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5XHV
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Crystal Structure Of Fab S40 In Complex With Influenza Hemagglutinin, HA1 subunit.
分子名称: Hemagglutinin, S40 heavy chain, S40 light chain
著者Lee, C.C, Wang, A.H.J, Yu, C.M, Yang, A.S.
登録日2017-04-24
公開日2017-11-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献High throughput discovery of influenza virus neutralizing antibodies from phage-displayed synthetic antibody libraries.
Sci Rep, 7, 2017
5XJ1
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BU of 5xj1 by Molmil
Crystal structure of spRlmCD
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, HEXAETHYLENE GLYCOL, ...
著者Jiang, Y, Gong, Q.
登録日2017-04-28
公開日2017-11-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.753 Å)
主引用文献Structural insights into substrate selectivity of ribosomal RNA methyltransferase RlmCD
PLoS ONE, 12, 2017
4R93
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BU of 4r93 by Molmil
BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-1-methyl-5-oxo-4-(((1S,3R)-3-(3-phenylureido)cyclohexyl)methyl)imidazolidin-2-iminium
分子名称: 1-[(1R,3S)-3-{[(2E,4R)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]-3-phenylurea, Beta-secretase 1, L(+)-TARTARIC ACID
著者Orth, P, Strickland, C, Caldwell, J.P.
登録日2014-09-03
公開日2014-11-05
最終更新日2014-12-17
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Discovery of potent iminoheterocycle BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
7MXD
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BU of 7mxd by Molmil
Cryo-EM structure of broadly neutralizing V2-apex-targeting antibody J038 in complex with HIV-1 Env
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, 3BNC117 antibody heavy chain, ...
著者Zhou, T, Gao, F.
登録日2021-05-19
公開日2022-03-30
最終更新日2022-06-22
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Development of Neutralization Breadth against Diverse HIV-1 by Increasing Ab-Ag Interface on V2.
Adv Sci, 9, 2022
4RBO
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BU of 4rbo by Molmil
Crystal structure of a Nanog homeobox (NANOG) from Homo sapiens at 3.30 A resolution
分子名称: 5'-D(*CP*TP*TP*GP*AP*AP*TP*GP*GP*GP*CP*C)-3', 5'-D(*GP*GP*CP*CP*CP*AP*TP*TP*CP*AP*AP*G)-3', Putative homeobox protein NANOGP8
著者Joint Center for Structural Genomics (JCSG), Partnership for Stem Cell Biology (STEMCELL)
登録日2014-09-12
公開日2014-10-01
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structure-based discovery of NANOG variant with enhanced properties to promote self-renewal and reprogramming of pluripotent stem cells.
Proc.Natl.Acad.Sci.USA, 112, 2015
7N28
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BU of 7n28 by Molmil
Cryo-EM structure of broadly neutralizing V2-apex-targeting antibody J033 in complex with HIV-1 Env
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, 3BNC117 antibody heavy chain, ...
著者Zhou, T, Gao, F.
登録日2021-05-28
公開日2022-04-06
最終更新日2022-06-22
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Development of Neutralization Breadth against Diverse HIV-1 by Increasing Ab-Ag Interface on V2.
Adv Sci, 9, 2022
5XIK
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BU of 5xik by Molmil
Crystal Structure of Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in complex with tetrahydro quinazolinone febrifugine
分子名称: 3-[2-oxidanylidene-3-[(2R,3R)-3-oxidanylpiperidin-2-yl]propyl]-5,6,7,8-tetrahydroquinazolin-4-one, CHLORIDE ION, MAGNESIUM ION, ...
著者Jain, V, Manickam, Y, Sharma, A.
登録日2017-04-26
公開日2018-03-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Targeting Prolyl-tRNA Synthetase to Accelerate Drug Discovery against Malaria, Leishmaniasis, Toxoplasmosis, Cryptosporidiosis, and Coccidiosis
Structure, 25, 2017
4RE3
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BU of 4re3 by Molmil
Different transition state conformations for the hydrolysis of beta-mannosides and beta-glucosides in the rice Os7BGlu26 family GH1 beta-mannosidase/beta-glucosidase
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-mannosidase/beta-glucosidase, ...
