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6ZAQ
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BU of 6zaq by Molmil
Room temperature XFEL Isopenicillin N synthase structure in complex with Fe and IPN after dioxygen exposure
分子名称: FE (II) ION, ISOPENICILLIN N, Isopenicillin N synthase, ...
著者Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J.
登録日2020-06-05
公開日2021-06-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
6ZAP
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Isopenicillin N synthase in complex with Fe, O2 and ACV under cryo conditions.
分子名称: FE (III) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ...
著者Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J.
登録日2020-06-05
公開日2021-06-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
6ZAF
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BU of 6zaf by Molmil
Room temperature XFEL Isopenicillin N synthase structure in complex with Fe and ACV after exposure to dioxygen for 400ms.
分子名称: FE (II) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ...
著者Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J.
登録日2020-06-05
公開日2021-06-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4001 Å)
主引用文献X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
6ZAJ
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BU of 6zaj by Molmil
Room temperature XFEL Isopenicillin N synthase structure in complex with Fe, O2 and ACV after exposure to dioxygen for 3000ms.
分子名称: FE (II) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ...
著者Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J.
登録日2020-06-05
公開日2021-06-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5301 Å)
主引用文献X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
6ZAM
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BU of 6zam by Molmil
Fluorine labeled IPNS S55C in complex with Fe and ACV under anaerobic conditions.
分子名称: 1,1,1-tris(fluoranyl)propan-2-one, 1,1,1-tris(fluoranyl)propane-2,2-diol, FE (III) ION, ...
著者Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J.
登録日2020-06-05
公開日2021-06-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
6ZW8
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BU of 6zw8 by Molmil
Isopenicillin N synthase in complex with Cd and ACV.
分子名称: CADMIUM ION, GLYCEROL, Isopenicillin N synthase, ...
著者Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J.
登録日2020-07-27
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
7E8O
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BU of 7e8o by Molmil
Crystal structure of proteinaceous RNase P(PRORP) from Planctomycetes bacterium GWF2_40_8 complexed with Escherichia coli histidine pre-tRNA
分子名称: CALCIUM ION, RNA-free ribonuclease P, histidine pre-tRNA
著者Li, Y.Y, Gan, J.H.
登録日2021-03-02
公開日2022-03-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.804 Å)
主引用文献Crystal structures and insights into precursor tRNA 5'-end processing by prokaryotic minimal protein-only RNase P.
Nat Commun, 13, 2022
7E8K
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BU of 7e8k by Molmil
Crystal structure of Proteinaceous RNase P (PRORP) from Planctomycetes bacterium GWF2_40_8
分子名称: RNA-free ribonuclease P, SULFATE ION
著者Li, Y.Y, Gan, J.H.
登録日2021-03-02
公開日2022-03-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal structures and insights into precursor tRNA 5'-end processing by prokaryotic minimal protein-only RNase P.
Nat Commun, 13, 2022
7E8J
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BU of 7e8j by Molmil
Crystal structure of Proteinaceous RNase P (PRORP) from Thermococcus celer
分子名称: RNA-free ribonuclease P
著者Li, Y.Y, Gan, J.H.
登録日2021-03-02
公開日2022-03-02
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structures and insights into precursor tRNA 5'-end processing by prokaryotic minimal protein-only RNase P.
Nat Commun, 13, 2022
8X01
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BU of 8x01 by Molmil
Structure of the Mumps Virus L Protein (state2) Bound by Phosphoprotein Tetramer
分子名称: Phosphoprotein, RNA-directed RNA polymerase L, ZINC ION
著者Li, T.H, Shen, Q.T.
登録日2023-11-02
公開日2024-06-05
実験手法ELECTRON MICROSCOPY (3.01 Å)
主引用文献Structures of the mumps virus polymerase complex via cryo-electron microscopy.
Nat Commun, 15, 2024
7D2L
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BU of 7d2l by Molmil
Crystal structure of the Cas12i1 R-loop complex before target DNA cleavage
分子名称: 12i1-D647A, CITRIC ACID, DNA (26-MER), ...
著者Zhang, B, Luo, D.Y, Li, Y, OuYang, S.Y.
登録日2020-09-16
公開日2021-05-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Mechanistic insights into the R-loop formation and cleavage in CRISPR-Cas12i1.
Nat Commun, 12, 2021
7D8C
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BU of 7d8c by Molmil
Crystal structure of the Cas12i1-crRNA binary complex
分子名称: 12i1, CITRIC ACID, RNA (3-MER), ...
著者Zhang, B, Luo, D.Y, Li, Y, OuYang, S.Y.
登録日2020-10-07
公開日2021-05-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Mechanistic insights into the R-loop formation and cleavage in CRISPR-Cas12i1.
Nat Commun, 12, 2021
7D3J
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BU of 7d3j by Molmil
Crystal structure of the Cas12i1 R-loop complex after target DNA cleavage
分子名称: 12i1-WT, CITRIC ACID, DNA (23-MER), ...
著者Zhang, B, Luo, D.Y, Li, Y, OuYang, S.Y.
登録日2020-09-19
公開日2021-05-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Mechanistic insights into the R-loop formation and cleavage in CRISPR-Cas12i1.
Nat Commun, 12, 2021
6XOG
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BU of 6xog by Molmil
Structure of SUMO1-ML786519 adduct bound to SAE
分子名称: SULFATE ION, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ...
