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8BAT
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BU of 8bat by Molmil
Geobacter lovleyi NADAR
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Geobacter lovleyi NADAR
著者Schuller, M, Ariza, A.
登録日2022-10-11
公開日2023-07-12
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular basis for the reversible ADP-ribosylation of guanosine bases.
Mol.Cell, 83, 2023
8BAQ
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BU of 8baq by Molmil
E. coli C7 DarT1 in complex with NAD+
分子名称: 1,2-ETHANEDIOL, DarT ssDNA thymidine ADP-ribosyltransferase family protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Schuller, M, Ariza, A.
登録日2022-10-11
公開日2023-07-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular basis for the reversible ADP-ribosylation of guanosine bases.
Mol.Cell, 83, 2023
8BAU
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BU of 8bau by Molmil
Phytophthora nicotianae var. parasitica NADAR in complex with ADP-ribose
分子名称: 1,2-ETHANEDIOL, NADAR domain-containing protein, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
著者Schuller, M, Ariza, A.
登録日2022-10-11
公開日2023-07-12
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Molecular basis for the reversible ADP-ribosylation of guanosine bases.
Mol.Cell, 83, 2023
8BNV
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BU of 8bnv by Molmil
Crystal structure of Pif1 from Deferribacter desulfuricans in apo from
分子名称: AAA family ATPase, GLYCEROL, MAGNESIUM ION
著者Rety, S, Chen, W.F, Xi, X.G.
登録日2022-11-14
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Structural Studies of Pif1 Helicases from Thermophilic Bacteria.
Microorganisms, 11, 2023
8BNX
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BU of 8bnx by Molmil
Crystal structure of Pif1 from Deferribacter desulfuricans in complex with AMPPNP
分子名称: AAA family ATPase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Rety, S, Chen, W.F, Xi, X.G.
登録日2022-11-14
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.12 Å)
主引用文献Structural Studies of Pif1 Helicases from Thermophilic Bacteria.
Microorganisms, 11, 2023
5UHF
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BU of 5uhf by Molmil
Crystal structure of Mycobacterium tuberculosis transcription initiation complex in complex with D-IX336
分子名称: DNA (5'-D(*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*CP*AP*GP*G)-3'), DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase subunit alpha, ...
著者Lin, W, Das, K, Feng, Y, Ebright, R.H.
登録日2017-01-11
公開日2017-04-12
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (4.345 Å)
主引用文献Structural Basis of Mycobacterium tuberculosis Transcription and Transcription Inhibition.
Mol. Cell, 66, 2017
3JCT
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BU of 3jct by Molmil
Cryo-em structure of eukaryotic pre-60S ribosomal subunits
分子名称: 60S ribosomal protein L11-A, 60S ribosomal protein L13-A, 60S ribosomal protein L14-A, ...
著者Wu, S, Kumcuoglu, B, Yan, K.G, Brown, H, Zhang, Y.X, Tan, D, Gamalinda, M, Yuan, Y, Li, Z.F, Jakovljevic, J, Ma, C.Y, Lei, J.L, Dong, M.Q, Woolford Jr, J.L, Gao, N.
登録日2016-03-09
公開日2016-06-01
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.08 Å)
主引用文献Diverse roles of assembly factors revealed by structures of late nuclear pre-60S ribosomes
Nature, 534, 2016
6QSW
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BU of 6qsw by Molmil
Complement factor B protease domain in complex with the reversible inhibitor N-(2-bromo-4-methylnaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine.
分子名称: Complement factor B, SULFATE ION, ~{N}-(2-bromanyl-4-methyl-naphthalen-1-yl)-4,5-dihydro-1~{H}-imidazol-2-amine
著者Adams, C.M, Sellner, H, Ehara, T, Mac Sweeney, A, Crowley, M, Anderson, K, Karki, R, Mainolfi, N, Valeur, E, Sirockin, F, Gerhartz, B, Erbel, P, Hughes, N, Smith, T.M, Cumin, F, Argikar, U, Mogi, M, Sedrani, R, Wiesmann, C, Jaffee, B, Maibaum, J, Flohr, S, Harrison, R, Eder, J.
登録日2019-02-22
公開日2019-03-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Small-molecule factor B inhibitor for the treatment of complement-mediated diseases.
Proc.Natl.Acad.Sci.USA, 116, 2019
6QSX
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BU of 6qsx by Molmil
Complement factor B protease domain in complex with the reversible inhibitor ((2S,4S)-1-((5,7-dimethyl-1H-indol-4-yl)methyl)-4-methoxypiperidin-2-yl)methanol.
