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7NA9
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BU of 7na9 by Molmil
Crystal structure of BoNT/B-LC-JSG-C1
分子名称: 1,2-ETHANEDIOL, Botulinum neurotoxin type B, JSG-C1, ...
著者Lam, K, Jin, R.
登録日2021-06-20
公開日2021-12-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Probing the structure and function of the protease domain of botulinum neurotoxins using single-domain antibodies.
Plos Pathog., 18, 2022
7YYJ
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BU of 7yyj by Molmil
Tetragonal crystal structure of YTHDF1 YTH domain (544AVV546 mutant)
分子名称: 1,2-ETHANEDIOL, THIOCYANATE ION, YTH domain-containing family protein 1
著者Dalle Vedove, A, Cazzanelli, G, Lolli, G.
登録日2022-02-18
公開日2023-03-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Pliability in the m 6 A-Binding Region Extends Druggability of YTH Domains.
J.Chem.Inf.Model., 2024
7YZ8
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BU of 7yz8 by Molmil
Triclinic crystal structure of YTHDF1 YTH domain (544AVV546 mutant)
分子名称: THIOCYANATE ION, YTH domain-containing family protein 1
著者Dalle Vedove, A, Cazzanelli, G, Lolli, G.
登録日2022-02-19
公開日2023-03-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Pliability in the m 6 A-Binding Region Extends Druggability of YTH Domains.
J.Chem.Inf.Model., 2024
6MON
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BU of 6mon by Molmil
Crystal structure of human SMYD2 in complex with Nle-peptide inhibitor
分子名称: GLYCEROL, LYS-LEU-NLE-SER-LYS-ARG-GLY, N-lysine methyltransferase SMYD2, ...
著者Spellmon, N, Cornett, E, Brunzelle, J, Rothbart, S, Yang, Z.
登録日2018-10-04
公開日2018-12-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.711 Å)
主引用文献A functional proteomics platform to reveal the sequence determinants of lysine methyltransferase substrate selectivity.
Sci Adv, 4, 2018
8WBP
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BU of 8wbp by Molmil
Crystal structure of cis-Epoxysuccinate Hydrolases RhCESH[L] mutant E212Q
分子名称: Epoxide hydrolase
著者Dong, S, Xuan, J.S, Feng, Y.G, Cui, Q.
登録日2023-09-10
公開日2024-01-31
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Deciphering the stereo-specific catalytic mechanisms of cis-epoxysuccinate hydrolases producing L(+)-tartaric acid.
J.Biol.Chem., 300, 2024
7NIT
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BU of 7nit by Molmil
X-ray structure of a multidomain BbgIII from Bifidobacterium bifidum
分子名称: Beta-galactosidase, CALCIUM ION, GLYCEROL, ...
著者Moroz, O.V, Blagova, E, Lebedev, A.A, Sanchez Rodriguez, F, Rigden, D.J, Tams, J.W, Wilting, R, Vester, J.K, Longhin, E, Krogh, K.B.R, Pache, R.A, Davies, G.J, Wilson, K.S.
登録日2021-02-14
公開日2021-12-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Multitasking in the gut: the X-ray structure of the multidomain BbgIII from Bifidobacterium bifidum offers possible explanations for its alternative functions.
Acta Crystallogr D Struct Biol, 77, 2021
7YXF
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BU of 7yxf by Molmil
Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor
分子名称: 1-(2-piperazin-1-ylethyl)-5-pyridin-4-yl-indole, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ...
著者Snee, M, Katariya, M, Levy, C, Leys, D.
登録日2022-02-16
公開日2023-03-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
7NHF
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BU of 7nhf by Molmil
Crystal structure of Arabidopsis thaliana Pdx1K166R
分子名称: PHOSPHATE ION, Pyridoxal 5'-phosphate synthase subunit PDX1.3
著者Rodrigues, M.J, Zhang, Y, Bolton, R, Evans, G, Giri, N, Royant, A, Begley, T, Ealick, S.E, Tews, I.
登録日2021-02-10
公開日2021-12-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Trapping and structural characterisation of a covalent intermediate in vitamin B 6 biosynthesis catalysed by the Pdx1 PLP synthase.
Rsc Chem Biol, 3, 2022
5DL5
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BU of 5dl5 by Molmil
Crystal structure of Acinetobacter baumannii OccAB1
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Membrane protein, PHOSPHATE ION
著者Zahn, M, Basle, A, van den Berg, B.
登録日2015-09-04
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural Insights into Outer Membrane Permeability of Acinetobacter baumannii.
Structure, 24, 2016
8VGZ
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BU of 8vgz by Molmil
Influenza PA-N Endonuclease E23K Mutant (amino acids 52-74 truncation)
分子名称: MANGANESE (II) ION, Protein PA-X
著者Kohlbrand, A.J, Cohen, S.M.
登録日2023-12-30
公開日2024-02-14
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structural Studies of Inhibitors with Clinically Relevant Influenza Endonuclease Variants.
Biochemistry, 63, 2024
5HAP
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BU of 5hap by Molmil
OXA-48 beta-lactamase - S70A mutant
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, Beta-lactamase, ...
著者Stojanoski, V, Adamski, C.J, Hu, L, Mehta, S.C, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
登録日2015-12-30
公開日2016-09-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Removal of the Side Chain at the Active-Site Serine by a Glycine Substitution Increases the Stability of a Wide Range of Serine beta-Lactamases by Relieving Steric Strain.
Biochemistry, 55, 2016
7PEH
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BU of 7peh by Molmil
Crystal Structure of a Class D Carbapenemase
分子名称: 1-BUTANOL, Beta-lactamase
著者Zhou, Q, He, Y, Jin, Y.
