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6WTR
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BU of 6wtr by Molmil
Structure of Human pir-miRNA-300 Apical Loop Fused to the YdaO Riboswitch Scaffold
分子名称: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, MAGNESIUM ION, POTASSIUM ION, ...
著者Shoffner, G.M, Peng, Z, Guo, F.
登録日2020-05-03
公開日2021-05-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.082 Å)
主引用文献Structures of microRNA-precursor apical junctions and loops revealed by scaffold-directed crystallography: importance of non-canonical base pairs in processing
To Be Published
6WTL
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BU of 6wtl by Molmil
Structure of Human pir-miRNA-19b-2 Apical Loop and One-base-pair Fused to the YdaO Riboswitch Scaffold
分子名称: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, MAGNESIUM ION, POTASSIUM ION, ...
著者Shoffner, G.M, Peng, Z, Guo, F.
登録日2020-05-03
公開日2021-05-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Three-dimensional structures of pri-miRNA apical junctions and loops revealed by scaffold-directed crystallography
To Be Published
6N5T
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BU of 6n5t by Molmil
Structure of Human pir-miRNA-378a Apical Loop Fused to the YdaO Riboswitch Scaffold
分子名称: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, MAGNESIUM ION, POTASSIUM ION, ...
著者Shoffner, G.M, Peng, Z, Guo, F.
登録日2018-11-22
公開日2019-11-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.787 Å)
主引用文献Three-dimensional structures of pri-miRNA apical junctions and loops revealed by scaffold-directed crystallography
To Be Published
6N5P
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BU of 6n5p by Molmil
Structure of Human pir-miRNA-340 Apical Loop and One-base-pair Fused to the YdaO Riboswitch Scaffold
分子名称: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, MAGNESIUM ION, POTASSIUM ION, ...
著者Shoffner, G.M, Peng, Z, Guo, F.
登録日2018-11-22
公開日2019-11-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.991 Å)
主引用文献Three-dimensional structures of pri-miRNA apical junctions and loops revealed by scaffold-directed crystallography
To Be Published
6N5N
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BU of 6n5n by Molmil
Structure of Human pir-miRNA-208a Apical Loop and One-base-pair Fused to the YdaO Riboswitch Scaffold
分子名称: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, MAGNESIUM ION, POTASSIUM ION, ...
著者Shoffner, G.M, Peng, Z, Guo, F.
登録日2018-11-22
公開日2019-11-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.951 Å)
主引用文献Three-dimensional structures of pri-miRNA apical junctions and loops revealed by scaffold-directed crystallography
To Be Published
6N5S
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BU of 6n5s by Molmil
Structure of Human pir-miRNA-320b-2 Apical Loop and One-base-pair Stem Fused to the YdaO Riboswitch Scaffold
分子名称: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, GUANOSINE-5'-MONOPHOSPHATE, MAGNESIUM ION, ...
著者Shoffner, G.M, Peng, Z, Guo, F.
登録日2018-11-22
公開日2019-11-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.802 Å)
主引用文献Three-dimensional structures of pri-miRNA apical junctions and loops revealed by scaffold-directed crystallography
To Be Published
6N5Q
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BU of 6n5q by Molmil
Structure of Human pir-miRNA-378a Apical Loop and One-base-pair Fused to the YdaO Riboswitch Scaffold
分子名称: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, MAGNESIUM ION, POTASSIUM ION, ...
著者Shoffner, G.M, Peng, Z, Guo, F.
登録日2018-11-22
公開日2019-11-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.946 Å)
主引用文献Three-dimensional structures of pri-miRNA apical junctions and loops revealed by scaffold-directed crystallography
To Be Published
6N5K
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BU of 6n5k by Molmil
Structure of Human pir-miRNA-449c Apical Loop and One-base-pair Fused to the YdaO Riboswitch Scaffold
分子名称: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, MAGNESIUM ION, POTASSIUM ION, ...
著者Shoffner, G.M, Peng, Z, Guo, F.
登録日2018-11-22
公開日2019-11-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.098 Å)
主引用文献Three-dimensional structures of pri-miRNA apical junctions and loops revealed by scaffold-directed crystallography
To Be Published
6N5O
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BU of 6n5o by Molmil
Structure of Human pir-miRNA-202 Apical Loop and One-base-pair Fused to the YdaO Riboswitch Scaffold
分子名称: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, MAGNESIUM ION, POTASSIUM ION, ...
著者Shoffner, G.M, Peng, Z, Guo, F.
