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7OLX
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BU of 7olx by Molmil
MerTK kinase domain with type 1.5 inhibitor containing a tri-methyl pyrazole group
分子名称: CHLORIDE ION, Tyrosine-protein kinase Mer, ~{N}-[[3-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]methyl]-~{N}-methyl-5-[3-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyridin-2-yl]-1,3,4-oxadiazol-2-amine
著者Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Winter-Holt, J.
登録日2021-05-20
公開日2021-09-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Optimization of an Imidazo[1,2- a ]pyridine Series to Afford Highly Selective Type I1/2 Dual Mer/Axl Kinase Inhibitors with In Vivo Efficacy.
J.Med.Chem., 64, 2021
7OLS
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BU of 7ols by Molmil
MerTK kinase domain with type 1.5 inhibitor containing a di-methyl pyrazole group
分子名称: 5-[4-(1,5-dimethylpyrazol-4-yl)-2-methyl-phenyl]-~{N}-(imidazo[1,2-a]pyridin-6-ylmethyl)-~{N}-methyl-1,3,4-oxadiazol-2-amine, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Winter-Holt, J.
登録日2021-05-20
公開日2021-09-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Optimization of an Imidazo[1,2- a ]pyridine Series to Afford Highly Selective Type I1/2 Dual Mer/Axl Kinase Inhibitors with In Vivo Efficacy.
J.Med.Chem., 64, 2021
7OLV
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MerTK kinase domain with type 1.5 inhibitor containing a di-methyl, cyano pyrazole group
分子名称: 4-[4-[5-[imidazo[1,2-a]pyridin-6-ylmethyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-3-methyl-phenyl]-2,5-dimethyl-pyrazole-3-carbonitrile, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Winter-Holt, J.
登録日2021-05-20
公開日2021-09-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Optimization of an Imidazo[1,2- a ]pyridine Series to Afford Highly Selective Type I1/2 Dual Mer/Axl Kinase Inhibitors with In Vivo Efficacy.
J.Med.Chem., 64, 2021
7VKB
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BU of 7vkb by Molmil
Crystal structure of the a bacterial kinase complex
分子名称: DI(HYDROXYETHYL)ETHER, HipA (Persistence to inhibition of murein or DNA biosynthesis), HipA_C domain-containing protein, ...
著者Zhen, X, Ouyang, S.Y.
登録日2021-09-29
公開日2022-06-29
最終更新日2022-08-03
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Molecular mechanism of toxin neutralization in the HipBST toxin-antitoxin system of Legionella pneumophila.
Nat Commun, 13, 2022
7VB8
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SbSOMT in complex with resveratrol and nicotinamide adenine dinucleotide(NAD+)
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
著者Pow, K.C, Hao, Q.
登録日2021-08-30
公開日2022-09-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Regioselective stilbene O-methylations in Saccharinae grasses.
Nat Commun, 14, 2023
7VKC
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Crystal structure of a bacterial Ser/Thr kinase
分子名称: HipA_C domain-containing protein
著者Zhen, X, Ouyang, S.Y.
登録日2021-09-29
公開日2022-06-29
最終更新日2022-08-03
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Molecular mechanism of toxin neutralization in the HipBST toxin-antitoxin system of Legionella pneumophila.
Nat Commun, 13, 2022
7WCF
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BU of 7wcf by Molmil
Crystal structure of the kinase with AMP-PNP
分子名称: HipA_C domain-containing protein, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
著者Ouyang, S.Y, Zhen, X.
登録日2021-12-20
公開日2022-06-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.3636 Å)
主引用文献Molecular mechanism of toxin neutralization in the HipBST toxin-antitoxin system of Legionella pneumophila.
Nat Commun, 13, 2022
7WAS
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BU of 7was by Molmil
SbSOMT in complex with pterostilbene and nicotinamide adenine dinucleotide(NAD+)
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Pow, K.C, Hao, Q.
登録日2021-12-14
公開日2022-12-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Regioselective stilbene O-methylations in Saccharinae grasses.
Nat Commun, 14, 2023
7WAQ
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SbSOMT in complex with resveratrol
分子名称: 1,2-ETHANEDIOL, RESVERATROL, stilbene O-methyltransferase
著者Pow, K.C, Hao, Q.
登録日2021-12-14
公開日2022-12-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Regioselective stilbene O-methylations in Saccharinae grasses.
Nat Commun, 14, 2023
7WAR
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BU of 7war by Molmil
SbSOMT in complex with pinostilbene and nicotinamide adenine dinucleotide(NAD+)
分子名称: 1,2-ETHANEDIOL, 3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxy-phenol, ACETATE ION, ...
