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6ZLG
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BU of 6zlg by Molmil
Folding of an iron binding peptide in response to sedimentation is resolved using ferritin as a nano-reactor
分子名称: Ferritin
著者Davidov, G, Abelya, G, Zalk, R, Izbicki, B, Shaibi, S, Spektor, L, Meyron Holtz, E.G, Zarivach, R, Frank, G.A.
登録日2020-06-30
公開日2021-07-07
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Folding of an Intrinsically Disordered Iron-Binding Peptide in Response to Sedimentation Revealed by Cryo-EM.
J.Am.Chem.Soc., 142, 2020
2E82
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BU of 2e82 by Molmil
Crystal structure of human D-amino acid oxidase complexed with imino-DOPA
分子名称: (2E)-3-(3,4-DIHYDROXYPHENYL)-2-IMINOPROPANOIC ACID, D-amino-acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE
著者Kawazoe, T, Tsuge, H, Imagawa, T, Kuramitsu, S, Fukui, K.
登録日2007-01-16
公開日2007-03-06
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis of d-DOPA oxidation by d-amino acid oxidase: Alternative pathway for dopamine biosynthesis.
Biochem.Biophys.Res.Commun., 355, 2007
1COJ
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BU of 1coj by Molmil
FE-SOD FROM AQUIFEX PYROPHILUS, A HYPERTHERMOPHILIC BACTERIUM
分子名称: FE (III) ION, PROTEIN (SUPEROXIDE DISMUTASE)
著者Lim, J.H, Yu, Y.G, Kim, S.-H, Cho, S.-J, Ahn, B.Y, Han, Y.S, Cho, Y.
登録日1999-05-28
公開日1999-06-14
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The crystal structure of an Fe-superoxide dismutase from the hyperthermophile Aquifex pyrophilus at 1.9 A resolution: structural basis for thermostability.
J.Mol.Biol., 270, 1997
1D3V
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BU of 1d3v by Molmil
CRYSTAL STRUCTURE OF THE BINUCLEAR MANGANESE METALLOENZYME ARGINASE COMPLEXED WITH 2(S)-AMINO-6-BORONOHEXANOIC ACID, AN L-ARGININE ANALOG
分子名称: 2(S)-AMINO-6-BORONOHEXANOIC ACID, MANGANESE (II) ION, PROTEIN (ARGINASE)
著者Cox, J.D, Kim, N.N, Traish, A.M, Christianson, D.W.
登録日1999-10-01
公開日1999-11-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Arginase-boronic acid complex highlights a physiological role in erectile function.
Nat.Struct.Biol., 6, 1999
8BT9
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BU of 8bt9 by Molmil
Crystal structure of SlpA domain II (aa 201-310), domain that is involved in the self-assembly and dimerization of the S-layer from Lactobacillus acidophilus
分子名称: NICOTINAMIDE, S-layer protein
著者Sagmeister, T, Grininger, C, Pavkov-Keller, T.
登録日2022-11-28
公開日2023-09-06
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The molecular architecture of Lactobacillus S-layer: Assembly and attachment to teichoic acids.
Proc.Natl.Acad.Sci.USA, 121, 2024
5JH6
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BU of 5jh6 by Molmil
Crystal structure of TL10-92 bound to TAK1-TAB1
分子名称: 2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl prop-2-enoate, Mitogen-activated protein kinase kinase kinase 7,TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
著者Gurbani, D, Westover, K.D.
登録日2016-04-20
公開日2017-02-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.365 Å)
主引用文献Structure-guided development of covalent TAK1 inhibitors.
Bioorg. Med. Chem., 25, 2017
5JI6
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Potent, Reversible MetAP2 Inhibitors via FBDD
分子名称: 4-(3-methylpyridin-4-yl)-6-(trifluoromethyl)-1H-indazole, MANGANESE (II) ION, Methionine aminopeptidase 2, ...
著者Dougan, D.R, Lawson, J.D.
登録日2016-04-21
公開日2016-05-25
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Discovery of potent, reversible MetAP2 inhibitors via fragment based drug discovery and structure based drug design-Part 1.
Bioorg.Med.Chem.Lett., 26, 2016
1RWK
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BU of 1rwk by Molmil
Crystal structure of human caspase-1 in complex with 3-(2-mercapto-acetylamino)-4-oxo-pentanoic acid
分子名称: 3-(2-MERCAPTO-ACETYLAMINO)-4-OXO-PENTANOIC ACID, Interleukin-1 beta convertase
著者Romanowski, M.J, Lam, J.W, Fahr, B.T, O'Brien, T.
登録日2003-12-16
公開日2004-12-28
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural analysis of caspase-1 inhibitors derived from Tethering.
