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7MOL
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BU of 7mol by Molmil
Crystal Structure of Arabidopsis thaliana Plant and Fungi Atypical Dual Specificity Phosphatase 1(AtPFA-DSP1 ) in complex with phosphate in conformation B (Pi(B))
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, PHOSPHATE ION, Tyrosine-protein phosphatase DSP1
著者Wang, H, Shears, S.B.
登録日2021-05-01
公開日2022-03-02
最終更新日2022-05-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A structural expose of noncanonical molecular reactivity within the protein tyrosine phosphatase WPD loop.
Nat Commun, 13, 2022
6LZB
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crystal structure of Human Methionine aminopeptidase (HsMetAP1b) in complex with AN-P2-5H-06
分子名称: 1-[(3-methoxyphenyl)methyl]-~{N}-oxidanyl-pyrrolo[2,3-b]pyridine-5-carboxamide, COBALT (II) ION, GLYCEROL, ...
著者sandeep, C.B, Addlagatta, A.
登録日2020-02-18
公開日2021-02-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Selective inhibition of Helicobacter pylori methionine aminopeptidase by azaindole hydroxamic acid derivatives: Design, synthesis, in vitro biochemical and structural studies.
Bioorg.Chem., 115, 2021
6UV7
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Crystal structure of alr1298, a pentapeptide repeat protein from Nostoc Pcc 7120, determined at 2.3 Angstrom resolution
分子名称: Alr1298 protein
著者Kennedy, M.A, Zhang, R.
登録日2019-11-01
公開日2020-03-04
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Crystal structure of Alr1298, a pentapeptide repeat protein from the cyanobacterium Nostoc sp. PCC 7120, determined at 2.1 angstrom resolution.
Proteins, 88, 2020
6ZNW
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BU of 6znw by Molmil
Methanosaeta concilii ATP citrate lyase (D541A mutant) in complex with (3S)-citryl-CoA.
分子名称: (3S)-citryl-Coenzyme A, CITRATE ANION, Citrate lyase, ...
著者Verschueren, K.H.G, Verstraete, K.
登録日2020-07-06
公開日2021-07-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.121 Å)
主引用文献Acetyl-CoA is produced by the citrate synthase homology module of ATP-citrate lyase.
Nat.Struct.Mol.Biol., 28, 2021
6ZLQ
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BU of 6zlq by Molmil
Folding of an iron binding peptide in response to sedimentation is resolved using ferritin as a nano-reactor
分子名称: FE (III) ION, Ferritin
著者Davidov, G, Abelya, G, Zalk, R, Izbicki, B, Shaibi, S, Spektor, L, Meyron Holtz, E.G, Zarivach, R, Frank, G.A.
登録日2020-07-01
公開日2021-07-14
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Folding of an Intrinsically Disordered Iron-Binding Peptide in Response to Sedimentation Revealed by Cryo-EM.
J.Am.Chem.Soc., 142, 2020
6PNM
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BU of 6pnm by Molmil
Human GSTO1-1 complexed with 2-chloro-N-(4-chloro-3-(morpholinosulfonyl)phenyl)acetamide
分子名称: 2-chloro-N-{4-chloro-3-[(morpholin-4-yl)sulfonyl]phenyl}acetamide, Glutathione S-transferase omega-1, L(+)-TARTARIC ACID, ...
著者Oakley, A.J.
登録日2019-07-02
公開日2019-07-24
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Development of Benzenesulfonamide Derivatives as Potent Glutathione Transferase Omega-1 Inhibitors.
J.Med.Chem., 63, 2020
7MOG
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BU of 7mog by Molmil
Crystal Structure of Arabidopsis thaliana Plant and Fungi Atypical Dual Specificity Phosphatase 1(AtPFA-DSP1 ) Cys150Ser in complex with 5-PCF2 Am-InsP5, an analogue of 5-InsP7
分子名称: (1,1-difluoro-2-oxo-2-{[(1s,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]amino}ethyl)phosphonic acid, Tyrosine-protein phosphatase DSP1
著者Wang, H, Shears, S.B.
登録日2021-05-01
公開日2022-03-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A structural expose of noncanonical molecular reactivity within the protein tyrosine phosphatase WPD loop.
Nat Commun, 13, 2022
6LZW
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W513A mutant of chitin-specific solute binding protein from Vibrio harveyi co-crystalized with chitobiose.
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Kitaoku, Y, Ubonbal, P, Tran, L.T, Robinson, R.C, Suginta, W.
登録日2020-02-19
公開日2021-02-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A structural model for (GlcNAc) 2 translocation via a periplasmic chitooligosaccharide-binding protein from marine Vibrio bacteria.