登録日2018-11-22
公開日2019-11-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.708 Å)
主引用文献Three-dimensional structures of pri-miRNA apical junctions and loops revealed by scaffold-directed crystallography
To Be Published
5KSJ
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BU of 5ksj by Molmil
Crystal structure of deoxygenated hemoglobin in complex with Sphingosine phosphate
分子名称: (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Ahmed, M.H, Safo, M.K, Xia, Y.
登録日2016-07-08
公開日2017-07-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and Functional Insight of Sphingosine 1-Phosphate-Mediated Pathogenic Metabolic Reprogramming in Sickle Cell Disease.
Sci Rep, 7, 2017
6Q9N
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BU of 6q9n by Molmil
Crystal structure of PBP2a from MRSA in complex with piperacillin and quinazolinone
分子名称: 3-[2-[(~{E})-2-(4-ethynylphenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid, CADMIUM ION, CHLORIDE ION, ...
著者Martinez-Caballero, S, Batuecas, M.T, Hermoso, J.A.
登録日2018-12-18
公開日2019-11-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The Quinazolinone Allosteric Inhibitor of PBP 2a Synergizes with Piperacillin and Tazobactam against Methicillin-Resistant Staphylococcus aureus.
Antimicrob.Agents Chemother., 63, 2019
5KSI
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BU of 5ksi by Molmil
Crystal structure of deoxygenated hemoglobin in complex with sphingosine phosphate and 2,3-Bisphosphoglycerate
分子名称: (2R)-2,3-diphosphoglyceric acid, (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Hemoglobin subunit alpha, ...
著者Ahmed, M.H, Safo, M.K, Xia, Y.
登録日2016-07-08
公開日2017-07-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and Functional Insight of Sphingosine 1-Phosphate-Mediated Pathogenic Metabolic Reprogramming in Sickle Cell Disease.
Sci Rep, 7, 2017
4YHD
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BU of 4yhd by Molmil
Staphylococcal alpha-hemolysin H35A mutant monomer
分子名称: Alpha-hemolysin, CHLORIDE ION
著者Sugawara, T, Kato, K, Tanaka, Y, Yao, M.
登録日2015-02-27
公開日2015-10-21
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.801 Å)
主引用文献Structural basis for pore-forming mechanism of staphylococcal alpha-hemolysin
Toxicon, 108, 2015
5TIJ
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BU of 5tij by Molmil
Structure of Human Enolase 2 with ((3S,5S)-1,5-dihydroxy-3-methyl-2-oxopyrrolidin-3-yl)phosphonate (purified enantiomer)
分子名称: ((3S,5S)-1,5-dihydroxy-3-methyl-2-oxopyrrolidin-3-yl)phosphonic acid, Gamma-enolase, MAGNESIUM ION
著者Leonard, P.G, Muller, F.L.
登録日2016-10-03
公開日2017-10-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.634 Å)
主引用文献Eradication of ENO1-deleted Glioblastoma through Collateral Lethality
Biorxiv, 2019
4CJN
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BU of 4cjn by Molmil
Crystal structure of PBP2a from MRSA in complex with quinazolinone ligand
分子名称: (E)-3-(2-(4-cyanostyryl)-4-oxoquinazolin-3(4H)-yl)benzoic acid, CADMIUM ION, CHLORIDE ION, ...
著者Bouley, R, Otero, L.H, Rojas-Altuve, A, Hermoso, J.A.
登録日2013-12-21
公開日2015-02-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.947 Å)
主引用文献Discovery of Antibiotic (E)-3-(3-Carboxyphenyl)-2-(4-Cyanostyryl)Quinazolin-4(3H)-One.
J.Am.Chem.Soc., 137, 2015
4QP0
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BU of 4qp0 by Molmil
Crystal Structure Analysis of the Endo-1,4-beta-mannanase from Rhizomucor miehei
分子名称: Endo-beta-mannanase, SULFATE ION
著者Zheng, Q.J, Peng, Z, Liu, Y, Yan, Q.J, Chen, Z.Z, Qin, Z.
登録日2014-06-22
公開日2014-11-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural insights into the substrate specificity and transglycosylation activity of a fungal glycoside hydrolase family 5 beta-mannosidase.
Acta Crystallogr.,Sect.D, 70, 2014
2NAE
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BU of 2nae by Molmil
Membrane-bound mouse CD28 cytoplasmic tail
分子名称: T-cell-specific surface glycoprotein CD28
著者Li, H, Xu, C, Pan, W.
