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5MVC
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BU of 5mvc by Molmil
Crystal structure of potent human Dihydroorotate Dehydrogenase inhibitors based on hydroxylated azole scaffolds
分子名称: 4-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]-1,2,5-thiadiazole-3-carboxamide, ACETATE ION, CHLORIDE ION, ...
著者Goyal, P, Andersson, M, Moritzer, A.C, Sainas, S, Pippione, A.C, Boschi, D, Al-Kadaraghi, S, Lolli, M, Friemann, R.
登録日2017-01-16
公開日2017-03-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Design, synthesis, biological evaluation and X-ray structural studies of potent human dihydroorotate dehydrogenase inhibitors based on hydroxylated azole scaffolds.
Eur J Med Chem, 129, 2017
5GOE
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BU of 5goe by Molmil
Truncated mitofusin-1, GDP-bound
分子名称: GUANOSINE-5'-DIPHOSPHATE, Mitofusin-1
著者Cao, Y.L, Gao, S.
登録日2016-07-26
公開日2017-01-25
最終更新日2017-03-08
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献MFN1 structures reveal nucleotide-triggered dimerization critical for mitochondrial fusion
Nature, 542, 2017
5GO4
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BU of 5go4 by Molmil
Truncated mitofusin-1, nucleotide-free
分子名称: Mitofusin-1
著者Cao, Y.L, Gao, S.
登録日2016-07-26
公開日2017-01-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.202 Å)
主引用文献MFN1 structures reveal nucleotide-triggered dimerization critical for mitochondrial fusion
Nature, 542, 2017
5GOF
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BU of 5gof by Molmil
Truncated mitofusin-1, GTP-bound
分子名称: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Mitofusin-1, ...
著者Cao, Y.L, Gao, S.
登録日2016-07-26
公開日2017-01-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.604 Å)
主引用文献MFN1 structures reveal nucleotide-triggered dimerization critical for mitochondrial fusion
Nature, 542, 2017
6B6W
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BU of 6b6w by Molmil
Crystal structure of Desulfovibrio vulgaris carbon monoxide dehydrogenase, as-isolated (protein batch 2), oxidized C-cluster
分子名称: CHLORIDE ION, Carbon monoxide dehydrogenase, FE(4)-NI(1)-S(4) CLUSTER, ...
著者Wittenborn, E.C, Drennan, C.L.
登録日2017-10-03
公開日2018-10-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Redox-dependent rearrangements of the NiFeS cluster of carbon monoxide dehydrogenase.
Elife, 7, 2018
6B6V
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BU of 6b6v by Molmil
Crystal structure of Desulfovibrio vulgaris carbon monoxide dehydrogenase, as-isolated (protein batch 1), canonical C-cluster
分子名称: Carbon monoxide dehydrogenase, FE(4)-NI(1)-S(4) CLUSTER, FE2/S2 (INORGANIC) CLUSTER, ...
著者Wittenborn, E.C, Drennan, C.L.
登録日2017-10-03
公開日2018-10-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Redox-dependent rearrangements of the NiFeS cluster of carbon monoxide dehydrogenase.
Elife, 7, 2018
6B6Y
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BU of 6b6y by Molmil
Crystal structure of Desulfovibrio vulgaris carbon monoxide dehydrogenase, dithionite-reduced then oxygen-exposed (protein batch 2), oxidized C-cluster
分子名称: Carbon monoxide dehydrogenase, FE2/S2 (INORGANIC) CLUSTER, Fe(4)-Ni(1)-S(4) cluster, ...
著者Wittenborn, E.C, Drennan, C.L.
登録日2017-10-03
公開日2018-10-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Redox-dependent rearrangements of the NiFeS cluster of carbon monoxide dehydrogenase.
Elife, 7, 2018
6D03
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BU of 6d03 by Molmil
Cryo-EM structure of a Plasmodium vivax invasion complex essential for entry into human reticulocytes; one molecule of parasite ligand.
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(2-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Gruszczyk, J, Huang, R.K, Hong, C, Yu, Z, Tham, W.H.
登録日2018-04-10
公開日2018-06-20
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.68 Å)
主引用文献Cryo-EM structure of an essential Plasmodium vivax invasion complex.
Nature, 559, 2018
6BPA
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BU of 6bpa by Molmil
Plasmodium vivax reticulocyte binding protein 2b (PvRBP2b) bound to monoclonal antibody 3E9
分子名称: BROMIDE ION, Monoclonal antibody 3E9 Fab heavy chain, Monoclonal antibody 3E9 Fab light chain, ...
著者Gruszczyk, J, Chan, L.J, Tham, W.H.
