki, T, Arisawa, M, Asai, A, Groll, M, Shuto, S. | Deposit date: | 2013-02-12 | Release date: | 2013-04-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Potent Proteasome Inhibitors Derived from the Unnatural cis-Cyclopropane Isomer of Belactosin A: Synthesis, Biological Activity, and Mode of Action. J.Med.Chem., 56, 2013
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2MLQ
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![BU of 2mlq by Molmil](/molmil-images/mine/2mlq) | Human CCR2 Membrane-Proximal C-Terminal Region (PRO-C) in a frount bound form | Descriptor: | MCP-1 receptor | Authors: | Esaki, K, Yoshinaga, S, Tsuji, T, Toda, E, Terashima, Y, Saitoh, T, Kohda, D, Kohno, T, Osawa, M, Ueda, T, Shimada, I, Matsushima, K, Terasawa, H. | Deposit date: | 2014-03-04 | Release date: | 2014-10-08 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural basis for the binding of the membrane-proximal C-terminal region of chemokine receptor CCR2 with the cytosolic regulator FROUNT. Febs J., 281, 2014
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8JLB
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![BU of 8jlb by Molmil](/molmil-images/mine/8jlb) | Cryo-EM structure of the 145 bp human nucleosome containing H3.2 C110A mutant | Descriptor: | DNA (145-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ... | Authors: | Oishi, T, Hatazawa, S, Kujirai, T, Kato, J, Kobayashi, Y, Ogasawara, M, Akatsu, M, Takizawa, Y, Kurumizaka, H. | Deposit date: | 2023-06-02 | Release date: | 2023-10-04 | Last modified: | 2023-11-08 | Method: | ELECTRON MICROSCOPY (2.36 Å) | Cite: | Contributions of histone tail clipping and acetylation in nucleosome transcription by RNA polymerase II. Nucleic Acids Res., 51, 2023
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8JL9
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![BU of 8jl9 by Molmil](/molmil-images/mine/8jl9) | Cryo-EM structure of the human nucleosome with scFv | Descriptor: | DNA (193-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ... | Authors: | Oishi, T, Hatazawa, S, Kujirai, T, Kato, J, Kobayashi, Y, Ogasawara, M, Akatsu, M, Takizawa, Y, Kurumizaka, H. | Deposit date: | 2023-06-02 | Release date: | 2023-10-04 | Last modified: | 2023-11-08 | Method: | ELECTRON MICROSCOPY (2.65 Å) | Cite: | Contributions of histone tail clipping and acetylation in nucleosome transcription by RNA polymerase II. Nucleic Acids Res., 51, 2023
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8JLD
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![BU of 8jld by Molmil](/molmil-images/mine/8jld) | Cryo-EM structure of the 145 bp human nucleosome containing acetylated H3 tail | Descriptor: | DNA (145-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ... | Authors: | Oishi, T, Hatazawa, S, Kujirai, T, Kato, J, Kobayashi, Y, Ogasawara, M, Akatsu, M, Takizawa, Y, Kurumizaka, H. | Deposit date: | 2023-06-02 | Release date: | 2023-10-04 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.48 Å) | Cite: | Contributions of histone tail clipping and acetylation in nucleosome transcription by RNA polymerase II. Nucleic Acids Res., 51, 2023
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