Acta Crystallogr.,Sect.F, 61, 2005
7ZH5
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BU of 7zh5 by Molmil
SARS CoV Spike protein, Open conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin
著者Toelzer, C, Gupta, K, Yadav, S.K.N, Buzas, D, Borucu, U, Schaffitzel, C, Berger, I.
登録日2022-04-05
公開日2023-02-15
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献The free fatty acid-binding pocket is a conserved hallmark in pathogenic beta-coronavirus spike proteins from SARS-CoV to Omicron.
Sci Adv, 8, 2022
7ZH1
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BU of 7zh1 by Molmil
SARS CoV Spike protein, Closed C3 conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, ...
著者Toelzer, C, Gupta, K, Yadav, S.K.N, Buzas, D, Borucu, U, Schaffitzel, C, Berger, I.
登録日2022-04-05
公開日2023-02-15
実験手法ELECTRON MICROSCOPY (2.48 Å)
主引用文献The free fatty acid-binding pocket is a conserved hallmark in pathogenic beta-coronavirus spike proteins from SARS-CoV to Omicron.
Sci Adv, 8, 2022
5UWV
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BU of 5uwv by Molmil
Crystal structure of Mycobacterium abscessus L,D-transpeptidase 2
分子名称: L,D-TRANSPEPTIDASE 2
著者Kumar, P, Ginell, S.L, Lamichhane, G.
登録日2017-02-21
公開日2017-08-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献Mycobacterium abscessus l,d-Transpeptidases Are Susceptible to Inactivation by Carbapenems and Cephalosporins but Not Penicillins.
Antimicrob. Agents Chemother., 61, 2017
2BWH
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BU of 2bwh by Molmil
Laue Structure of a Short Lived State of L29W Myoglobin
分子名称: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
著者Schmidt, M, Nienhaus, K, Pahl, R, Krasselt, A, Anderson, S, Parak, F, Nienhaus, G.U, Srajer, V.
登録日2005-07-14
公開日2005-07-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Ligand migration pathway and protein dynamics in myoglobin: a time-resolved crystallographic study on L29W MbCO.
Proc. Natl. Acad. Sci. U.S.A., 102, 2005
1CFP
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BU of 1cfp by Molmil
S100B (S100BETA) NMR DATA WAS COLLECTED FROM A SAMPLE OF CALCIUM FREE PROTEIN AT PH 6.3 AND A TEMPERATURE OF 311 K AND 1.7-6.9 MM CONCENTRATION, 25 STRUCTURES
分子名称: S100B
著者Kilby, P.M, Vaneldik, L.J, Roberts, G.C.K.
登録日1996-06-04
公開日1997-03-12
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献The solution structure of the bovine S100B protein dimer in the calcium-free state.
Structure, 4, 1996
1R39
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BU of 1r39 by Molmil
THE STRUCTURE OF P38ALPHA
分子名称: Mitogen-activated protein kinase 14, SULFATE ION
著者Patel, S.B, Cameron, P.M, Frantz-Wattley, B, O'Neill, E, Becker, J.W, Scapin, G.
登録日2003-10-01
公開日2004-01-20
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Lattice stabilization and enhanced diffraction in human p38 alpha crystals by protein engineering.
Biochim.Biophys.Acta, 1696, 2004
2BM7
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BU of 2bm7 by Molmil
The Structure of MfpA (Rv3361c, P3221 Crystal form). The Pentapeptide Repeat Protein from Mycobacterium tuberculosis Folds as A Right- handed Quadrilateral Beta-helix.
分子名称: PENTAPEPTIDE REPEAT FAMILY PROTEIN
著者Hegde, S.S, Vetting, M.W, Roderick, S.L, Mitchenall, L.A, Maxwell, A, Takiff, H.E, Blanchard, J.S.
登録日2005-03-09
公開日2005-06-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A Fluroquinolone Resistance Protein from Mycobacterium Tuberculosis that Mimics DNA
Science, 308, 2005
5J4Y
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BU of 5j4y by Molmil
The crystal structure of N-(4-(2-(thiazolo[5,4-c]pyridin-2-yl)phenoxy)phenyl)acetamide bound to JCV Helicase
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Large T antigen, N-{4-[2-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenoxy]phenyl}acetamide, ...
著者Ter Haar, E.
登録日2016-04-01
公開日2016-07-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Fragment-Based Discovery of Dual JC Virus and BK Virus Helicase Inhibitors.
J.Med.Chem., 59, 2016
5JGD
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BU of 5jgd by Molmil
Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 12
分子名称: N-(2-isopropoxy-3-(4-methylpiperazine-1-carbonyl)phenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide, TAK1 kinase - TAB1 chimera fusion protein
著者Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K.
