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4ZX4
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BU of 4zx4 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 10o
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
著者Drinkwater, N, McGowan, S.
登録日2015-05-20
公開日2016-03-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
2WF6
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BU of 2wf6 by Molmil
Structure of Beta-Phosphoglucomutase inhibited with Glucose-6-phosphate and Aluminium tetrafluoride
分子名称: 6-O-phosphono-beta-D-glucopyranose, BETA-PHOSPHOGLUCOMUTASE, MAGNESIUM ION, ...
著者Bowler, M.W, Baxter, N.J, Webster, C.E, Pollard, S, Alizadeh, T, Hounslow, A.M, Cliff, M.J, Bermel, W, Williams, N.H, Hollfelder, F, Blackburn, G.M, Waltho, J.P.
登録日2009-04-03
公開日2010-05-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Atomic details of near-transition state conformers for enzyme phosphoryl transfer revealed by MgF-3 rather than by phosphoranes.
Proc. Natl. Acad. Sci. U.S.A., 107, 2010
6TRU
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BU of 6tru by Molmil
Crystal structure of the N-terminal half of the TFIIH subunit p52
分子名称: RNA polymerase II transcription factor B subunit 2
著者Koelmel, W, Kuper, J, Schoenwetter, E, Kisker, C.
登録日2019-12-19
公開日2020-10-21
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献How to limit the speed of a motor: the intricate regulation of the XPB ATPase and translocase in TFIIH.
Nucleic Acids Res., 48, 2020
6TTX
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BU of 6ttx by Molmil
Crystal structure of the human METTL3-METTL14 complex bound to Compound 5 (ASI_M3M_051)
分子名称: (2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{N}-(piperidin-4-ylmethyl)oxolane-2-carboxamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
登録日2019-12-30
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Small-Molecule Inhibitors of METTL3, the Major Human Epitranscriptomic Writer.
Chemmedchem, 15, 2020
2O4Q
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BU of 2o4q by Molmil
Structure of Phosphotriesterase mutant G60A
分子名称: CACODYLATE ION, Parathion hydrolase, ZINC ION
著者Kim, J, Ramagopal, U.A, Tsai, P.C, Raushel, F.M, Almo, S.C.
登録日2006-12-04
公開日2007-12-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure of diethyl phosphate bound to the binuclear metal center of phosphotriesterase.
Biochemistry, 47, 2008
2JJ4
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BU of 2jj4 by Molmil
The complex of PII and acetylglutamate kinase from Synechococcus elongatus PCC7942
分子名称: ACETYLGLUTAMATE KINASE, N-ACETYL-L-GLUTAMATE, NITROGEN REGULATORY PROTEIN P-II
著者Llacer, J.L, Marco-Marin, C, Gil-Ortiz, F, Fita, I, Rubio, V.
登録日2007-07-04
公開日2007-10-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.46 Å)
主引用文献The Crystal Structure of the Complex of Pii and Acetylglutamate Kinase Reveals How Pii Controls the Storage of Nitrogen as Arginine
Proc.Natl.Acad.Sci.USA, 104, 2007
6TTP
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BU of 6ttp by Molmil
Crystal structure of the human METTL3-METTL14 complex bound to Compound 1/Adenosine (DHU_M3M_023)
分子名称: ACETATE ION, ADENOSINE, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
登録日2019-12-30
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Small-Molecule Inhibitors of METTL3, the Major Human Epitranscriptomic Writer.
Chemmedchem, 15, 2020
4ZST
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BU of 4zst by Molmil
Crystal structure of Brevundimonas diminuta phosphotriesterase mutant L7eP-3a
分子名称: COBALT (II) ION, Parathion hydrolase
著者Mabanglo, M.F, Raushel, F.M.
登録日2015-05-13
公開日2015-09-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.011 Å)
主引用文献Variants of Phosphotriesterase for the Enhanced Detoxification of the Chemical Warfare Agent VR.
Biochemistry, 54, 2015
2WF5
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BU of 2wf5 by Molmil
Structure of Beta-Phosphoglucomutase inhibited with Glucose-6-phosphate and trifluoromagnesate
分子名称: 6-O-phosphono-beta-D-glucopyranose, BETA-PHOSPHOGLUCOMUTASE, MAGNESIUM ION, ...
著者Bowler, M.W, Baxter, N.J, Webster, C.E, Hounslow, A.M, Cliff, M.J, Williams, N.H, Hollfelder, F, Gamblin, S, Blackburn, G.M, Waltho, J.P.
登録日2009-04-03
公開日2009-09-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Atomic details of near-transition state conformers for enzyme phosphoryl transfer revealed by MgF-3 rather than by phosphoranes.
