5JXL
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1UI7
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![BU of 1ui7 by Molmil](/molmil-images/mine/1ui7) | Site-directed mutagenesis of His433 involved in binding of copper ion in Arthrobacter globiformis amine oxidase | Descriptor: | COPPER (II) ION, Phenylethylamine oxidase | Authors: | Matsunami, H, Okajima, T, Hirota, S, Yamaguchi, H, Hori, H, Kuroda, S, Tanizawa, K. | Deposit date: | 2003-07-15 | Release date: | 2004-04-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Chemical rescue of a site-specific mutant of bacterial copper amine oxidase for generation of the topa quinone cofactor Biochemistry, 43, 2004
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1UI8
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![BU of 1ui8 by Molmil](/molmil-images/mine/1ui8) | Site-directed mutagenesis of His592 involved in binding of copper ion in Arthrobacter globiformis amine oxidase | Descriptor: | COPPER (II) ION, Phenylethylamine oxidase | Authors: | Matsunami, H, Okajima, T, Hirota, S, Yamaguchi, H, Hori, H, Kuroda, S, Tanizawa, K. | Deposit date: | 2003-07-15 | Release date: | 2004-04-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Chemical rescue of a site-specific mutant of bacterial copper amine oxidase for generation of the topa quinone cofactor Biochemistry, 43, 2004
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7EHA
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![BU of 7eha by Molmil](/molmil-images/mine/7eha) | Crystal structure of the flagellar hook cap from Salmonella enterica serovar Typhimurium | Descriptor: | Basal-body rod modification protein FlgD | Authors: | Matsunami, H, Yoon, Y.-H, Imada, K, Namba, K, Samatey, F.A. | Deposit date: | 2021-03-29 | Release date: | 2021-11-24 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structure of the bacterial flagellar hook cap provides insights into a hook assembly mechanism Commun Biol, 4, 2021
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7EH9
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![BU of 7eh9 by Molmil](/molmil-images/mine/7eh9) | Crystal structure of the flagellar hook cap fragment from Salmonella enterica serovar Typhimurium | Descriptor: | Basal-body rod modification protein FlgD | Authors: | Matsunami, H, Yoon, Y.-H, Imada, K, Namba, K, Samatey, F.A. | Deposit date: | 2021-03-29 | Release date: | 2021-11-24 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of the bacterial flagellar hook cap provides insights into a hook assembly mechanism Commun Biol, 4, 2021
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3TEE
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![BU of 3tee by Molmil](/molmil-images/mine/3tee) | Crystal Structure of Salmonella FlgA in open form | Descriptor: | CHLORIDE ION, Flagella basal body P-ring formation protein flgA, GLYCEROL | Authors: | Matsunami, H, Samatey, F.A, Namba, K. | Deposit date: | 2011-08-12 | Release date: | 2012-08-15 | Last modified: | 2016-07-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural flexibility of the periplasmic protein, FlgA, regulates flagellar P-ring assembly in Salmonella enterica Sci Rep, 6, 2016
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3VJP
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3VKI
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3TT3
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3TU0
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3TT1
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8UTE
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![BU of 8ute by Molmil](/molmil-images/mine/8ute) | Structure of SARS-Cov2 3CLPro in complex with Compound 27 | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S)-6,6-difluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | Authors: | Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J. | Deposit date: | 2023-10-31 | Release date: | 2024-03-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic. J.Med.Chem., 67, 2024
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8UPV