著者Pow, K.C, Hao, Q.
登録日2021-12-14
公開日2022-12-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Regioselective stilbene O-methylations in Saccharinae grasses.
Nat Commun, 14, 2023
7PFP
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BU of 7pfp by Molmil
Full-length cryo-EM structure of the native human uromodulin (UMOD)/Tamm-Horsfall protein (THP) filament
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Uromodulin, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Jovine, L, Xu, C, Stsiapanava, A, Carroni, M, Tunyasuvunakool, K, Jumper, J, Wu, B.
登録日2021-08-11
公開日2022-03-16
最終更新日2022-03-30
実験手法ELECTRON MICROSCOPY (6.1 Å)
主引用文献Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH.
Nat.Struct.Mol.Biol., 29, 2022
8HKG
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BU of 8hkg by Molmil
Crystal structure of glycosidic hydrolase family 10 (GH10) xylanase XynA contains an additional proline-rich sequence in the C-terminus
分子名称: xylanase
著者Dong, R.Y, Tu, T.
登録日2022-11-26
公開日2023-02-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Effectiveness of ruminal xylanase with an extra proline-rich C-terminus on lignocellulosic biomass degradation.
Bioresour Technol, 372, 2023
4WRN
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BU of 4wrn by Molmil
Crystal structure of the polymerization region of human uromodulin/Tamm-Horsfall protein
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Maltose-binding periplasmic protein,Uromodulin, ZINC ION, ...
著者Bokhove, M, De Sanctis, D, Jovine, L.
登録日2014-10-24
公開日2016-01-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献A structured interdomain linker directs self-polymerization of human uromodulin.
Proc.Natl.Acad.Sci.USA, 113, 2016
4R5P
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BU of 4r5p by Molmil
Crystal structure of HIV-1 reverse transcriptase (RT) with DNA and a nucleoside triphosphate mimic alpha-carboxy nucleoside phosphonate inhibitor
分子名称: 5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*G)-3', 5'-D(*TP*GP*GP*AP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3', HIV-1 reverse transcriptase, ...
著者Das, K, Martinez, S.E, Arnold, E.
登録日2014-08-21
公開日2015-03-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.894 Å)
主引用文献Alpha-carboxy nucleoside phosphonates as universal nucleoside triphosphate mimics.
Proc.Natl.Acad.Sci.USA, 112, 2015
7S0S
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BU of 7s0s by Molmil
M. tuberculosis ribosomal RNA methyltransferase TlyA bound to M. smegmatis 50S ribosomal subunit
分子名称: 16S/23S rRNA (Cytidine-2'-O)-methyltransferase TlyA, 23S rRNA, 50S ribosomal protein L10, ...
著者Laughlin, Z.T, Dunham, C.M, Conn, G.L.
登録日2021-08-31
公開日2022-03-30
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.05 Å)
主引用文献50S subunit recognition and modification by the Mycobacterium tuberculosis ribosomal RNA methyltransferase TlyA.
Proc.Natl.Acad.Sci.USA, 119, 2022
4RWZ
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BU of 4rwz by Molmil
Crystal structure of the antibiotic-resistance methyltransferase Kmr
分子名称: Putative rRNA methyltransferase
著者Savic, M.
登録日2014-12-08
公開日2015-03-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献30S Subunit-Dependent Activation of the Sorangium cellulosum So ce56 Aminoglycoside Resistance-Conferring 16S rRNA Methyltransferase Kmr.
Antimicrob.Agents Chemother., 59, 2015
4RX1
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BU of 4rx1 by Molmil
Crystal Structure of antibiotic-resistance methyltransferase Kmr
分子名称: GLYCEROL, IODIDE ION, Putative rRNA methyltransferase
著者Savic, M.
登録日2014-12-08
公開日2015-03-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.472 Å)
主引用文献30S Subunit-Dependent Activation of the Sorangium cellulosum So ce56 Aminoglycoside Resistance-Conferring 16S rRNA Methyltransferase Kmr.
Antimicrob.Agents Chemother., 59, 2015
5BWV
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BU of 5bwv by Molmil
X-RAY CRYSTAL STRUCTURE AT 1.86A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A PYRAZOLOPYRIMIDINONE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.
分子名称: 1,2-ETHANEDIOL, 2-[(4-chlorobenzyl)amino]-7-oxo-5-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile, Branched-chain-amino-acid aminotransferase, ...
著者Somers, D.O.