Proc. Natl. Acad. Sci. U.S.A., 107, 2010
4ZVV
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BU of 4zvv by Molmil
Lactate dehydrogenase A in complex with a trisubstituted piperidine-2,4-dione inhibitor GNE-140
分子名称: (2~{R})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one, L-lactate dehydrogenase A chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Li, Y, Chen, Z, Eigenbrot, C.
登録日2015-05-18
公開日2016-05-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Metabolic plasticity underpins innate and acquired resistance to LDHA inhibition.
Nat.Chem.Biol., 12, 2016
6I2M
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BU of 6i2m by Molmil
Crystal structure of vaccinia virus protein A55 BTB-Back domain in complex with human Cullin-3 N-terminus
分子名称: Cullin-3, Kelch repeat and BTB domain-containing protein A55
著者Gao, G, Graham, S.C.
登録日2018-11-01
公開日2019-01-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular basis of cullin-3 (Cul3) ubiquitin ligase subversion by vaccinia virus protein A55.
J.Biol.Chem., 294, 2019
6TRQ
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BU of 6trq by Molmil
S.c. Scavenger Decapping Enzyme DcpS in complex with the capped RNA dinucleotide m7G-GU
分子名称: 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, L-GUANOSINE-5'-MONOPHOSPHATE, PHOSPHONATE, ...
著者Fuchs, A.-L, Neu, A, Sprangers, R.
登録日2019-12-19
公開日2020-07-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.944 Å)
主引用文献Molecular basis of the selective processing of short mRNA substrates by the DcpS mRNA decapping enzyme.
Proc.Natl.Acad.Sci.USA, 117, 2020
6TSH
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BU of 6tsh by Molmil
Beta-galactosidase in complex with deoxygalacto-nojirimycin
分子名称: (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol, Beta-galactosidase, MAGNESIUM ION
著者Saur, M, Hartshorn, M.J, Dong, J, Reeks, J, Bunkoczi, G, Jhoti, H, Williams, P.A.
登録日2019-12-20
公開日2020-01-08
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献Fragment-based drug discovery using cryo-EM.
Drug Discov Today, 25, 2020
3B9L
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BU of 3b9l by Molmil
Human serum albumin complexed with myristate and AZT
分子名称: 3'-azido-3'-deoxythymidine, MYRISTIC ACID, Serum albumin
著者Zhu, L, Yang, F, Chen, L, Meehan, E.J, Huang, M.
登録日2007-11-05
公開日2008-05-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A new drug binding subsite on human serum albumin and drug-drug interaction studied by X-ray crystallography
J.Struct.Biol., 162, 2008
4ZWJ
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BU of 4zwj by Molmil
Crystal structure of rhodopsin bound to arrestin by femtosecond X-ray laser
分子名称: Chimera protein of human Rhodopsin, mouse S-arrestin, and T4 Endolysin
著者Kang, Y, Zhou, X.E, Gao, X, He, Y, Liu, W, Ishchenko, A, Barty, A, White, T.A, Yefanov, O, Han, G.W, Xu, Q, de Waal, P.W, Ke, J, Tan, M.H.E, Zhang, C, Moeller, A, West, G.M, Pascal, B, Eps, N.V, Caro, L.N, Vishnivetskiy, S.A, Lee, R.J, Suino-Powell, K.M, Gu, X, Pal, K, Ma, J, Zhi, X, Boutet, S, Williams, G.J, Messerschmidt, M, Gati, C, Zatsepin, N.A, Wang, D, James, D, Basu, S, Roy-Chowdhury, S, Conrad, C, Coe, J, Liu, H, Lisova, S, Kupitz, C, Grotjohann, I, Fromme, R, Jiang, Y, Tan, M, Yang, H, Li, J, Wang, M, Zheng, Z, Li, D, Howe, N, Zhao, Y, Standfuss, J, Diederichs, K, Dong, Y, Potter, C.S, Carragher, B, Caffrey, M, Jiang, H, Chapman, H.N, Spence, J.C.H, Fromme, P, Weierstall, U, Ernst, O.P, Katritch, V, Gurevich, V.V, Griffin, P.R, Hubbell, W.L, Stevens, R.C, Cherezov, V, Melcher, K, Xu, H.E, GPCR Network (GPCR)
登録日2015-05-19
公開日2015-07-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.302 Å)
主引用文献Crystal structure of rhodopsin bound to arrestin by femtosecond X-ray laser.
Nature, 523, 2015
4ZXN
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BU of 4zxn by Molmil
Crystal structure of rat coronavirus strain New-Jersey Hemagglutinin-Esterase
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, HE protein, SODIUM ION, ...
著者Bakkers, M.J.G, Feitsma, L.J, Huizinga, E.G, de Groot, R.J.
