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3VJP
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BU of 3vjp by Molmil
Orthorhombic Crystal Structure of Salmonella FlgA in closed form
Descriptor: Flagella basal body P-ring formation protein flgA
Authors:Matsunami, H, Samatey, F.A, Namba, K.
Deposit date:2011-10-27
Release date:2012-10-31
Last modified:2016-07-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural flexibility of the periplasmic protein, FlgA, regulates flagellar P-ring assembly in Salmonella enterica
Sci Rep, 6, 2016
3TEE
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BU of 3tee by Molmil
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
3VKI
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BU of 3vki by Molmil
Monoclinic Crystal Structure of Salmonella FlgA in closed form
Descriptor: Flagella basal body P-ring formation protein flgA
Authors:Matsunami, H, Samatey, F.A, Namba, K.
Deposit date:2011-11-16
Release date:2012-11-21
Last modified:2016-07-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural flexibility of the periplasmic protein, FlgA, regulates flagellar P-ring assembly in Salmonella enterica
Sci Rep, 6, 2016
5JXL
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BU of 5jxl by Molmil
Cryo-EM structure of the flagellar hook of Campylobacter jejuni
Descriptor: flagellar hook protein FlgE
Authors:Matsunami, H, Wolf, M, Samatey, F.A.
Deposit date:2016-05-13
Release date:2016-11-16
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Complete structure of the bacterial flagellar hook reveals extensive set of stabilizing interactions
Nat Commun, 7, 2016
1UI7
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BU of 1ui7 by Molmil
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
1UI8
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BU of 1ui8 by Molmil
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
7EH9
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BU of 7eh9 by Molmil
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
7EHA
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BU of 7eha by Molmil
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
3TT1
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BU of 3tt1 by Molmil
Crystal Structure of LeuT in the outward-open conformation in complex with Fab
Descriptor: Leucine transporter LeuT, SODIUM ION, mouse monoclonal 1gG2a Fab fragment, ...
Authors:Krishnamurthy, H, Gouaux, E.
Deposit date:2011-09-13
Release date:2012-01-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.099 Å)
Cite:X-ray structures of LeuT in substrate-free outward-open and apo inward-open states.
Nature, 481, 2012
3TT3
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BU of 3tt3 by Molmil
Crystal Structure of LeuT in the inward-open conformation in complex with Fab
Descriptor: Leucine transporter LeuT, mouse monoclonal 1gG1 Fab fragment, heavy chain, ...
Authors:Krishnamurthy, H, Gouaux, E.
Deposit date:2011-09-13
Release date:2012-01-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.22 Å)
Cite:X-ray structures of LeuT in substrate-free outward-open and apo inward-open states.
Nature, 481, 2012
3TU0
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BU of 3tu0 by Molmil
Crystal structure of T355V, S354A, K288A LeuT mutant in complex with alanine and sodium
Descriptor: ALANINE, Leucine transporter LeuT, SODIUM ION
Authors:Krishnamurthy, H, Gouaux, E.
Deposit date:2011-09-15
Release date:2012-01-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.994 Å)
Cite:X-ray structures of LeuT in substrate-free outward-open and apo inward-open states.
Nature, 481, 2012
8UPW
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BU of 8upw by Molmil
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
8UTE
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BU of 8ute by Molmil
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
8UPV
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BU of 8upv by Molmil
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
3P5K
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BU of 3p5k by Molmil
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
2ZFU
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BU of 2zfu by Molmil
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
5EE7
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BU of 5ee7 by Molmil
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
7VYT
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BU of 7vyt by Molmil
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
6L49
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BU of 6l49 by Molmil
H3-CA-H3 tri-nucleosome with the 22 base-pair linker DNA
Descriptor: DNA (485-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
Authors:Takizawa, Y, Ho, C.-H, Tachiwana, H, Matsunami, H, Ohi, M, Wolf, M, Kurumizaka, H.
Deposit date:2019-10-16
Release date:2019-12-04
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (18.9 Å)
Cite:Cryo-EM Structures of Centromeric Tri-nucleosomes Containing a Central CENP-A Nucleosome.
Structure, 28, 2020
6L4A
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BU of 6l4a by Molmil
H3-H3-H3 tri-nucleosome with the 22 base-pair linker DNA
Descriptor: DNA (485-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
Authors:Takizawa, Y, Ho, C.-H, Tachiwana, H, Matsunami, H, Ohi, M, Wolf, M, Kurumizaka, H.
Deposit date:2019-10-16
Release date:2019-12-04
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (12.3 Å)
Cite:Cryo-EM Structures of Centromeric Tri-nucleosomes Containing a Central CENP-A Nucleosome.
Structure, 28, 2020
6KMF
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BU of 6kmf by Molmil
FimA type V pilus from P.gingivalis
Descriptor: Major fimbrium subunit FimA type-1
Authors:Shibata, S, Shoji, M, Matsunami, H, Matthews, M, Imada, K, Nakayama, K, Wolf, M.
Deposit date:2019-07-31
Release date:2020-04-15
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure of polymerized type V pilin reveals assembly mechanism involving protease-mediated strand exchange.
Nat Microbiol, 5, 2020
5H6L
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BU of 5h6l by Molmil
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
5H6M
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BU of 5h6m by Molmil
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
5H6J
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BU of 5h6j by Molmil
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
5H6N
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BU of 5h6n by Molmil
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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