分子名称: Complement factor B, SULFATE ION, ZINC ION, ...
著者Adams, C.M, Sellner, H, Ehara, T, Mac Sweeney, A, Crowley, M, Anderson, K, Karki, R, Mainolfi, N, Valeur, E, Sirockin, F, Gerhartz, B, Erbel, P, Hughes, N, Smith, T.M, Cumin, F, Argikar, U, Mogi, M, Sedrani, R, Wiesmann, C, Jaffee, B, Maibaum, J, Flohr, S, Harrison, R, Eder, J.
登録日2019-02-22
公開日2019-03-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Small-molecule factor B inhibitor for the treatment of complement-mediated diseases.
Proc.Natl.Acad.Sci.USA, 116, 2019
7MTD
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BU of 7mtd by Molmil
Structure of aged SARS-CoV-2 S2P spike at pH 7.4
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, Spike glycoprotein
著者Tsybovsky, Y, Olia, A.S, Kwong, P.D.
登録日2021-05-13
公開日2021-09-15
最終更新日2021-10-13
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献SARS-CoV-2 S2P spike ages through distinct states with altered immunogenicity.
J.Biol.Chem., 297, 2021
7MTC
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BU of 7mtc by Molmil
Structure of freshly purified SARS-CoV-2 S2P spike at pH 7.4
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, Spike glycoprotein
著者Tsybovsky, Y, Olia, A.S, Kwong, P.D.
登録日2021-05-13
公開日2021-09-15
最終更新日2021-10-13
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献SARS-CoV-2 S2P spike ages through distinct states with altered immunogenicity.
J.Biol.Chem., 297, 2021
5UHB
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BU of 5uhb by Molmil
Crystal structure of Mycobacterium tuberculosis transcription initiation complex in complex with Rifampin
分子名称: DNA (5'-D(*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*G)-3'), DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase subunit alpha, ...
著者Lin, W, Das, K, Feng, Y, Ebright, R.H.
登録日2017-01-11
公開日2017-04-12
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (4.29 Å)
主引用文献Structural Basis of Mycobacterium tuberculosis Transcription and Transcription Inhibition.
Mol. Cell, 66, 2017
7MTE
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BU of 7mte by Molmil
Structure of SARS-CoV-2 S2P spike at pH 7.4 refolded by low-pH treatment
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, Spike glycoprotein
著者Tsybovsky, Y, Olia, A.S, Kwong, P.D.
登録日2021-05-13
公開日2021-09-15
最終更新日2021-10-13
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献SARS-CoV-2 S2P spike ages through distinct states with altered immunogenicity.
J.Biol.Chem., 297, 2021
4FFW
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BU of 4ffw by Molmil
Crystal Structure of Dipeptidyl Peptidase IV (DPP4, DPP-IV, CD26) in Complex with Fab + sitagliptin
分子名称: (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-A MINE, Dipeptidyl peptidase 4, Fab heavy chain, ...
著者Wang, Z, Sudom, A, Walker, N.P, Min, X.
登録日2012-06-01
公開日2012-12-12
最終更新日2021-05-19
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献An Inhibitory Antibody Against DPP IV Improves Glucose Tolerance in vivo - Validation of Large Molecule Approach for DPP IV Inhibition
To be published
4FFV
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BU of 4ffv by Molmil
Crystal Structure of Dipeptidyl Peptidase IV (DPP4, DPP-IV, CD26) in Complex with 11A19 Fab
分子名称: 11A19 Fab heavy chain, 11A19 Fab light chain, Dipeptidyl peptidase 4
著者Wang, Z, Sudom, A, Walker, N.P, Min, X.
登録日2012-06-01
公開日2012-12-12
最終更新日2021-05-19
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献An Inhibitory Antibody Against DPP IV Improves Glucose Tolerance in vivo - Validation of Large Molecule Approach for DPP IV Inhibition
To be published
2EWG
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BU of 2ewg by Molmil
T. brucei Farnesyl Diphosphate Synthase Complexed with Minodronate
分子名称: (1-HYDROXY-2-IMIDAZO[1,2-A]PYRIDIN-3-YLETHANE-1,1-DIYL)BIS(PHOSPHONIC ACID), MAGNESIUM ION, S-1,2-PROPANEDIOL, ...
著者Cao, R, Mao, J, Gao, Y, Robinson, H, Odeh, S, Goddard, A, Oldfield, E.
登録日2005-11-03
公開日2006-10-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Solid-state NMR, crystallographic, and computational investigation of bisphosphonates and farnesyl diphosphate synthase-bisphosphonate complexes.
