7W5O
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![BU of 7w5o by Molmil](/molmil-images/mine/7w5o) | Crystal structure of ERK2 with an allosteric inhibitor | Descriptor: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, 13-[4-({Imidazo[1,2-a]pyridin-2-yl}methoxy)phenyl]-4,8-dioxa-12,14,16,18-tetraazatetracyclo[9.7.0.0^{3,9}.0^{12,17}]octadeca-1(11),2,9,15,17-pentaen-15-amine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Yoshida, M, Kinoshita, T. | Deposit date: | 2021-11-30 | Release date: | 2022-02-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Identification of a novel target site for ATP-independent ERK2 inhibitors. Biochem.Biophys.Res.Commun., 593, 2022
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7XC1
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![BU of 7xc1 by Molmil](/molmil-images/mine/7xc1) | Crystal structure of ERK2 with an allosteric inhibitor 3 | Descriptor: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ... | Authors: | Yoshida, M, Kinoshita, T. | Deposit date: | 2022-03-22 | Release date: | 2023-03-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structural basis for ERK2 allosteric inhibitors. To Be Published
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2ZLA
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![BU of 2zla by Molmil](/molmil-images/mine/2zla) | 2-Substituted-16-ene-22-thia-1alpha,25-dihydroxy-26,27-dimethyl-19-norvitamin D3 analogs: Synthesis, biological evaluation and crystal structure | Descriptor: | (1R,2S,3R,5Z,7E)-17-{(1R)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethoxy)-9,10-secoestra-5,7,16-triene-1,3-diol, Coactivator peptide DRIP, Vitamin D3 receptor | Authors: | Shimizu, M, Miyamoto, Y, Nakabayashi, M, Masuno, H, Ikura, T, Ito, N. | Deposit date: | 2008-04-04 | Release date: | 2008-06-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 2-Substituted-16-ene-22-thia-1alpha,25-dihydroxy-26,27-dimethyl-19-norvitamin D3 analogs: Synthesis, biological evaluation, and crystal structure Bioorg.Med.Chem., 16, 2008
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2ZL9
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![BU of 2zl9 by Molmil](/molmil-images/mine/2zl9) | 2-Substituted-16-ene-22-thia-1alpha,25-dihydroxy-26,27-dimethyl-19-norvitamin D3 analogs: Synthesis, biological evaluation and crystal structure | Descriptor: | (1R,2R,3R,5Z)-17-{(1S)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethoxy)-9,10-secoestra-5,7,16-triene-1,3-diol, Coactivator peptide DRIP, Vitamin D3 receptor | Authors: | Shimizu, M, Miyamoto, Y, Nakabayashi, M, Masuno, H, Ikura, T, Ito, N. | Deposit date: | 2008-04-04 | Release date: | 2008-06-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 2-Substituted-16-ene-22-thia-1alpha,25-dihydroxy-26,27-dimethyl-19-norvitamin D3 analogs: Synthesis, biological evaluation, and crystal structure Bioorg.Med.Chem., 16, 2008
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2ZLC
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![BU of 2zlc by Molmil](/molmil-images/mine/2zlc) | 2-Substituted-16-ene-22-thia-1alpha,25-dihydroxy-26,27-dimethyl-19-norvitamin D3 analogs: Synthesis, biological evaluation and crystal structure | Descriptor: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, Coactivator peptide DRIP, Vitamin D3 receptor | Authors: | Shimizu, M, Miyamoto, Y, Nakabayashi, M, Masuno, H, Ikura, T, Ito, N. | Deposit date: | 2008-04-04 | Release date: | 2008-06-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 2-Substituted-16-ene-22-thia-1alpha,25-dihydroxy-26,27-dimethyl-19-norvitamin D3 analogs: Synthesis, biological evaluation, and crystal structure Bioorg.Med.Chem., 16, 2008
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7EIP
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![BU of 7eip by Molmil](/molmil-images/mine/7eip) | Crystal structure of ligand-free chondroitin ABC lyase I | Descriptor: | ACETATE ION, Chondroitin sulfate ABC endolyase, MAGNESIUM ION | Authors: | Takashima, M, Miyanaga, A, Eguchi, T. | Deposit date: | 2021-03-31 | Release date: | 2021-08-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Substrate specificity of Chondroitinase ABC I based on analyses of biochemical reactions and crystal structures in complex with disaccharides. Glycobiology, 31, 2021
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7EIS
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7EIR
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![BU of 7eir by Molmil](/molmil-images/mine/7eir) | Crystal structure of chondroitin ABC lyase I in complex with chondroitin disaccharide 6S | Descriptor: | 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-3)-2-acetamido-2-deoxy-6-O-sulfo-beta-D-galactopyranose, Chondroitin sulfate ABC endolyase, GLYCEROL, ... | Authors: | Takashima, M, Miyanaga, A, Eguchi, T. | Deposit date: | 2021-03-31 | Release date: | 2021-08-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Substrate specificity of Chondroitinase ABC I based on analyses of biochemical reactions and crystal structures in complex with disaccharides. Glycobiology, 31, 2021
