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7ACL
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BU of 7acl by Molmil
Crystal structure of E. coli HTH-type transcriptional regulator RcdA at 2.05 A resolution
分子名称: DI(HYDROXYETHYL)ETHER, HTH-type transcriptional regulator RcdA
著者Pietrzyk-Brzezinska, A.J, Cociurovscaia, A.
登録日2020-09-11
公開日2021-08-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.049 Å)
主引用文献Structures of the TetR-like transcription regulator RcdA alone and in complexes with ligands.
Proteins, 90, 2022
7ACM
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Crystal structure of E. coli HTH-type transcriptional regulator RcdA in complex with TMAO at 1.76 A resolution
分子名称: HTH-type transcriptional regulator RcdA, trimethylamine oxide
著者Pietrzyk-Brzezinska, A.J, Cociurovscaia, A.
登録日2020-09-11
公開日2021-08-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.763 Å)
主引用文献Structures of the TetR-like transcription regulator RcdA alone and in complexes with ligands.
Proteins, 90, 2022
6SCH
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BU of 6sch by Molmil
NADH-dependent variant of CBADH
分子名称: MAGNESIUM ION, NADP-dependent isopropanol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Selles Vidal, L, Murray, J.W, Heap, J.T.
登録日2019-07-24
公開日2020-08-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Versatile selective evolutionary pressure using synthetic defect in universal metabolism.
Nat Commun, 12, 2021
7ATJ
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BU of 7atj by Molmil
RECOMBINANT HORSERADISH PEROXIDASE C1A COMPLEX WITH CYANIDE AND FERULIC ACID
分子名称: 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, CALCIUM ION, CYANIDE ION, ...
著者Henriksen, A, Smith, A.T, Gajhede, M.
登録日1999-04-26
公開日2000-01-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献The structures of the horseradish peroxidase C-ferulic acid complex and the ternary complex with cyanide suggest how peroxidases oxidize small phenolic substrates.
J.Biol.Chem., 274, 1999
7K4H
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BU of 7k4h by Molmil
Human Arginase 1 in complex with compound 04.
分子名称: 3-[(1~{R},5~{S},8~{R})-5-carboxy-2,6-diazabicyclo[3.2.1]octan-8-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, MANGANESE (II) ION
著者Palte, R.L.
登録日2020-09-15
公開日2021-12-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Comprehensive Strategies to Bicyclic Prolines: Applications in the Synthesis of Potent Arginase Inhibitors.
Acs Med.Chem.Lett., 12, 2021
7K4J
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BU of 7k4j by Molmil
Human Arginase 1 in complex with compound 51.
分子名称: 3-[(1~{S},2~{S},5~{R})-2-carboxy-3,6-diazabicyclo[3.2.0]heptan-1-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, MANGANESE (II) ION
著者Palte, R.L.
登録日2020-09-15
公開日2021-12-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Comprehensive Strategies to Bicyclic Prolines: Applications in the Synthesis of Potent Arginase Inhibitors.
Acs Med.Chem.Lett., 12, 2021
7VMD
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BU of 7vmd by Molmil
Crystal structure of a hydrolases Ple628 from marine microbial consortium
分子名称: CALCIUM ION, hydrolase Ple628
著者Wu, P, Zhao, Y.P, Li, Z.S, Ingrid, M.C, Lara, P, Gao, J, Han, X, Li, Q, Basak, O, Liu, W.D, Wei, R.
登録日2021-10-08
公開日2022-08-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Molecular and Biochemical Differences of the Tandem and Cold-Adapted PET Hydrolases Ple628 and Ple629, Isolated From a Marine Microbial Consortium.
Front Bioeng Biotechnol, 10, 2022
7K4G
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Human Arginase 1 in complex with compound 01.
分子名称: 3-[(2~{S},3~{R})-2-carboxypyrrolidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, MANGANESE (II) ION
著者Palte, R.L.
登録日2020-09-15
公開日2021-12-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Comprehensive Strategies to Bicyclic Prolines: Applications in the Synthesis of Potent Arginase Inhibitors.