J.Am.Chem.Soc., 128, 2006
8XIF
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BU of 8xif by Molmil
The crystal structure of the AEP domain of VACV D5
分子名称: MAGNESIUM ION, PYROPHOSPHATE, Uncoating factor OPG117
著者Gan, J, Zhang, W.
登録日2023-12-19
公開日2024-05-01
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Structural and functional insights into the helicase protein E5 of Mpox virus.
Cell Discov, 10, 2024
8TQG
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BU of 8tqg by Molmil
Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20419
分子名称: N-benzyl-2-{4-[4-(4,5-dimethoxy-1H-indole-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl}-6-methylpyrimidine-4-carboxamide, Polyketide synthase Pks13, SULFATE ION
著者Krieger, I.V, Sacchettini, J.C.
登録日2023-08-07
公開日2024-04-24
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Inhibitors of the Thioesterase Activity of Mycobacterium tuberculosis Pks13 Discovered Using DNA-Encoded Chemical Library Screening.
Acs Infect Dis., 10, 2024
8TRY
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BU of 8try by Molmil
Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20348
分子名称: N-{(2S,3S)-4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-3-hydroxy-1-phenylbutan-2-yl}-4-(2-methylbutan-2-yl)benzene-1-sulfonamide, Polyketide synthase Pks13, SULFATE ION
著者Krieger, I.V, Sacchettini, J.C.
登録日2023-08-10
公開日2024-04-24
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Inhibitors of the Thioesterase Activity of Mycobacterium tuberculosis Pks13 Discovered Using DNA-Encoded Chemical Library Screening.
Acs Infect Dis., 10, 2024
8TQV
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BU of 8tqv by Molmil
Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20403
分子名称: 4-(2-{(4M)-4-[(6M)-6-(2,5-dimethoxyphenyl)pyridin-3-yl]-1H-1,2,3-triazol-1-yl}ethyl)-N-{[1-(methoxymethyl)cyclopropyl]methyl}-N-methylbenzamide, Polyketide synthase Pks13, SULFATE ION
著者Krieger, I.V, Sacchettini, J.C.
登録日2023-08-08
公開日2024-04-24
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Inhibitors of the Thioesterase Activity of Mycobacterium tuberculosis Pks13 Discovered Using DNA-Encoded Chemical Library Screening.
Acs Infect Dis., 10, 2024
8W6V
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BU of 8w6v by Molmil
Structural basis of chorismate isomerization by Arabidopsis isochorismate synthase ICS1
分子名称: ACETATE ION, FORMIC ACID, Isochorismate synthase 1, ...
著者Su, Z.H, Ming, Z.H.
登録日2023-08-29
公開日2024-05-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis of chorismate isomerization by Arabidopsis ISOCHORISMATE SYNTHASE1.
Plant Physiol., 2024
8XIG
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BU of 8xig by Molmil
The crystal structure of the AEP domain of MPXV E5
分子名称: MAGNESIUM ION, PYROPHOSPHATE, Uncoating factor OPG117
著者Gan, J, Zhang, W.
登録日2023-12-19
公開日2024-05-01
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural and functional insights into the helicase protein E5 of Mpox virus.
Cell Discov, 10, 2024
6M6A
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BU of 6m6a by Molmil
Cryo-EM structure of Thermus thermophilus Mfd in complex with RNA polymerase
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Shi, J, Wen, A, Feng, Y.
登録日2020-03-14
公開日2020-10-14
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (5 Å)
主引用文献Structural basis of Mfd-dependent transcription termination.
Nucleic Acids Res., 48, 2020
8Y0F
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BU of 8y0f by Molmil
Solution NMR structure of the PTK7-binding DNA aptamer sgc8c
分子名称: DNA
著者He, A, Wan, L, Guo, P, Han, D.
登録日2024-01-22
公開日2024-06-26
実験手法SOLUTION NMR
主引用文献Structure-based investigation of a DNA aptamer targeting PTK7 reveals an intricate 3D fold guiding functional optimization
Proc.Natl.Acad.Sci.USA, 2024
8W71
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BU of 8w71 by Molmil
Structural basis of chorismate isomerization by Arabidopsis isochorismate synthase ICS1
分子名称: (3R,4R)-3-[(1-carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid, FORMIC ACID, Isochorismate synthase 1, ...
著者Su, Z.H, Ming, Z.H.
登録日2023-08-30
公開日2024-05-22
実験手法X-RAY DIFFRACTION (2.121 Å)
主引用文献Structural basis of chorismate isomerization by Arabidopsis ISOCHORISMATE SYNTHASE1.
Plant Physiol., 2024

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