著者Tankrathok, A, Iglesias-Fernandez, J, Williams, R.J, Hakki, Z, Robinson, R.C, Hrmova, M, Rovira, C, Williams, S.J, Ketudat Cairns, J.R.
登録日2014-09-21
公開日2015-09-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献A Single Glycosidase Harnesses Different Pyranoside Ring Transition State Conformations for Hydrolysis of Mannosides and Glucosides
ACS CATALYSIS, 5, 2015
4R74
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BU of 4r74 by Molmil
Structure of the periplasmic binding protein AfuA from Actinobacillus pleuropneumoniae (exogenous fructose-6-phosphate bound)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-O-phosphono-beta-D-fructofuranose, ABC-type Fe3+ transport system, ...
著者Sit, B, Calmettes, C, Moraes, T.F.
登録日2014-08-26
公開日2015-08-12
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Active Transport of Phosphorylated Carbohydrates Promotes Intestinal Colonization and Transmission of a Bacterial Pathogen.
Plos Pathog., 11, 2015
4QVH
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BU of 4qvh by Molmil
Crystal structure of the essential Mycobacterium tuberculosis phosphopantetheinyl transferase PptT, solved as a fusion protein with maltose binding protein
分子名称: CITRATE ANION, COENZYME A, GLYCEROL, ...
著者Jung, J, Bashiri, G, Johnston, J.M, Baker, E.N.
登録日2014-07-15
公開日2014-12-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of the essential Mycobacterium tuberculosis phosphopantetheinyl transferase PptT, solved as a fusion protein with maltose binding protein.
J.Struct.Biol., 188, 2014
7MY1
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BU of 7my1 by Molmil
Sy-CrtE structure with IPP, N-term His-tag
分子名称: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, CHLORIDE ION, Geranylgeranyl pyrophosphate synthase, ...
著者Peat, T.S, Newman, J.
登録日2021-05-19
公開日2022-06-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Molecular characterization of cyanobacterial short-chain prenyltransferases and discovery of a novel GGPP phosphatase.
Febs J., 289, 2022
7MYL
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BU of 7myl by Molmil
Crystal structure of DfrA1 dihydrofolate reductase in complex with TRIMETHOPRIM
分子名称: Dihydrofolate reductase, TRIMETHOPRIM
著者Erlandsen, H, Wright, D.
登録日2021-05-21
公開日2022-06-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure-guided functional studies of plasmid-encoded dihydrofolate reductases reveal a common mechanism of trimethoprim resistance in Gram-negative pathogens.
Commun Biol, 5, 2022
5XTM
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BU of 5xtm by Molmil
Crystal structure of PhoRpp38 bound to a K-turn in P12.2 helix
分子名称: 50S ribosomal protein L7Ae, MAGNESIUM ION, RNA (47-MER)
著者Oshima, K, Kimura, M.
登録日2017-06-20
公開日2018-02-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structures of the archaeal RNase P protein Rpp38 in complex with RNA fragments containing a K-turn motif.
Acta Crystallogr F Struct Biol Commun, 74, 2018
5XO3
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BU of 5xo3 by Molmil
Thanatin M21F Free
分子名称: Thanatin
著者Sinha, S, Bhattacharjya, S.
登録日2017-05-26
公開日2018-06-27
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Thanatin M21F Free
To Be Published
5XOB
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BU of 5xob by Molmil
Crystal structure of apo TiaS (tRNAIle2 agmatidine synthetase)
分子名称: MAGNESIUM ION, ZINC ION, tRNA(Ile2) 2-agmatinylcytidine synthetase TiaS
著者Dong, J.
登録日2017-05-27
公開日2018-08-29
最終更新日2018-10-24
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Structure of tRNA-Modifying Enzyme TiaS and Motions of Its Substrate Binding Zinc Ribbon.
J. Mol. Biol., 430, 2018
5XQP
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BU of 5xqp by Molmil
Crystal structure of Notched-fin eelpout type III antifreeze protein (NFE6, AFP), P212121 form
分子名称: Ice-structuring protein, SULFATE ION
著者Adachi, M, Shimizu, R, Shibazaki, C, Kondo, H, Tsuda, S.