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![BU of 8upv by Molmil](/molmil-images/mine/8upv) | Structure of SARS-Cov2 3CLPro in complex with Compound 33 | Descriptor: | 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6R)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | Authors: | Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J. | Deposit date: | 2023-10-23 | Release date: | 2024-03-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic. J.Med.Chem., 67, 2024
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8UPW
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![BU of 8upw by Molmil](/molmil-images/mine/8upw) | Structure of SARS-Cov2 3CLPro in complex with Compound 34 | Descriptor: | 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6S)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | Authors: | Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J. | Deposit date: | 2023-10-23 | Release date: | 2024-03-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic. J.Med.Chem., 67, 2024
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2ZFU
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![BU of 2zfu by Molmil](/molmil-images/mine/2zfu) | Structure of the methyltransferase-like domain of nucleomethylin | Descriptor: | Cerebral protein 1, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Minami, H, Hashimoto, H, Murayama, A, Yanagisawa, J, Sato, M, Shimizu, T. | Deposit date: | 2008-01-14 | Release date: | 2008-12-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Epigenetic control of rDNA loci in response to intracellular energy status Cell(Cambridge,Mass.), 133, 2008
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3P5K
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![BU of 3p5k by Molmil](/molmil-images/mine/3p5k) | P38 inhibitor-bound | Descriptor: | 1-{5-tert-butyl-3-[(1,1-dioxidothiomorpholin-4-yl)carbonyl]thiophen-2-yl}-3-naphthalen-1-ylurea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Namboodiri, H. | Deposit date: | 2010-10-08 | Release date: | 2011-11-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Discovery of a novel class of non-ATP site DFG-out state p38 inhibitors utilizing computationally assisted virtual fragment-based drug design (vFBDD). Bioorg.Med.Chem.Lett., 21, 2011
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7VYT
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![BU of 7vyt by Molmil](/molmil-images/mine/7vyt) | Crystal structure of human TIGIT(23-129) in complex with the scFv fragment of anti-TIGIT antibody MG1131 | Descriptor: | CITRATE ANION, MG1131 heavy chain variable region, MG1131 light chain variable region, ... | Authors: | Jeong, B.-S, Nam, H, Kim, M, Oh, B.-H. | Deposit date: | 2021-11-15 | Release date: | 2022-03-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Structural and functional characterization of a monoclonal antibody blocking TIGIT. Mabs, 14, 2022
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8UPS
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![BU of 8ups by Molmil](/molmil-images/mine/8ups) | Structure of SARS-Cov2 3CLPro in complex with Compound 5 | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, PHOSPHATE ION | Authors: | Wu, Y, Qiang, D, Zhuang, N, Krishnamurthy, H, Klein, D.J. | Deposit date: | 2023-10-23 | Release date: | 2024-03-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic. J.Med.Chem., 67, 2024
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5H6M
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![BU of 5h6m by Molmil](/molmil-images/mine/5h6m) | DNA targeting ADP-ribosyltransferase Pierisin-1 | Descriptor: | 1,2-ETHANEDIOL, Pierisin-1 | Authors: | Oda, T, Hirabayashi, H, Shikauchi, G, Takamura, R, Hiraga, K, Minami, H, Hashimoto, H, Yamamoto, M, Wakabayashi, K, Sugimura, T, Shimizu, T, Sato, M. | Deposit date: | 2016-11-14 | Release date: | 2017-08-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis of autoinhibition and activation of the DNA-targeting ADP-ribosyltransferase pierisin-1 J. Biol. Chem., 292, 2017
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5H6J