登録日2017-11-22
公開日2018-06-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Cryo-EM structure of an essential Plasmodium vivax invasion complex.
Nature, 559, 2018
6B6X
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BU of 6b6x by Molmil
Crystal structure of Desulfovibrio vulgaris carbon monoxide dehydrogenase, dithionite-reduced (protein batch 2), canonical C-cluster
分子名称: CHLORIDE ION, Carbon monoxide dehydrogenase, FE(4)-NI(1)-S(4) CLUSTER, ...
著者Wittenborn, E.C, Drennan, C.L.
登録日2017-10-03
公開日2018-10-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Redox-dependent rearrangements of the NiFeS cluster of carbon monoxide dehydrogenase.
Elife, 7, 2018
6BPC
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BU of 6bpc by Molmil
Plasmodium vivax reticulocyte binding protein 2b (PvRBP2b) bound to monoclonal antibody 4F7
分子名称: Monoclonal antibody 4F7 Fab heavy chain, Monoclonal antibody 4F7 Fab light chain, Reticulocyte binding protein 2, ...
著者Gruszczyk, J, Chan, L.J, Tham, W.H.
登録日2017-11-22
公開日2018-06-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Cryo-EM structure of an essential Plasmodium vivax invasion complex.
Nature, 559, 2018
6BPB
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BU of 6bpb by Molmil
Plasmodium vivax invasion blocking monoclonal antibody 4F7
分子名称: Monoclonal antibody 4F7 Fab heavy chain, Monoclonal antibody 4F7 Fab light chain
著者Gruszczyk, J, Chan, L.J, Tham, W.H.
登録日2017-11-22
公開日2018-06-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Cryo-EM structure of an essential Plasmodium vivax invasion complex.
Nature, 559, 2018
6BPE
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BU of 6bpe by Molmil
Plasmodium vivax reticulocyte binding protein 2b (PvRBP2b) bound to monoclonal antibody 6H1
分子名称: Monoclonal antibody 6H1 Fab heavy chain, Monoclonal antibody 6H1 Fab light chain, Reticulocyte binding protein 2, ...
著者Gruszczyk, J, Chan, L.J, Tham, W.H.
登録日2017-11-22
公開日2018-06-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.34 Å)
主引用文献Cryo-EM structure of an essential Plasmodium vivax invasion complex.
Nature, 559, 2018
6D04
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BU of 6d04 by Molmil
Cryo-EM structure of a Plasmodium vivax invasion complex essential for entry into human reticulocytes; two molecules of parasite ligand, subclass 1.
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, CALCIUM ION, ...
著者Gruszczyk, J, Huang, R.K, Hong, C, Yu, Z, Tham, W.H.
登録日2018-04-10
公開日2018-06-20
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.74 Å)
主引用文献Cryo-EM structure of an essential Plasmodium vivax invasion complex.
Nature, 559, 2018
6BPD
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BU of 6bpd by Molmil
Plasmodium vivax invasion blocking monoclonal antibody 10B12
分子名称: Monoclonal antibody 10B12 Fab heavy chain, Monoclonal antibody 10B12 Fab light chain
著者Gruszczyk, J, Chan, L.J, Tham, W.H.
登録日2017-11-22
公開日2018-06-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Cryo-EM structure of an essential Plasmodium vivax invasion complex.
Nature, 559, 2018
8BB8
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BU of 8bb8 by Molmil
Crystal structure of human aldehyde dehydrogenase ALDH3A1 in complex with octanal
分子名称: ACETATE ION, Aldehyde dehydrogenase, dimeric NADP-preferring, ...
著者Schwartz, M, Neiers, F.
登録日2022-10-12
公開日2023-04-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Characterization of human oxidoreductases involved in aldehyde odorant metabolism.
Sci Rep, 13, 2023
6DC2
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BU of 6dc2 by Molmil
Crystal structure of Desulfovibrio vulgaris carbon monoxide dehydrogenase C301S variant
分子名称: Carbon monoxide dehydrogenase, FE (III) ION, FE(4)-NI(1)-S(4) CLUSTER, ...
著者Wittenborn, E.C, Drennan, C.L.
登録日2018-05-04
公開日2018-10-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.992 Å)
主引用文献Redox-dependent rearrangements of the NiFeS cluster of carbon monoxide dehydrogenase.
Elife, 7, 2018
6D05
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BU of 6d05 by Molmil
Cryo-EM structure of a Plasmodium vivax invasion complex essential for entry into human reticulocytes; two molecules of parasite ligand, subclass 2.
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, CALCIUM ION, ...
著者Gruszczyk, J, Huang, R.K, Hong, C, Yu, Z, Tham, W.H.