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7EIQ
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2Z6E
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![BU of 2z6e by Molmil](/molmil-images/mine/2z6e) | Crystal Structure of Human DAAM1 FH2 | Descriptor: | Disheveled-associated activator of morphogenesis 1 | Authors: | Yamashita, M, Higashi, T, Sato, Y, Shirakawa, R, Kita, T, Horiuchi, H, Fukai, S, Nureki, O. | Deposit date: | 2007-07-31 | Release date: | 2008-05-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of human DAAM1 formin homology 2 domain Genes Cells, 12, 2007
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3A58
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![BU of 3a58 by Molmil](/molmil-images/mine/3a58) | Crystal structure of Sec3p - Rho1p complex from Saccharomyces cerevisiae | Descriptor: | Exocyst complex component SEC3, GTP-binding protein RHO1, MAGNESIUM ION, ... | Authors: | Yamashita, M, Sato, Y, Yamagata, A, Mimura, H, Yoshikawa, A, Fukai, S. | Deposit date: | 2009-08-03 | Release date: | 2010-01-12 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis for the Rho- and phosphoinositide-dependent localization of the exocyst subunit Sec3 Nat.Struct.Mol.Biol., 17, 2010
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7X85
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![BU of 7x85 by Molmil](/molmil-images/mine/7x85) | |
7VHZ
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![BU of 7vhz by Molmil](/molmil-images/mine/7vhz) | Crystal structure of EP300 HAT domain in complex with compound 7 | Descriptor: | (2R)-N-(2H-indazol-4-yl)-1-[1-(4-methoxyphenyl)cyclopentyl]carbonyl-pyrrolidine-2-carboxamide, Histone acetyltransferase p300, ZINC ION | Authors: | Takahashi, M, Hanzawa, H. | Deposit date: | 2021-09-24 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of EP300/CBP histone acetyltransferase inhibitors through scaffold hopping of 1,4-oxazepane ring. Bioorg.Med.Chem.Lett., 66, 2022
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7VHY
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![BU of 7vhy by Molmil](/molmil-images/mine/7vhy) | Crystal structure of EP300 HAT domain in complex with compound (+)-3 | Descriptor: | Histone acetyltransferase p300, ZINC ION, [(6R)-6-(1H-indazol-4-ylmethyl)-1,4-oxazepan-4-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone | Authors: | Takahashi, M, Hanzawa, H. | Deposit date: | 2021-09-24 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of EP300/CBP histone acetyltransferase inhibitors through scaffold hopping of 1,4-oxazepane ring. Bioorg.Med.Chem.Lett., 66, 2022
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7VI0
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![BU of 7vi0 by Molmil](/molmil-images/mine/7vi0) | Crystal structure of EP300 HAT domain in complex with compound 11 | Descriptor: | (4S)-N-(3H-indazol-4-yl)-3-[1-(4-methoxyphenyl)cyclopentyl]carbonyl-1,1-bis(oxidanylidene)-1,3-thiazolidine-4-carboxamide, Histone acetyltransferase p300, ZINC ION | Authors: | Takahashi, M, Hanzawa, H. | Deposit date: | 2021-09-24 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of EP300/CBP histone acetyltransferase inhibitors through scaffold hopping of 1,4-oxazepane ring. Bioorg.Med.Chem.Lett., 66, 2022
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5Y25
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![BU of 5y25 by Molmil](/molmil-images/mine/5y25) | EGFR kinase domain mutant (T790M/L858R) with covalent ligand NS-062 | Descriptor: | (2R)-N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]-1-(2-fluoranylethanoyl)pyrrolidine-2-carboxamide, Epidermal growth factor receptor | Authors: | Shiroishi, M, Abe, Y, Caaveiro, J.M.M, Sakamoto, S, Morimoto, S, Fuchida, H, Shindo, N, Ojida, A. | Deposit date: | 2017-07-24 | Release date: | 2018-07-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.102 Å) | Cite: | Selective and reversible modification of kinase cysteines with chlorofluoroacetamides. Nat.Chem.Biol., 15, 2019
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7X4U
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![BU of 7x4u by Molmil](/molmil-images/mine/7x4u) | Crystal structure of ERK2 with an allosteric inhibitor 2 | Descriptor: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ... | Authors: | Yoshida, M, Kinoshita, T. | Deposit date: | 2022-03-03 | Release date: | 2023-03-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structural basis for producing allosteric ERK2 inhibitors To Be Published
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7XZZ