登録日2017-06-07
公開日2018-05-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Polypentagonal ice-like water networks emerge solely in an activity-improved variant of ice-binding protein
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7N99
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BU of 7n99 by Molmil
SDE2 SAP domain apo structure
分子名称: Isoform 2 of Replication stress response regulator SDE2
著者Paung, Y, Weinheimer, A.S, Rageul, J, Khan, A, Ho, B, Tong, M, Alphonse, S, Seeliger, M.A, Kim, H.
登録日2021-06-17
公開日2022-10-12
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Extended DNA-binding interfaces beyond the canonical SAP domain contribute to the function of replication stress regulator SDE2 at DNA replication forks.
J.Biol.Chem., 298, 2022
7NOZ
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BU of 7noz by Molmil
Structure of the nanobody stablized properdin bound alternative pathway proconvertase C3b:FB:FP
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C3 alpha chain, Complement C3 beta chain, ...
著者Lorenzen, J, Pedersen, D.V, Andersen, G.R.
登録日2021-02-26
公開日2022-07-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.9 Å)
主引用文献Structure determination of an unstable macromolecular complex enabled by nanobody-peptide bridging.
Protein Sci., 31, 2022
4RH4
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BU of 4rh4 by Molmil
Zinc-substituted pseudoazurin solved by S/Zn-SAD phasing
分子名称: Pseudoazurin, SULFATE ION, ZINC ION
著者Gessmann, R, Petratos, K.
登録日2014-10-01
公開日2015-01-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Zinc-substituted pseudoazurin solved by S/Zn-SAD phasing.
Acta Crystallogr F Struct Biol Commun, 71, 2015
7N21
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BU of 7n21 by Molmil
NMR structure of AnIB-OH
分子名称: Alpha-conotoxin AnIB
著者Conibear, A.C, Rosengren, K.J, Lee, H.S.
登録日2021-05-28
公開日2021-11-17
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Posttranslational modifications of alpha-conotoxins: sulfotyrosine and C-terminal amidation stabilise structures and increase acetylcholine receptor binding.
Rsc Med Chem, 12, 2021
7N23
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BU of 7n23 by Molmil
NMR structure of AnIB[Y(SO3)16Y]-OH
分子名称: Alpha-conotoxin AnIB
著者Conibear, A.C, Rosengren, K.J, Lee, H.S.
登録日2021-05-28
公開日2021-11-10
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Posttranslational modifications of alpha-conotoxins: sulfotyrosine and C-terminal amidation stabilise structures and increase acetylcholine receptor binding.
Rsc Med Chem, 12, 2021
7N22
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BU of 7n22 by Molmil
NMR structure of AnIB[Y(SO3)16Y]-NH2
分子名称: Alpha-conotoxin AnIB
著者Conibear, A.C, Rosengren, K.J, Lee, H.S.
登録日2021-05-28
公開日2021-11-17
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Posttranslational modifications of alpha-conotoxins: sulfotyrosine and C-terminal amidation stabilise structures and increase acetylcholine receptor binding.
Rsc Med Chem, 12, 2021
7N20
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NMR structure of native AnIB
分子名称: Alpha-conotoxin AnIB
著者Conibear, A.C, Rosengren, K.J, Lee, H.S.
登録日2021-05-28
公開日2021-11-17
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Posttranslational modifications of alpha-conotoxins: sulfotyrosine and C-terminal amidation stabilise structures and increase acetylcholine receptor binding.
Rsc Med Chem, 12, 2021
7N0T
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NMR structure of EpI[Y(SO)315Y]-OH
分子名称: Alpha-conotoxin EpI
著者Conibear, A.C, Rosengren, K.J, Lee, H.S.
登録日2021-05-26
公開日2021-11-10
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Posttranslational modifications of alpha-conotoxins: sulfotyrosine and C-terminal amidation stabilise structures and increase acetylcholine receptor binding.
Rsc Med Chem, 12, 2021
5XIH
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BU of 5xih by Molmil
Crystal Structure of Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in complex with inhibitor 5
分子名称: 6,7-bis(fluoranyl)-3-[3-[(2R)-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one, CHLORIDE ION, MAGNESIUM ION, ...
著者Jain, V, Manickam, Y, Sharma, A.
登録日2017-04-26
公開日2018-03-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Targeting Prolyl-tRNA Synthetase to Accelerate Drug Discovery against Malaria, Leishmaniasis, Toxoplasmosis, Cryptosporidiosis, and Coccidiosis
Structure, 25, 2017

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