登録日2015-06-08
公開日2015-07-01
最終更新日2019-06-12
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献The Discovery of in Vivo Active Mitochondrial Branched-Chain Aminotransferase (BCATm) Inhibitors by Hybridizing Fragment and HTS Hits.
J.Med.Chem., 58, 2015
5BWT
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BU of 5bwt by Molmil
X-RAY CRYSTAL STRUCTURE AT 2.20A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A PYRAZOLOPYRIMIDINONE FRAGMENT AND AN INTERNAL ALDIMINE LINKED PLP.
分子名称: 1,2-ETHANEDIOL, 5-ethyl-2-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile, Branched-chain-amino-acid aminotransferase, ...
著者Somers, D.O.
登録日2015-06-08
公開日2015-07-01
最終更新日2019-06-12
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Discovery of in Vivo Active Mitochondrial Branched-Chain Aminotransferase (BCATm) Inhibitors by Hybridizing Fragment and HTS Hits.
J.Med.Chem., 58, 2015
5BWX
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BU of 5bwx by Molmil
X-RAY CRYSTAL STRUCTURE AT 1.70A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A 4-CHLORO-2-FLUORO SUBSTITUTED PYRAZOLOPYRIMIDINONE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.
分子名称: 1,2-ETHANEDIOL, 5-butyl-2-[(4-chloro-2-fluorobenzyl)amino]-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile, Branched-chain-amino-acid aminotransferase, ...
著者Somers, D.O.
登録日2015-06-08
公開日2015-07-01
最終更新日2019-06-12
実験手法X-RAY DIFFRACTION (1.703 Å)
主引用文献The Discovery of in Vivo Active Mitochondrial Branched-Chain Aminotransferase (BCATm) Inhibitors by Hybridizing Fragment and HTS Hits.
J.Med.Chem., 58, 2015
5BWR
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BU of 5bwr by Molmil
X-RAY CRYSTAL STRUCTURE AT 2.20A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A PYRAZOLOPYRIMIDINONE FRAGMENT AND AN INTERNAL ALDIMINE LINKED PLP.
分子名称: 1,2-ETHANEDIOL, 5-benzyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile, Branched-chain-amino-acid aminotransferase, ...
著者Somers, D.
登録日2015-06-08
公開日2015-07-01
最終更新日2019-06-12
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Discovery of in Vivo Active Mitochondrial Branched-Chain Aminotransferase (BCATm) Inhibitors by Hybridizing Fragment and HTS Hits.
J.Med.Chem., 58, 2015
1AQJ
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BU of 1aqj by Molmil
STRUCTURE OF ADENINE-N6-DNA-METHYLTRANSFERASE TAQI
分子名称: ADENINE-N6-DNA-METHYLTRANSFERASE TAQI, SINEFUNGIN
著者Schluckebier, G, Saenger, W.
登録日1996-07-25
公開日1997-02-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Differential binding of S-adenosylmethionine S-adenosylhomocysteine and Sinefungin to the adenine-specific DNA methyltransferase M.TaqI.
J.Mol.Biol., 265, 1997
1AQI
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BU of 1aqi by Molmil
STRUCTURE OF ADENINE-N6-DNA-METHYLTRANSFERASE TAQI
分子名称: ADENINE-N6-DNA-METHYLTRANSFERASE TAQI, S-ADENOSYL-L-HOMOCYSTEINE
著者Schluckebier, G, Saenger, W.
登録日1996-07-25
公開日1997-02-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Differential binding of S-adenosylmethionine S-adenosylhomocysteine and Sinefungin to the adenine-specific DNA methyltransferase M.TaqI.
J.Mol.Biol., 265, 1997
8D8R
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BU of 8d8r by Molmil
SARS-CoV-2 Spike RBD in complex with DMAb 2196
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2196 heavy chain, 2196 light chain, ...
著者Du, J, Cui, J, Pallesen, J.
登録日2022-06-08
公開日2022-10-19
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献DNA-delivered antibody cocktail exhibits improved pharmacokinetics and confers prophylactic protection against SARS-CoV-2.
Nat Commun, 13, 2022
8D8Q
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BU of 8d8q by Molmil
SARS-CoV-2 Spike RBD in complex with DMAbs 2130 and 2196
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2130 heavy chain, 2130 light chain, ...
著者Du, J, Cui, J, Pallesen, J.
登録日2022-06-08
公開日2022-10-19
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献DNA-delivered antibody cocktail exhibits improved pharmacokinetics and confers prophylactic protection against SARS-CoV-2.
Nat Commun, 13, 2022

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件を2024-08-07に公開中

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