登録日2015-12-23
公開日2016-12-21
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Dynamic regulation of CD28 conformation and signaling by charged lipids and ions.
Nat.Struct.Mol.Biol., 24, 2017
2KUB
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BU of 2kub by Molmil
Solution structure of the alpha subdomain of the major non-repeat unit of Fap1 fimbriae of Streptococcus parasanguis
分子名称: Fimbriae-associated protein Fap1
著者Ramboarina, S, Garnett, J.A, Bodey, A, Simpson, P, Bardiaux, B, Nilges, M, Matthews, S.
登録日2010-02-17
公開日2010-07-21
最終更新日2022-03-16
実験手法SOLUTION NMR
主引用文献Structural insights into serine-rich fimbriae from gram-positive bacteria.
J.Biol.Chem., 2010
4ZA0
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BU of 4za0 by Molmil
Structure of Human Enolase 2 in complex with Phosphonoacetohydroxamate
分子名称: Gamma-enolase, MAGNESIUM ION, PHOSPHONOACETOHYDROXAMIC ACID
著者Leonard, P.G, Maxwell, D, Czako, B, Muller, F.L.
登録日2015-04-13
公開日2016-04-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献SF2312 is a natural phosphonate inhibitor of enolase.
Nat.Chem.Biol., 12, 2016
4ZCW
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BU of 4zcw by Molmil
Structure of Human Enolase 2 in complex with SF2312
分子名称: Gamma-enolase, MAGNESIUM ION, [(3S,5S)-1,5-dihydroxy-2-oxopyrrolidin-3-yl]phosphonic acid
著者Leonard, P.G, Maxwell, D, Czako, B, Muller, F.L.
登録日2015-04-16
公開日2016-07-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.992 Å)
主引用文献SF2312 is a natural phosphonate inhibitor of enolase.
Nat.Chem.Biol., 12, 2016
5TD9
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BU of 5td9 by Molmil
Structure of Human Enolase 2
分子名称: CHLORIDE ION, Gamma-enolase, MAGNESIUM ION
著者Leonard, P.G, Muller, F.L.
登録日2016-09-19
公開日2017-09-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.318 Å)
主引用文献Pomhex, a cell-permeable Enolase inhibitor for Collateral Lethality targeting of ENO1-deleted Glioblastoma
To Be Published
2X12
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BU of 2x12 by Molmil
pH-induced modulation of Streptococcus parasanguinis adhesion by Fap1 fimbriae
分子名称: FIMBRIAE-ASSOCIATED PROTEIN FAP1
著者Ramboarina, S, Murray, J.W, Garnett, J, Matthews, S.
登録日2009-12-21
公開日2010-07-07
最終更新日2019-05-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural Insights Into Serine-Rich Fimbriae from Gram-Positive Bacteria.
J.Biol.Chem., 285, 2010
4P24
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BU of 4p24 by Molmil
pore forming toxin
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Alpha-hemolysin
著者Sugawara, T, Yamashita, D, Tanaka, Y, Tanaka, I, Yao, M.
登録日2014-03-01
公開日2015-03-11
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural basis for pore-forming mechanism of staphylococcal alpha-hemolysin.
Toxicon, 108, 2015
5EU9
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BU of 5eu9 by Molmil
Structure of Human Enolase 2 in complex with ((3S,5S)-1,5-dihydroxy-3-methyl-2-oxopyrrolidin-3-yl)phosphonic acid
分子名称: ((3S,5S)-1,5-dihydroxy-3-methyl-2-oxopyrrolidin-3-yl)phosphonic acid, Gamma-enolase, MAGNESIUM ION, ...
著者Leonard, P.G, Muller, F.L.
登録日2015-11-18
公開日2016-11-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.047 Å)
主引用文献SF2312, a natural phosphonate inhibitor of Enolase
To be Published
6H5O
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BU of 6h5o by Molmil
Crystal structure of PBP2a from MRSA in complex with piperacillin at active site.
分子名称: CADMIUM ION, Penicillin binding protein 2 prime, Piperacillin (Open Form)
著者Batuecas, M.T, Martinez-Caballero, S, Hermoso, J.A.
登録日2018-07-25
公開日2019-08-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献The Quinazolinone Allosteric Inhibitor of PBP 2a Synergizes with Piperacillin and Tazobactam against Methicillin-Resistant Staphylococcus aureus.
Antimicrob.Agents Chemother., 63, 2019

 

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