登録日2015-05-20
公開日2016-05-11
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of murine coronavirus hemagglutinin-esterases reveal structural basis for esterase substrate specificity
To Be Published
6TR8
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BU of 6tr8 by Molmil
Corynebacterium diphtheriae methionine sulfoxide reductase B (MsrB) solution structure - reduced form
分子名称: Peptide-methionine (R)-S-oxide reductase, ZINC ION
著者Volkov, A.N, Tossounian, M.A, Buts, L, Messens, J.
登録日2019-12-18
公開日2020-02-05
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Methionine sulfoxide reductase B fromCorynebacterium diphtheriaecatalyzes sulfoxide reduction via an intramolecular disulfide cascade.
J.Biol.Chem., 295, 2020
2WBP
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BU of 2wbp by Molmil
Crystal structure of VioC in complex with Fe(II), (2S,3S)- hydroxyarginine, and succinate
分子名称: (2S,3S)-3-HYDROXYARGININE, ARGININE, FE (II) ION, ...
著者Helmetag, V, Samel, S.A, Thomas, M.G, Marahiel, M.A, Essen, L.-O.
登録日2009-03-02
公開日2009-06-23
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Structural Basis for the Erythro-Stereospecificity of the L-Arginine Oxygenase Vioc in Viomycin Biosynthesis.
FEBS J., 276, 2009
2OE7
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BU of 2oe7 by Molmil
High-Pressure T4 Lysozyme
分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, Lysozyme
著者Collins, M.D, Quillin, M.L, Matthews, B.W, Gruner, S.M.
登録日2006-12-28
公開日2007-01-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Rigidity of a Large Cavity-containing Protein Revealed by High-pressure Crystallography.
J.Mol.Biol., 367, 2007
2OES
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BU of 2oes by Molmil
MSrecA-native-SSB
分子名称: PHOSPHATE ION, Protein recA
著者Krishna, R, Rajan Prabu, J, Manjunath, G.P, Datta, S, Chandra, N.R, Muniyappa, K, Vijayan, M.
登録日2007-01-01
公開日2007-06-19
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Snapshots of RecA protein involving movement of the C-domain and different conformations of the DNA-binding loops: crystallographic and comparative analysis of 11 structures of Mycobacterium smegmatis RecA
J.Mol.Biol., 367, 2007
6TU1
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BU of 6tu1 by Molmil
Crystal structure of the human METTL3-METTL14 complex bound to Compound 8 (ASI_M3M_091)
分子名称: (2~{R},3~{R},4~{R},5~{R})-2-[(6-aminopurin-9-yl)methyl]-5-azanyl-oxane-3,4-diol, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
登録日2019-12-31
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Small-Molecule Inhibitors of METTL3, the Major Human Epitranscriptomic Writer.
Chemmedchem, 15, 2020
6IP6
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BU of 6ip6 by Molmil
Cryo-EM structure of the CMV-stalled human 80S ribosome with HCV IRES (Structure iii)
分子名称: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ...
著者Yokoyama, T, Shigematsu, H, Shirouzu, M, Imataka, H, Ito, T.
登録日2018-11-02
公開日2019-05-29
最終更新日2019-11-06
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献HCV IRES Captures an Actively Translating 80S Ribosome.
Mol.Cell, 74, 2019
2WBQ
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BU of 2wbq by Molmil
Crystal structure of VioC in complex with (2S,3S)-hydroxyarginine
分子名称: (2S,3S)-3-HYDROXYARGININE, ACETATE ION, L-ARGININE BETA-HYDROXYLASE
著者Helmetag, V, Samel, S.A, Thomas, M.G, Marahiel, M.A, Essen, L.-O.
登録日2009-03-02
公開日2009-06-23
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structural Basis for the Erythro-Stereospecificity of the L-Arginine Oxygenase Vioc in Viomycin Biosynthesis.
FEBS J., 276, 2009
2OFK
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BU of 2ofk by Molmil
Crystal Structure of 3-methyladenine DNA glycosylase I (TAG)
分子名称: 3-methyladenine DNA glycosylase I, constitutive, TRIETHYLENE GLYCOL, ...
著者Metz, A.H, Hollis, T, Eichman, B.F.
登録日2007-01-03
公開日2007-05-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献DNA damage recognition and repair by 3-methyladenine DNA glycosylase I (TAG).
Embo J., 26, 2007
4ZZ7
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BU of 4zz7 by Molmil
Crystal structure of methylmalonate-semialdehyde dehydrogenase (DddC) from Oceanimonas doudoroffii
分子名称: Methylmalonate-semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Do, H, Lee, C.W, Lee, S.G, Kang, H, Park, C.M, Kim, H.J, Park, H, Park, H, Lee, J.H.
登録日2015-05-22
公開日2016-04-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure and modeling of the tetrahedral intermediate state of methylmalonate-semialdehyde dehydrogenase (MMSDH) from Oceanimonas doudoroffii.
J. Microbiol., 54, 2016

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