J.Biol.Chem., 297, 2021
8DWJ
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BU of 8dwj by Molmil
Primase of mutant bacteriophage T4 primosome with single strand DNA/RNA primer hybrid in primer exiting state
分子名称: DNA (70-MER), DNA primase, RNA(5'-ppp-GCCGA-3'), ...
著者Feng, X, Li, H.
登録日2022-08-01
公開日2023-06-14
最終更新日2023-08-23
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural basis of the T4 bacteriophage primosome assembly and primer synthesis.
Nat Commun, 14, 2023
6ZUR
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Psychrophilic aromatic amino acids aminotransferase from Psychrobacter sp. B6 cocrystalized with substrate analog - L-p-hydroxyphenyllactic acid
分子名称: (2S)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid, Aminotransferase, MAGNESIUM ION, ...
著者Bujacz, A, Rum, J, Rutkiewicz, M, Pietrzyk-Brzezinska, A.J, Bujacz, G.
登録日2020-07-23
公開日2021-07-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Structural Evidence of Active Site Adaptability towards Different Sized Substrates of Aromatic Amino Acid Aminotransferase from Psychrobacter Sp. B6.
Materials (Basel), 14, 2021
6LZT
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BU of 6lzt by Molmil
N409A mutant of chitin-specific solute binding protein from Vibrio harveyi co-crystalized with chitobiose
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, MAGNESIUM ION, ...
著者Kitaoku, Y, Ubonbal, P, Tran, L.T, Robinson, R.C, Suginta, W.
登録日2020-02-19
公開日2021-02-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.853 Å)
主引用文献A structural model for (GlcNAc) 2 translocation via a periplasmic chitooligosaccharide-binding protein from marine Vibrio bacteria.
J.Biol.Chem., 297, 2021
6PI4
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BU of 6pi4 by Molmil
Crystal structure of ATP synthase epsion chain ATP synthase epsilon chain (ATP synthase F1 sector epsilon subunit) (F-ATPase epsilon subunit) from Mycobacterium smegmatis
分子名称: ATP synthase epsilon chain, CACODYLATE ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2019-06-25
公開日2019-07-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of ATP synthase epsion chain ATP synthase epsilon chain (ATP synthase F1 sector epsilon subunit) (F-ATPase epsilon subunit) from Mycobacterium smegmatis
to be published
7M0N
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BU of 7m0n by Molmil
The crystal structure of wild type PA endonuclease (A/Vietnam/1203/2004) in complex with Raltegravir
分子名称: GLYCEROL, MANGANESE (II) ION, N-(4-fluorobenzyl)-5-hydroxy-1-methyl-2-(1-methyl-1-{[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}ethyl)-6-oxo-1,6-di hydropyrimidine-4-carboxamide, ...
著者Cuypers, M.G, Slavish, P.J, Yun, M.K, Dubois, R, Rankovic, Z, White, S.W.
登録日2021-03-11
公開日2022-03-02
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
8E7R
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BU of 8e7r by Molmil
Crystal Structure of FosB from Bacillus cereus with Zinc and Phosphonoacetate
分子名称: FORMIC ACID, MAGNESIUM ION, Metallothiol transferase FosB, ...
著者Travis, S, Tsodikov, O.V, Garneau-Tsodikova, S, Thompson, M.K.
登録日2022-08-24
公開日2023-06-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.975 Å)
主引用文献Identification and analysis of small molecule inhibitors of FosB from Staphylococcus aureus.
Rsc Med Chem, 14, 2023
6PI7
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BU of 6pi7 by Molmil
Crystal structure of the TDRD2 extended Tudor domain in complex with an antibody fragment and the PIWIL1 peptide
分子名称: Fab antigen-binding fragment, Piwi-like protein 1, Tudor and KH domain-containing protein, ...
著者Liu, K, Min, J.R, Structural Genomics Consortium (SGC)
登録日2019-06-26
公開日2019-07-24
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Lesson from a Fab-enabled co-crystallization study of TDRD2 and PIWIL1.
Methods, 175, 2020
8DML
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BU of 8dml by Molmil
Vibrio parahaemolyticus VtrA/VtrC complex bound to the bile salt chenodeoxycholate
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CHENODEOXYCHOLIC ACID, ...
著者Tomchick, D.R, Orth, K, Zou, A.J.
登録日2022-07-08
公開日2023-06-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Molecular determinants for differential activation of the bile acid receptor from the pathogen Vibrio parahaemolyticus.
J.Biol.Chem., 299, 2023
6LZQ
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BU of 6lzq by Molmil
Chitin-specific solute binding protein from Vibrio harveyi in complex with chitotriose.