登録日2016-04-20
公開日2016-07-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.101 Å)
主引用文献Discovery of a potent and highly selective transforming growth factor beta receptor-associated kinase 1 (TAK1) inhibitor by structure based drug design (SBDD)
Bioorg.Med.Chem., 24, 2016
6XQD
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Crystal structure of the Thermus thermophilus 70S ribosome in complex with sarecycline, UUC-mRNA, and deacylated P-site tRNA at 2.80A resolution
分子名称: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
著者Batool, Z, Lomakin, I.B, Bunick, C.G, Polikanov, Y.S.
登録日2020-07-09
公開日2020-08-05
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Sarecycline interferes with tRNA accommodation and tethers mRNA to the 70S ribosome.
Proc.Natl.Acad.Sci.USA, 117, 2020
5J5R
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BU of 5j5r by Molmil
M. thermoresistible GuaB2 delta-CBS in complex with inhibitor VCC234718
分子名称: INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, cyclohexyl{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}methanone
著者Pacitto, A, Ascher, D.B, Blundell, T.L.
登録日2016-04-03
公開日2016-10-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The Inosine Monophosphate Dehydrogenase, GuaB2, Is a Vulnerable New Bactericidal Drug Target for Tuberculosis.
ACS Infect Dis, 3, 2017
6XOX
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cryo-EM of human GLP-1R bound to non-peptide agonist LY3502970
分子名称: 3-[(1S,2S)-1-(5-[(4S)-2,2-dimethyloxan-4-yl]-2-{(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1H-indazol-5-yl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl}-1H-indol-1-yl)-2-methylcyclopropyl]-1,2,4-oxadiazol-5(4H)-one, Alpha subunit of Gs with N-terminus swapped with equivalent residues in Gi,Guanine nucleotide-binding protein G(s) subunit alpha isoforms XLas, Glucagon-like peptide 1 receptor, ...
著者Sun, B, Kobilka, B.K, Sloop, K.W, Feng, D, Kobilka, T.S.
登録日2020-07-07
公開日2020-11-18
最終更新日2020-12-09
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural basis for GLP-1 receptor activation by LY3502970, an orally active nonpeptide agonist.
Proc.Natl.Acad.Sci.USA, 117, 2020
1AMB
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BU of 1amb by Molmil
SOLUTION STRUCTURE OF RESIDUES 1-28 OF THE AMYLOID BETA-PEPTIDE
分子名称: AMYLOID BETA-PEPTIDE
著者Talafous, J, Marcinowski, K.J, Klopman, G, Zagorski, M.G.
登録日1994-10-21
公開日1994-12-20
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of residues 1-28 of the amyloid beta-peptide.
Biochemistry, 33, 1994
7OPX
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BU of 7opx by Molmil
CryoEM structure of human enterovirus 70 native virion
分子名称: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
著者Fuzik, T, Plevka, P, Moravcova, J.
登録日2021-06-02
公開日2022-06-22
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (2.63 Å)
主引用文献Structure of Human Enterovirus 70 and Its Inhibition by Capsid-Binding Compounds.
J.Virol., 96, 2022
6XQE
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Crystal structure of the Thermus thermophilus 70S ribosome in complex with sarecycline, UAA-mRNA, and deacylated P-site tRNA at 3.00A resolution
分子名称: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
著者Batool, Z, Lomakin, I.B, Bunick, C.G, Polikanov, Y.S.
登録日2020-07-09
公開日2020-08-05
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Sarecycline interferes with tRNA accommodation and tethers mRNA to the 70S ribosome.
Proc.Natl.Acad.Sci.USA, 117, 2020
7OVO
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BU of 7ovo by Molmil
Heterodimeric murine tRNA-guanine transglycosylase in complex with queuine
分子名称: 2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, Queuine tRNA-ribosyltransferase accessory subunit 2, ...
著者Sebastiani, M, Heine, A, Reuter, K.
登録日2021-06-15
公開日2022-06-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and Biochemical Investigation of the Heterodimeric Murine tRNA-Guanine Transglycosylase.
Acs Chem.Biol., 17, 2022
7ORP
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BU of 7orp by Molmil
crystal structure of human carbonic anhydrase II in complex with 4-((2-hydroxy-3-((3,4,5-trimethoxyphenyl)tellanyl)propyl)selanyl)benzenesulfonamide
分子名称: 4-[(2R)-2-oxidanyl-3-(3,4,5-trimethylphenyl)tellanyl-propyl]selanylbenzenesulfonamide, 4-[(2S)-2-oxidanyl-3-(3,4,5-trimethoxyphenyl)tellanyl-propyl]selanylbenzenesulfonamide, Carbonic anhydrase 2, ...
著者Angeli, A, Ferraroni, M.
登録日2021-06-06
公開日2022-06-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Chalcogenides-incorporating carbonic anhydrase inhibitors concomitantly reverted oxaliplatin-induced neuropathy and enhanced antiproliferative action.
Eur.J.Med.Chem., 225, 2021

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