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8YZN
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BU of 8yzn by Molmil
Crystal structural analysis of PaL
分子名称: Lipase
著者Xu, G, Wu, J.
登録日2024-04-07
公開日2024-04-17
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.799 Å)
主引用文献Crystal structure of lipase from Pseudomonas aeruginosa reveals an unusual catalytic triad conformation.
Structure, 32, 2024
4XJ8
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BU of 4xj8 by Molmil
Crystal structure of apo NanB sialidase from streptococcus pneumoniae at pH 5.0 in 50mM sodium Acetate with DMSO
分子名称: Sialidase B
著者Brear, P.
登録日2015-01-08
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.749 Å)
主引用文献`The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
4XE9
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BU of 4xe9 by Molmil
Crystal structure of the NanB sialidase from Streptococcus pneumoniae in complex with Optactin
分子名称: (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid, DIMETHYL SULFOXIDE, Sialidase B
著者Brear, P.
登録日2014-12-23
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
4XHB
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BU of 4xhb by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with pentanediol and CHES
分子名称: (1R,2S)-cyclopentane-1,2-diol, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Sialidase B
著者Brear, P.
登録日2015-01-05
公開日2016-01-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
4XJW
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BU of 4xjw by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with Optactin at pH 7.4 in PBS with DMSO as the cryoprotectant
分子名称: (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
著者Brear, P.
登録日2015-01-09
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献`The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
4XJ9
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BU of 4xj9 by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with Optactin at pH 5.0 in 50mM Sodium Acetate with DMSO as the cryoprotectant
分子名称: (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid, DIMETHYL SULFOXIDE, Sialidase B
著者Brear, P.
登録日2015-01-08
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献`The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
4XJZ
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BU of 4xjz by Molmil
Crystal structure of apo NanB sialidase from streptococcus pneumoniae at pH 7.4 in PBS with DMSO
分子名称: DIMETHYL SULFOXIDE, PHOSPHATE ION, Sialidase B
著者Brear, P.
登録日2015-01-09
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
4XOG
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BU of 4xog by Molmil
CRYSTAL STRUCTURE OF THE NANB SIALIDASE FROM STREPTOCOCCUS PNEUMONIAE IN COMPLEX WITH Optactin and DANA
分子名称: (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid, 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, DIMETHYL SULFOXIDE, ...
著者Brear, P.
登録日2015-01-16
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
4XIO
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BU of 4xio by Molmil
Crystal structure of apo NanB sialidase from streptococcus pneumoniae at pH 8.0 with MPD as the cryoprotectant
分子名称: Sialidase B
著者Brear, P.
登録日2015-01-07
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献`The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
4XJU
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BU of 4xju by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 4-acetamido-2-fluoro-3-hydroxy-6-[1,2-dihydroxyethyl]-7,8-dioxabicyclo[3.2.1]octane-1-carboxylic acid
分子名称: (1R,2R,3R,4R,5R,7R)-2-(acetylamino)-7-[(1R)-1,2-dihydroxyethyl]-4-fluoro-3-hydroxy-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
著者Brear, P.
登録日2015-01-09
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献`The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
4XHX
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BU of 4xhx by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with Optactin and 2-[(3-Chlorobenzyl)ammonio]ethanesulfonate
分子名称: (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid, 2-[(3-chlorobenzyl)amino]ethanesulfonic acid, DIMETHYL SULFOXIDE, ...
著者Brear, P.
登録日2015-01-06
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
4XIK
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BU of 4xik by Molmil
Crystal structure of NanB sialidase from streptococcus pneumoniae in complex with DMSO
分子名称: DIMETHYL SULFOXIDE, Sialidase B
著者Brear, P.
登録日2015-01-07
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献`The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
4XJA
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BU of 4xja by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 5-acetamido-2,3-difluoro-3-hydroxy-6-[1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
分子名称: (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid, (2R,3R,4R,5R,6R)-5-acetamido-2,3-difluoro-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-carboxylic acid, DIMETHYL SULFOXIDE, ...
著者Brear, P.
登録日2015-01-08
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献`The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
4XIL
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BU of 4xil by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with Optactin at pH 7.4 in PBS with MPD as the cryoprotectant
分子名称: (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid, Sialidase B
著者Brear, P.
登録日2015-01-07
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献`The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
4XMA
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BU of 4xma by Molmil
Crystal structure of the K499G mutant of NanB sialidase from streptococcus pneumoniae in complex with Optactin
分子名称: (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid, DIMETHYL SULFOXIDE, Sialidase B
著者Brear, P.
登録日2015-01-14
公開日2016-02-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献`The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
4XMI
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BU of 4xmi by Molmil
Crystal structure of the K499G mutant of NanB sialidase from Streptococcus pneumoniae
分子名称: DIMETHYL SULFOXIDE, PHOSPHATE ION, Sialidase B
著者Brear, P.