登録日2018-04-10
公開日2018-06-20
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Cryo-EM structure of an essential Plasmodium vivax invasion complex.
Nature, 559, 2018
2IXY
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BU of 2ixy by Molmil
Solution structure of the apical stem-loop of the human hepatitis B virus encapsidation signal
分子名称: 5'-R(*GP*GP*CP*CP*UP*CP*CP*AP*AP*GP *CP*UP*GP*UP*GP*CP*CP*UP*UP*GP*GP*GP*UP*GP*GP*CP*C)-3'
著者Flodell, S, Petersen, M, Girard, F, Zdunek, J, Kidd-Ljunggren, K, Schleucher, J, Wijmenga, S.S.
登録日2006-07-11
公開日2006-09-06
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution structure of the apical stem-loop of the human hepatitis B virus encapsidation signal.
Nucleic Acids Res., 34, 2006
7PNL
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BU of 7pnl by Molmil
Complex between monomolecular human telomeric G-quadruplex and a sulfonamide derivative of the natural alkaloid Berberine
分子名称: 4-[[1-[3-[(17-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(21),2(10),3,8,13,15,17,19-octaen-16-yl)oxy]propyl]triazol-4-yl]methoxy]benzenesulfonamide, G-guadruplex DNA (23-mer), POTASSIUM ION
著者Bazzicalupi, C, Gratteri, P, Petreni, A, Nocentini, A.
登録日2021-09-07
公開日2022-09-21
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Development of a multi-targeted chemotherapeutic approach based on G-quadruplex stabilisation and carbonic anhydrase inhibition.
J Enzyme Inhib Med Chem, 39, 2024
5GSV
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BU of 5gsv by Molmil
Mouse MHC class I H-2Kd with a MERS-CoV-derived peptide 142-5
分子名称: 10-mer peptide from Spike protein, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ...
著者Liu, K, Chai, Y, Qi, J, Tan, W, Liu, W.J, Gao, G.F.
登録日2016-08-17
公開日2017-04-26
実験手法X-RAY DIFFRACTION (1.996 Å)
主引用文献Protective T Cell Responses Featured by Concordant Recognition of Middle East Respiratory Syndrome Coronavirus-Derived CD8+ T Cell Epitopes and Host MHC.
J. Immunol., 198, 2017
5GR7
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BU of 5gr7 by Molmil
Mouse MHC class I H-2Kd with a MERS-CoV-derived peptide 37-1
分子名称: Beta-2-microglobulin, H-2 class I histocompatibility antigen, K-D alpha chain, ...
著者Liu, K, Chai, Y, Qi, J, Tan, W, Liu, W.J, Gao, G.F.
登録日2016-08-08
公開日2017-06-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Protective T Cell Responses Featured by Concordant Recognition of Middle East Respiratory Syndrome Coronavirus-Derived CD8+ T Cell Epitopes and Host MHC.
J. Immunol., 198, 2017
5GSR
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BU of 5gsr by Molmil
Mouse MHC class I H-2Kd with a MERS-CoV-derived peptide I5A
分子名称: 9-mer peptide from Spike protein, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ...
著者Liu, K, Chai, Y, Qi, J, Tan, W, Liu, W.J, Gao, G.F.
登録日2016-08-17
公開日2017-04-26
実験手法X-RAY DIFFRACTION (2.198 Å)
主引用文献Protective T Cell Responses Featured by Concordant Recognition of Middle East Respiratory Syndrome Coronavirus-Derived CD8+ T Cell Epitopes and Host MHC.
J. Immunol., 198, 2017
5GSB
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BU of 5gsb by Molmil
Mouse MHC class I H-2Kd with a MERS-CoV-derived peptide 37-3
分子名称: Beta-2-microglobulin, H-2 class I histocompatibility antigen, K-D alpha chain, ...
著者Liu, K, Chai, Y, Qi, J, Tan, W, Liu, W.J, Gao, G.F.
登録日2016-08-15
公開日2017-07-12
最終更新日2017-10-04
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Protective T Cell Responses Featured by Concordant Recognition of Middle East Respiratory Syndrome Coronavirus-Derived CD8+ T Cell Epitopes and Host MHC.
J. Immunol., 198, 2017
5N9C
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BU of 5n9c by Molmil
ENAH EVH1 in complex with Ac-[2-Cl-F]-PP-[ProM-1]-OH
分子名称: Ac-[2-Cl-F]-PP-[ProM-1]-OH, GLYCEROL, NITRATE ION, ...
著者Barone, M, Roske, Y.
登録日2017-02-24
公開日2017-06-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020

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件を2024-08-28に公開中

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