Acs Med.Chem.Lett., 12, 2021
4XN6
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BU of 4xn6 by Molmil
Crystal structure at room temperature of hen-egg lysozyme in complex with benzamidine
分子名称: BENZAMIDINE, Lysozyme C
著者Gelin, M, Allemand, F, Labesse, G, Guichou, J.F.
登録日2015-01-15
公開日2015-08-12
最終更新日2021-08-04
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
7K4K
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BU of 7k4k by Molmil
Human Arginase 1 in complex with compound 52.
分子名称: 3-[(3~{a}~{S},4~{S},6~{a}~{R})-4-carboxy-2,3,4,5,6,6~{a}-hexahydro-1~{H}-pyrrolo[2,3-c]pyrrol-3~{a}-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, MANGANESE (II) ION
著者Palte, R.L.
登録日2020-09-15
公開日2021-12-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Comprehensive Strategies to Bicyclic Prolines: Applications in the Synthesis of Potent Arginase Inhibitors.
Acs Med.Chem.Lett., 12, 2021
7AH1
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BU of 7ah1 by Molmil
L19 diabody fragment from immunocytokine L19-IL2
分子名称: Anti-(ED-B) scFV
著者Ongaro, T, Guarino, S.R, Scietti, L, Palamini, M, Wulhfard, S, Villa, A, Neri, D, Forneris, F.
登録日2020-09-23
公開日2021-02-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Inference of molecular structure for characterization and improvement of clinical grade immunocytokines.
J.Struct.Biol., 213, 2021
4XDO
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BU of 4xdo by Molmil
Crystal structure of human KDM4C catalytic domain with OGA
分子名称: 1,2-ETHANEDIOL, FE (III) ION, Lysine-specific demethylase 4C, ...
著者Swinger, K.K, Boriack-Sjodin, P.A.
登録日2014-12-19
公開日2015-03-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献A High-Throughput Mass Spectrometry Assay Coupled with Redox Activity Testing Reduces Artifacts and False Positives in Lysine Demethylase Screening.
J Biomol Screen, 20, 2015
6SJV
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BU of 6sjv by Molmil
Structure of HPV18 E6 oncoprotein in complex with mutant E6AP LxxLL motif
分子名称: Maltodextrin-binding protein,Protein E6,Ubiquitin-protein ligase E3A, ZINC ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Suarez, I.P, Cousido-Siah, A, Bonhoure, A, Kostmann, C, Mitschler, A, Podjarny, A, Trave, G.
登録日2019-08-14
公開日2019-09-04
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.029 Å)
主引用文献Cellular target recognition by HPV18 and HPV49 oncoproteins
To be published
5EXP
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BU of 5exp by Molmil
AAA+ domain of FleQ from Pseudomonas aeruginosa
分子名称: 1,2-ETHANEDIOL, SULFATE ION, Transcriptional regulator FleQ
著者Navarro, M.V.A.S, Sondermann, H, Matsuyama, B.Y.
登録日2015-11-24
公開日2016-01-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Mechanistic insights into c-di-GMP-dependent control of the biofilm regulator FleQ from Pseudomonas aeruginosa.
Proc.Natl.Acad.Sci.USA, 113, 2016
6SO2
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BU of 6so2 by Molmil
Fragment N13460a in complex with MAP kinase p38-alpha
分子名称: CHLORIDE ION, MAGNESIUM ION, Mitogen-activated protein kinase 14, ...
著者Nichols, C.E, De Nicola, G.F.
登録日2019-08-28
公開日2019-10-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
6SPL
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BU of 6spl by Molmil
Fragment KCL615 in complex with MAP kinase p38-alpha
分子名称: (5~{S},7~{R})-3-azanyladamantan-1-ol, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, CALCIUM ION, ...
著者Nichols, C.E, De Nicola, G.F.
登録日2019-09-01
公開日2019-10-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5LC7
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BU of 5lc7 by Molmil
Crystal structure of a single chain monellin mutant: E23Q/Q28K/C41S/Y65R-MNEI
分子名称: Monellin chain B,Monellin chain A
著者Pica, A, Merlino, A.
登録日2016-06-19
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Sweeter and stronger: enhancing sweetness and stability of the single chain monellin MNEI through molecular design.