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, CALCIUM ION, ...
著者Kitaoku, Y, Ubonbal, P, Tran, L.T, Robinson, R.C, Suginta, W.
登録日2020-02-19
公開日2021-02-24
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A structural model for (GlcNAc) 2 translocation via a periplasmic chitooligosaccharide-binding protein from marine Vibrio bacteria.
J.Biol.Chem., 297, 2021
6ZWK
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BU of 6zwk by Molmil
Crystal structure of the phosphorylated C-terminal tail of histone H2AX in complex with a specific nanobody (C6 gammaXbody)
分子名称: CHLORIDE ION, Histone H2AX, SODIUM ION, ...
著者McEwen, A.G, Moeglin, E, Desplancq, D, Weiss, E, Poterszman, A.
登録日2020-07-28
公開日2021-07-21
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献A Novel Nanobody Precisely Visualizes Phosphorylated Histone H2AX in Living Cancer Cells under Drug-Induced Replication Stress.
Cancers (Basel), 13, 2021
7MOK
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BU of 7mok by Molmil
Crystal Structure of Arabidopsis thaliana Plant and Fungi Atypical Dual Specificity Phosphatase 1(AtPFA-DSP1 ) in Complex with Phosphate in Conformation A (Pi(A))
分子名称: BETA-MERCAPTOETHANOL, PHOSPHATE ION, Tyrosine-protein phosphatase DSP1
著者Wang, H, Shears, S.B.
登録日2021-05-01
公開日2022-03-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A structural expose of noncanonical molecular reactivity within the protein tyrosine phosphatase WPD loop.
Nat Commun, 13, 2022
6UVK
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BU of 6uvk by Molmil
OXA-48 bound by inhibitor CDD-97
分子名称: 1,2-ETHANEDIOL, 1-{4-[4-(2-ethoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl}piperidine-4-carboxylic acid, Beta-lactamase, ...
著者Taylor, D.M, Hu, L, Prasad, B.V.V, Sankaran, B, Palzkill, T.G.
登録日2019-11-02
公開日2020-05-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Identifying Oxacillinase-48 Carbapenemase Inhibitors Using DNA-Encoded Chemical Libraries.
Acs Infect Dis., 6, 2020
6ZOI
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A lid blocking mechanism of a cone snail toxin revealed at the atomic level
分子名称: Conknunitzin-C3 mutante
著者Saikia, C, Altman-Gueta, H, Dym, O, Frolow, F, Gurevitz, M, Gordon, D, Reuveny, E, Karbat, I.
登録日2020-07-07
公開日2021-07-14
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献A lid blocking mechanism of a cone snail toxin revealed at the atomic level
To Be Published
6LZC
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BU of 6lzc by Molmil
crystal structure of Human Methionine aminopeptidase (HsMetAP1b) in complex with KV-P2-4H-05
分子名称: COBALT (II) ION, GLYCEROL, MAGNESIUM ION, ...
著者Sandeep, C.B, Addlagatta, A.
登録日2020-02-18
公開日2021-02-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Selective inhibition of Helicobacter pylori methionine aminopeptidase by azaindole hydroxamic acid derivatives: Design, synthesis, in vitro biochemical and structural studies.
Bioorg.Chem., 115, 2021
7MOI
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Crystal Structure of Arabidopsis thaliana Plant and Fungi Atypical Dual Specificity Phosphatase 1(AtPFA-DSP1 ) Cys150Ser in complex with Phenyl Phosphate
分子名称: PHENYL DIHYDROGEN PHOSPHATE, Tyrosine-protein phosphatase DSP1
著者Wang, H, Shears, S.B.
登録日2021-05-01
公開日2022-03-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A structural expose of noncanonical molecular reactivity within the protein tyrosine phosphatase WPD loop.
Nat Commun, 13, 2022
8E3K
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Human PU.1 ETS-Domain (165-270) Bound to d(AATAAGCGGAAGTGGG)
分子名称: DNA (5'-D(*AP*AP*TP*AP*AP*GP*CP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*GP*CP*TP*TP*AP*T)-3'), SODIUM ION, ...
著者Terrell, J.R, Poon, G.M.K.
登録日2022-08-17
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023
6PCK
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Crystal structure of human diphosphoinositol polyphosphate phosphohydrolase 1 in complex with 1-IP7
分子名称: (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, ...
著者Dollins, D.E, Neubauer, J, Dong, J, York, J.D.
登録日2019-06-17
公開日2020-04-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Vip1 is a kinase and pyrophosphatase switch that regulates inositol diphosphate signaling.
Proc.Natl.Acad.Sci.USA, 117, 2020

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