著者Sintchak, M, Lane, W, Bump, N.
登録日2020-07-07
公開日2021-03-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer.
J.Med.Chem., 64, 2021
6XOH
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BU of 6xoh by Molmil
Structure of SUMO1-ML00789344 adduct bound to SAE
分子名称: SULFATE ION, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ...
著者Sintchak, M, Lane, W, Bump, N.
登録日2020-07-07
公開日2021-03-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.226 Å)
主引用文献Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer.
J.Med.Chem., 64, 2021
6XOI
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BU of 6xoi by Molmil
Structure of SUMO1-ML00752641 adduct bound to SAE
分子名称: SULFATE ION, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ...
著者Sintchak, M, Lane, W, Bump, N.
登録日2020-07-07
公開日2021-03-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer.
J.Med.Chem., 64, 2021
7E1V
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BU of 7e1v by Molmil
Cryo-EM structure of apo hybrid respiratory supercomplex consisting of Mycobacterium tuberculosis complexIII and Mycobacterium smegmatis complexIV
分子名称: (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, CARDIOLIPIN, ...
著者Zhou, S, Wang, W, Gao, Y, Gong, H, Rao, Z.
登録日2021-02-03
公開日2021-10-13
最終更新日2022-07-27
実験手法ELECTRON MICROSCOPY (2.68 Å)
主引用文献Structure of Mycobacterium tuberculosis cytochrome bcc in complex with Q203 and TB47, two anti-TB drug candidates.
Elife, 10, 2021
7E1X
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Cryo-EM structure of hybrid respiratory supercomplex consisting of Mycobacterium tuberculosis complexIII and Mycobacterium smegmatis complexIV in presence of TB47
分子名称: (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, 5-methoxy-2-methyl-~{N}-[[4-[4-[4-(trifluoromethyloxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide, ...
著者Zhou, S, Wang, W, Gao, Y, Gong, H, Rao, Z.
登録日2021-02-03
公開日2021-10-27
最終更新日2022-07-27
実験手法ELECTRON MICROSCOPY (2.93 Å)
主引用文献Structure of Mycobacterium tuberculosis cytochrome bcc in complex with Q203 and TB47, two anti-TB drug candidates.
Elife, 10, 2021
7E1W
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BU of 7e1w by Molmil
Cryo-EM structure of hybrid respiratory supercomplex consisting of Mycobacterium tuberculosis complexIII and Mycobacterium smegmatis complexIV in the presence of Q203
分子名称: (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, 6-chloranyl-2-ethyl-N-[[4-[4-[4-(trifluoromethyloxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide, ...
著者Zhou, S, Wang, W, Gao, Y, Gong, H, Rao, Z.
登録日2021-02-03
公開日2021-10-27
最終更新日2022-07-27
実験手法ELECTRON MICROSCOPY (2.67 Å)
主引用文献Structure of Mycobacterium tuberculosis cytochrome bcc in complex with Q203 and TB47, two anti-TB drug candidates.
Elife, 10, 2021
7EU9
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BU of 7eu9 by Molmil
Crystal structure of the selenomethionine(SeMet)-derived Cas12i1 R-loop complex before target DNA cleavage
分子名称: CITRIC ACID, Cas12i1 D647A mutant, DNA (24-MER), ...
著者Zhang, B, Luo, D.Y, Li, Y, OuYang, S.Y.
登録日2021-05-16
公開日2021-05-26
最終更新日2021-06-23
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Mechanistic insights into the R-loop formation and cleavage in CRISPR-Cas12i1.
Nat Commun, 12, 2021
3UIZ
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BU of 3uiz by Molmil
Crystal structure of SefD_dscA in D2O
分子名称: Chimera protein of SefD and SefA
著者Garnett, J.A, Wei-chao, L, Liu, B, Matthews, S.J.
登録日2011-11-07
公開日2012-05-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Promoting crystallisation of the Salmonella enteritidis fimbriae 14 pilin SefD using deuterium oxide.
Biochem.Biophys.Res.Commun., 421, 2012
3VH8
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BU of 3vh8 by Molmil
KIR3DL1 in complex with HLA-B*5701
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
著者Vivian, J.P, Rossjohn, J.
登録日2011-08-24
公開日2011-10-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Killer cell immunoglobulin-like receptor 3DL1-mediated recognition of human leukocyte antigen B
Nature, 479, 2011
1O66
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BU of 1o66 by Molmil
Crystal structure of 3-methyl-2-oxobutanoate hydroxymethyltransferase
分子名称: 3-methyl-2-oxobutanoate hydroxymethyltransferase, GLYCEROL
著者Structural GenomiX
登録日2003-10-23
公開日2003-11-11
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005
1O64
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BU of 1o64 by Molmil
Crystal structure of an ATP phosphoribosyltransferase
分子名称: ATP phosphoribosyltransferase, PHOSPHATE ION
著者Structural GenomiX
登録日2003-10-23
公開日2003-11-11
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005
1O60
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BU of 1o60 by Molmil
Crystal structure of KDO-8-phosphate synthase
分子名称: 2-dehydro-3-deoxyphosphooctonate aldolase
著者Structural GenomiX
登録日2003-10-23
公開日2003-11-11
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005

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