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![BU of 5h6j by Molmil](/molmil-images/mine/5h6j) | DNA targeting ADP-ribosyltransferase Pierisin-1 in complex with beta-NAD+ | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Pierisin-1 | Authors: | Oda, T, Hirabayashi, H, Shikauchi, G, Takamura, R, Hiraga, K, Minami, H, Hashimoto, H, Yamamoto, M, Wakabayashi, K, Sugimura, T, Shimizu, T, Sato, M. | Deposit date: | 2016-11-14 | Release date: | 2017-08-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis of autoinhibition and activation of the DNA-targeting ADP-ribosyltransferase pierisin-1 J. Biol. Chem., 292, 2017
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5H6N
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![BU of 5h6n by Molmil](/molmil-images/mine/5h6n) | DNA targeting ADP-ribosyltransferase Pierisin-1, autoinhibitory form | Descriptor: | Pierisin-1 | Authors: | Oda, T, Hirabayashi, H, Shikauchi, G, Takamura, R, Hiraga, K, Minami, H, Hashimoto, H, Yamamoto, M, Wakabayashi, K, Sugimura, T, Shimizu, T, Sato, M. | Deposit date: | 2016-11-14 | Release date: | 2017-08-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis of autoinhibition and activation of the DNA-targeting ADP-ribosyltransferase pierisin-1 J. Biol. Chem., 292, 2017
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5H6K
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![BU of 5h6k by Molmil](/molmil-images/mine/5h6k) | DNA targeting ADP-ribosyltransferase Pierisin-1 | Descriptor: | 1,2-ETHANEDIOL, Pierisin-1 | Authors: | Oda, T, Hirabayashi, H, Shikauchi, G, Takamura, R, Hiraga, K, Minami, H, Hashimoto, H, Yamamoto, M, Wakabayashi, K, Sugimura, T, Shimizu, T, Sato, M. | Deposit date: | 2016-11-14 | Release date: | 2017-08-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis of autoinhibition and activation of the DNA-targeting ADP-ribosyltransferase pierisin-1 J. Biol. Chem., 292, 2017
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5EE7
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![BU of 5ee7 by Molmil](/molmil-images/mine/5ee7) | Crystal structure of the human glucagon receptor (GCGR) in complex with the antagonist MK-0893 | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, 3-[[4-[(1~{S})-1-[3-[3,5-bis(chloranyl)phenyl]-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]phenyl]carbonylamino]propanoic acid, Glucagon receptor,Endolysin,Glucagon receptor, ... | Authors: | Jazayeri, A, Dore, A.S, Lamb, D, Krishnamurthy, H, Southall, S.M, Baig, A.H, Bortolato, A, Koglin, M, Robertson, N.J, Errey, J.C, Andrews, S.P, Brown, A.J.H, Cooke, R.M, Weir, M, Marshall, F.H. | Deposit date: | 2015-10-22 | Release date: | 2016-04-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Extra-helical binding site of a glucagon receptor antagonist. Nature, 533, 2016
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5H6L
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![BU of 5h6l by Molmil](/molmil-images/mine/5h6l) | DNA targeting ADP-ribosyltransferase Pierisin-1 in complex with beta-NAD+ | Descriptor: | 1,2-ETHANEDIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Pierisin-1 | Authors: | Oda, T, Hirabayashi, H, Shikauchi, G, Takamura, R, Hiraga, K, Minami, H, Hashimoto, H, Yamamoto, M, Wakabayashi, K, Sugimura, T, Shimizu, T, Sato, M. | Deposit date: | 2016-11-14 | Release date: | 2017-08-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis of autoinhibition and activation of the DNA-targeting ADP-ribosyltransferase pierisin-1 J. Biol. Chem., 292, 2017
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5XOF
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![BU of 5xof by Molmil](/molmil-images/mine/5xof) | Crystal structure of human paired immunoglobulin-like type 2 receptor alpha with synthesized glycopeptide I | Descriptor: | N-acetyl-alpha-neuraminic acid-(2-6)-2-acetamido-2-deoxy-alpha-D-glucopyranose, Paired immunoglobulin-like type 2 receptor alpha, Peptide from Nitric oxide synthase, ... | Authors: | Furukawa, A, Kakita, K, Yamada, T, Ishizuka, M, Sakamoto, J, Hatori, N, Maeda, N, Ohsaka, F, Saitoh, T, Nomura, T, Kuroki, K, Nambu, H, Arase, H, Matsunaga, H, Anada, M, Ose, T, Hashimoto, S, Maenaka, K. | Deposit date: | 2017-05-28 | Release date: | 2017-10-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.963 Å) | Cite: | Structural and thermodynamic analyses reveal critical features of glycopeptide recognition by the human PILR alpha immune cell receptor. J. Biol. Chem., 292, 2017
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