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![BU of 7xzz by Molmil](/molmil-images/mine/7xzz) | Cryo-EM structure of the nucleosome in complex with p53 | Descriptor: | Cellular tumor antigen p53, DNA (169-MER), Histone H2A type 1-B/E, ... | Authors: | Nishimura, M, Nozawa, K, Takizawa, Y, Kurumizaka, H. | Deposit date: | 2022-06-03 | Release date: | 2022-10-12 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (4.07 Å) | Cite: | Structural basis for p53 binding to its nucleosomal target DNA sequence. Pnas Nexus, 1, 2022
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5XMH
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![BU of 5xmh by Molmil](/molmil-images/mine/5xmh) | Crystal structure of an IgM rheumatoid factor YES8c in complex with IgG1 Fc | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoglobulin gamma-1 heavy chain, ... | Authors: | Shiroishi, M, Shimokawa, K, Lee, J.M, Kusakabe, M, Ueda, T. | Deposit date: | 2017-05-15 | Release date: | 2018-03-21 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-function analyses of a stereotypic rheumatoid factor unravel the structural basis for germline-encoded antibody autoreactivity. J. Biol. Chem., 293, 2018
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7XZX
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![BU of 7xzx by Molmil](/molmil-images/mine/7xzx) | Cryo-EM structure of the nucleosome in complex with p53 DNA-binding domain | Descriptor: | Cellular tumor antigen p53, DNA (193-MER), Histone H2A type 1-B/E, ... | Authors: | Nishimura, M, Nozawa, K, Takizawa, Y, Kurumizaka, H. | Deposit date: | 2022-06-03 | Release date: | 2022-10-12 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (4.53 Å) | Cite: | Structural basis for p53 binding to its nucleosomal target DNA sequence. Pnas Nexus, 1, 2022
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1UBB
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![BU of 1ubb by Molmil](/molmil-images/mine/1ubb) | Crystal structure of rat HO-1 in complex with ferrous heme | Descriptor: | Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sugishima, M, Sakamoto, H, Higashimoto, Y, Noguchi, M, Fukuyama, K. | Deposit date: | 2003-04-03 | Release date: | 2003-09-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structures of Ferrous and CO-, CN(-)-, and NO-Bound Forms of Rat Heme Oxygenase-1 (HO-1) in Complex with Heme: Structural Implications for Discrimination between CO and O(2) in HO-1. Biochemistry, 42, 2003
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2E8A
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![BU of 2e8a by Molmil](/molmil-images/mine/2e8a) | Crystal structure of the human Hsp70 ATPase domain in complex with AMP-PNP | Descriptor: | Heat shock 70kDa protein 1A, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Shida, M, Ishii, R, Takagi, T, Kishishita, S, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-01-19 | Release date: | 2008-01-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Direct inter-subdomain interactions switch between the closed and open forms of the Hsp70 nucleotide-binding domain in the nucleotide-free state. Acta Crystallogr.,Sect.D, 66, 2010
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1ULM
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![BU of 1ulm by Molmil](/molmil-images/mine/1ulm) | Crystal Structure of Pokeweed Lectin-D2 complexed with tri-N-acetylchitotriose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, lectin-D2 | Authors: | Hayashida, M, Fujii, T, Ishiguro, M, Hata, Y. | Deposit date: | 2003-09-12 | Release date: | 2003-12-23 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Similarity between protein-protein and protein-carbohydrate interactions, revealed by two crystal structures of lectins from the roots of pokeweed. J.Mol.Biol., 334, 2003
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1ULK
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![BU of 1ulk by Molmil](/molmil-images/mine/1ulk) | Crystal Structure of Pokeweed Lectin-C | Descriptor: | lectin-C | Authors: | Hayashida, M, Fujii, T, Ishiguro, M, Hata, Y. | Deposit date: | 2003-09-12 | Release date: | 2003-12-23 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Similarity between protein-protein and protein-carbohydrate interactions, revealed by two crystal structures of lectins from the roots of pokeweed. J.Mol.Biol., 334, 2003
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2E88
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![BU of 2e88 by Molmil](/molmil-images/mine/2e88) | Crystal structure of the human Hsp70 ATPase domain in the apo form | Descriptor: | Heat shock 70kDa protein 1A, ZINC ION | Authors: | Shida, M, Ishii, R, Takagi, T, Kishishita, S, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-01-19 | Release date: | 2008-01-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Direct inter-subdomain interactions switch between the closed and open forms of the Hsp70 nucleotide-binding domain in the nucleotide-free state. Acta Crystallogr.,Sect.D, 66, 2010
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