Sci Rep, 6, 2016
7AOE
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BU of 7aoe by Molmil
Schizosaccharomyces pombe RNA polymerase I (elongation complex)
分子名称: DNA-directed RNA polymerase I subunit RPA12, DNA-directed RNA polymerase I subunit rpa1, DNA-directed RNA polymerase I subunit rpa14, ...
著者Heiss, F, Daiss, J, Becker, P, Engel, C.
登録日2020-10-14
公開日2021-02-24
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Conserved strategies of RNA polymerase I hibernation and activation.
Nat Commun, 12, 2021
7ATF
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BU of 7atf by Molmil
Structure of EstD11 in complex with p-Nitrophenol
分子名称: ACETATE ION, EstD11, FORMIC ACID, ...
著者Miguel-Ruano, V, Rivera, I, Hermoso, J.A.
登録日2020-10-30
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Biochemical and Structural Characterization of a novel thermophilic esterase EstD11 provide catalytic insights for the HSL family.
Comput Struct Biotechnol J, 19, 2021
7AOC
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BU of 7aoc by Molmil
Schizosaccharomyces pombe RNA polymerase I (monomer)
分子名称: DNA-directed RNA polymerase I subunit RPA12, DNA-directed RNA polymerase I subunit rpa1, DNA-directed RNA polymerase I subunit rpa14, ...
著者Heiss, F, Daiss, J, Becker, P, Engel, C.
登録日2020-10-14
公開日2021-02-24
実験手法ELECTRON MICROSCOPY (3.84 Å)
主引用文献Conserved strategies of RNA polymerase I hibernation and activation.
Nat Commun, 12, 2021
7AV5
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BU of 7av5 by Molmil
Structure of EstD11 in complex with Fluorescein
分子名称: ACETATE ION, EstD11, FLUORESCIN, ...
著者Miguel-Ruano, V, Rivera, I, Hermoso, J.A.
登録日2020-11-04
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Biochemical and Structural Characterization of a novel thermophilic esterase EstD11 provide catalytic insights for the HSL family.
Comput Struct Biotechnol J, 19, 2021
7AOD
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BU of 7aod by Molmil
Schizosaccharomyces pombe RNA polymerase I (dimer)
分子名称: DNA-directed RNA polymerase I subunit RPA12, DNA-directed RNA polymerase I subunit rpa1, DNA-directed RNA polymerase I subunit rpa14, ...
著者Heiss, F, Daiss, J, Becker, P, Engel, C.
登録日2020-10-14
公開日2021-02-24
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Conserved strategies of RNA polymerase I hibernation and activation.
Nat Commun, 12, 2021
7AT0
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BU of 7at0 by Molmil
Structure of the Hormone-Sensitive Lipase like EstD11
分子名称: EstD11, FORMIC ACID, PHENOL
著者Miguel-Ruano, V, Rivera, I, Hermoso, J.A.
登録日2020-10-28
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Biochemical and Structural Characterization of a novel thermophilic esterase EstD11 provide catalytic insights for the HSL family.
Comput Struct Biotechnol J, 19, 2021
2WNL
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BU of 2wnl by Molmil
CRYSTAL STRUCTURE OF APLYSIA ACHBP IN COMPLEX WITH ANABASEINE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,4,5,6-tetrahydro-2,3'-bipyridine, 5-amino-1-pyridin-3-ylpentan-1-one, ...
著者Sulzenbacher, G, Hibbs, R, Shi, J, Talley, T, Conrod, S, Kem, W, Taylor, P, Marchot, P, Bourne, Y.
登録日2009-07-09
公開日2009-09-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural determinants for interaction of partial agonists with acetylcholine binding protein and neuronal alpha7 nicotinic acetylcholine receptor.
EMBO J., 28, 2009
5F46
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BU of 5f46 by Molmil
Crystal structure of an aminoglycoside acetyltransferase meta-AAC0020 from an uncultured soil metagenomic sample, apoenzyme form
分子名称: CHLORIDE ION, aminoglycoside acetyltransferase meta-AAC0020
著者Xu, Z, Skarina, T, Stogios, P.J, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2015-12-03
公開日2015-12-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural and Functional Survey of Environmental Aminoglycoside Acetyltransferases Reveals Functionality of Resistance Enzymes.
ACS Infect Dis, 3, 2017

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