登録日2021-08-10
公開日2022-08-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7MWI
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BU of 7mwi by Molmil
Crystal structure of human BAZ2A
分子名称: Bromodomain adjacent to zinc finger domain protein 2A, UNKNOWN ATOM OR ION
著者Liu, K, Dong, A, Li, Y, Loppnau, P, Edwards, A.M, Arrowsmith, C.H, Min, J, Structural Genomics Consortium (SGC)
登録日2021-05-17
公開日2021-12-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis of the TAM domain of BAZ2A in binding to DNA or RNA independent of methylation status.
J.Biol.Chem., 297, 2021
7NND
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BU of 7nnd by Molmil
Crystal structure of 14-3-3 sigma in complex with 13mer Amot-p130 peptide and fragment 09
分子名称: 14-3-3 protein sigma, 5-[1-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide, Amot-p130 phosphopeptide (pS175), ...
著者Centorrino, F, Ottmann, C.
登録日2021-02-24
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Fragment-based exploration of the 14-3-3/Amot-p130 interface.
Curr Res Struct Biol, 4, 2022
8VW2
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BU of 8vw2 by Molmil
Crystal Structure of Apo UDP-N-acetylmuramoylalanine--D-glutamate ligase (MurD) from E. coli (ATP bound)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2024-01-31
公開日2024-02-14
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal Structure of Apo UDP-N-acetylmuramoylalanine--D-glutamate ligase (MurD) from E. coli (ATP bound)
To be published
8VW1
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BU of 8vw1 by Molmil
Crystal Structure of Apo UDP-N-acetylmuramoylalanine--D-glutamate ligase (MurD) from E. coli (ADP bound)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2024-01-31
公開日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of Apo UDP-N-acetylmuramoylalanine--D-glutamate ligase (MurD) from E. coli (ADP bound)
To be published
7Z1G
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BU of 7z1g by Molmil
Crystal structure of nonphosphorylated (Tyr216) GSK3b in complex with CX-4945
分子名称: 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, Glycogen synthase kinase-3 beta, IMIDAZOLE, ...
著者Grygier, P, Pustelny, K, Dubin, G, Czarna, A.
登録日2022-02-24
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Crystal structure of nonphosphorylated (Tyr216) GSK3b kinase in complex with CX-4945
To Be Published
7YYE
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BU of 7yye by Molmil
Orthorombic crystal structure of YTHDF1 YTH domain (G459N mutant) form I
分子名称: 1,2-ETHANEDIOL, MALONIC ACID, YTH domain-containing family protein 1
著者Dalle Vedove, A, Cazzanelli, G, Lolli, G.
登録日2022-02-17
公開日2023-03-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Pliability in the m 6 A-Binding Region Extends Druggability of YTH Domains.
J.Chem.Inf.Model., 2024
7NNE
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BU of 7nne by Molmil
Crystal structure of 14-3-3 sigma in complex with 13mer Amot-p130 peptide and fragment 22
分子名称: 14-3-3 protein sigma, 5-[3-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide, Amot-p130 phosphopeptide (pS175), ...
著者Centorrino, F, Ottmann, C.
登録日2021-02-24
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Fragment-based exploration of the 14-3-3/Amot-p130 interface.
Curr Res Struct Biol, 4, 2022
7PDY
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BU of 7pdy by Molmil
A viral peptide from Marek's disease virus bound to chicken MHC-II molecule
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, 38 kDa phosphoprotein,MHC class II beta chain, ...
著者Goryanin, A, Cook, A.G, Kaufman, J, Halabi, S.
登録日2021-08-09
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Viral peptide bound to chicken MHC-II molecule
To Be Published
8WBN
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BU of 8wbn by Molmil
Crystal structure of cis-Epoxysuccinate Hydrolases RhCESH[L] mutant D193N
分子名称: Epoxide hydrolase, SULFATE ION
著者Dong, S, Xuan, J.S, Feng, Y.G, Cui, Q.
登録日2023-09-10
公開日2024-01-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Deciphering the stereo-specific catalytic mechanisms of cis-epoxysuccinate hydrolases producing L(+)-tartaric acid.
J.Biol.Chem., 300, 2024
7NMX
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BU of 7nmx by Molmil
Crystal structure of 14-3-3 sigma in complex with 13mer Amot-p130 peptide and fragment 12
分子名称: 14-3-3 protein sigma, Amot-p130 phosphopeptide (pS175), CALCIUM ION, ...
著者Centorrino, F, Ottmann, C.
登録日2021-02-23
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Fragment-based exploration of the 14-3-3/Amot-p130 interface.
Curr Res Struct Biol, 4, 2022
7VA1
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BU of 7va1 by Molmil
Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with GDD-04-35
分子名称: 4-[(3-ethanoylphenyl)sulfamoyl]-~{N}-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]benzamide, D-3-phosphoglycerate dehydrogenase
著者Cen, Y, Gao, D, Zhou, J, Tian, P.
登録日2021-08-27
公開日2023-03-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with GDD-04-35
To Be Published
7NMA
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BU of 7nma by Molmil
Crystal structure of 14-3-3 sigma in complex with 13mer Amot-p130 peptide
分子名称: 14-3-3 protein sigma, Amot-p130 phosphopeptide (pS175), CHLORIDE ION, ...
著者Centorrino, F, Ottmann, C.
登録日2021-02-23
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Fragment-based exploration of the 14-3-3/Amot-p130 interface.
Curr Res Struct Biol, 4, 2022
7PXR
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BU of 7pxr by Molmil
Room temperature structure of an LPMO.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, CHLORIDE ION, ...
著者Tandrup, T, Meilleur, F, Ipsen, J, Johansen, K.S, Lo Leggio, L.
登録日2021-10-08
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding.
Iucrj, 9, 2022

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件を2024-10-30に公開中

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