登録日2015-01-14
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
8WIK
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BU of 8wik by Molmil
Crystal structure of human FSP1
分子名称: 6-HYDROXY-FLAVIN-ADENINE DINUCLEOTIDE, Ferroptosis suppressor protein 1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Feng, S, Huang, X, Tang, D, Qi, S.
登録日2023-09-24
公開日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The crystal structure of human ferroptosis suppressive protein 1 in complex with flavin adenine dinucleotide and nicotinamide adenine nucleotide.
MedComm (2020), 5, 2024
7XE8
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BU of 7xe8 by Molmil
Crystal structure of imine reductase from Streptomyces albidoflavus
分子名称: 6-phosphogluconate dehydrogenase NAD-binding
著者Zhang, J, Chen, R.C, Gao, S.S.
登録日2022-03-30
公開日2022-10-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Actinomycetes-derived imine reductases with a preference towards bulky amine substrates
Commun Chem, 5, 2022
8J6R
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BU of 8j6r by Molmil
Cryo-EM structure of the MK-6892-bound human HCAR2-Gi1 complex
分子名称: 2-[[2,2-dimethyl-3-[3-(5-oxidanylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]cyclohexene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Mao, C, Gao, M, Zang, S, Zhu, Y, Ma, X, Zhang, Y.
登録日2023-04-26
公開日2023-12-06
実験手法ELECTRON MICROSCOPY (2.76 Å)
主引用文献Orthosteric and allosteric modulation of human HCAR2 signaling complex.
Nat Commun, 14, 2023
8J6P
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BU of 8j6p by Molmil
Cryo-EM structure of the MK-6892-bound human HCAR2-Gi1 complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-methyl-N-[(2R)-1-phenoxypropan-2-yl]-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide, CHOLESTEROL, ...
著者Mao, C, Gao, M, Zang, S, Zhu, Y, Ma, X, Zhang, Y.
登録日2023-04-26
公開日2023-12-06
実験手法ELECTRON MICROSCOPY (2.55 Å)
主引用文献Orthosteric and allosteric modulation of human HCAR2 signaling complex.
Nat Commun, 14, 2023
8J6Q
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BU of 8j6q by Molmil
Cryo-EM structure of the 3-HB and compound 9n-bound human HCAR2-Gi1 complex
分子名称: (3R)-3-hydroxybutanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-methyl-N-[(2R)-1-phenoxypropan-2-yl]-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide, ...
著者Mao, C, Gao, M, Zang, S, Zhu, Y, Ma, X, Zhang, Y.
登録日2023-04-26
公開日2023-12-06
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Orthosteric and allosteric modulation of human HCAR2 signaling complex.
Nat Commun, 14, 2023
7XR5
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BU of 7xr5 by Molmil
Crystal structure of imine reductase with NAPDH from Streptomyces albidoflavus
分子名称: 3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57-nonadecaoxanonapentacontane-1,59-diol, 6-phosphogluconate dehydrogenase NAD-binding, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Zhang, J, Chen, R.C, Gao, S.S.
登録日2022-05-09
公開日2022-10-19
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Actinomycetes-derived imine reductases with a preference towards bulky amine substrates.
Commun Chem, 5, 2022
8P8C
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BU of 8p8c by Molmil
HUMAN CD38 ECTODOMAIN BOUND TO COMPOUND 9-ADPR ADDUCT
分子名称: ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[4-[4-[[4-(2-methoxyethoxy)cyclohexyl]amino]-1-methyl-2-oxidanylidene-quinolin-6-yl]pyrazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
著者Rangel, V, Zebisch, M, Doyle, K.J, Burli, R.W.
登録日2023-05-31
公開日2023-07-26
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.653 Å)
主引用文献A Covalent Binding Mode of a Pyrazole-Based CD38 Inhibitor
Helv.Chim.Acta, 106, 2023
3UPR
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BU of 3upr by Molmil
HLA-B*57:01 complexed to pep-V and Abacavir
分子名称: Beta-2-microglobulin, CHLORIDE ION, HLA class I histocompatibility antigen, ...
著者Pompeu, Y.A, Ostrov, D.A.
登録日2011-11-18
公開日2012-06-13
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.999 Å)
主引用文献Drug hypersensitivity caused by alteration of the MHC-presented self-peptide repertoire.
Proc.Natl.Acad.Sci.USA, 109, 2012
6WTQ
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BU of 6wtq by Molmil
Human JAK2 JH1 domain in complex with PROTAC-intermediate linker handle 4
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-methyl-4-{[4-(1-propyl-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino}benzamide, ...
著者Yu, S, Nithianantham, S, Fischer, M.
登録日2020-05-03
公開日2021-05-05
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.79968476 Å)
主引用文献Degradation of Janus kinases in CRLF2-rearranged acute lymphoblastic leukemia.
Blood, 138, 2021

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件を2024-10-30に公開中

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