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7ATQ
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Structure of EstD11 in complex with cyclohexane carboxylic acid
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 (1.59 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
7AT4
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Structure of EstD11 in complex with Naproxen
分子名称: (2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid, EstD11, FORMIC ACID
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 (1.7 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
7AUY
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Structure of EstD11 in complex with Fluorescein
分子名称: EstD11, FLUORESCIN, FORMIC ACID
著者Miguel-Ruano, V, Rivera, I, Hermoso, J.A.
登録日2020-11-03
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.28 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
5F48
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Crystal structure of an aminoglycoside acetyltransferase meta-AAC0020 from an uncultured soil metagenomic sample in complex with coenzyme A
分子名称: CHLORIDE ION, COENZYME A, MAGNESIUM ION, ...
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2015-12-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural and Functional Survey of Environmental Aminoglycoside Acetyltransferases Reveals Functionality of Resistance Enzymes.
ACS Infect Dis, 3, 2017
7AT2
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BU of 7at2 by Molmil
Crystal structure of inactive EstD11 S144A
分子名称: EstD11 S144A
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 (1.44 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
5LW5
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BU of 5lw5 by Molmil
TURNIP YELLOW MOSAIC VIRUS PROTEASE/DEUBIQUITINASE DOMAIN, DELTAC5 MUTANT
分子名称: RNA replicase polyprotein
著者Ayach, M, Bressanelli, S.
登録日2016-09-15
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.649 Å)
主引用文献A mobile loop near the active site acts as a switch between the dual activities of a viral protease/deubiquitinase.
PLoS Pathog., 13, 2017
6SKM
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BU of 6skm by Molmil
Structure of the native full-length HIV-1 capsid protein A92E in helical assembly (-13,12)
分子名称: Gag protein
著者Ni, T, Gerard, S, Zhao, G, Ning, J, Zhang, P.
登録日2019-08-16
公開日2020-08-26
最終更新日2022-03-30
実験手法ELECTRON MICROSCOPY (4.9 Å)
主引用文献Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A.
Nat.Struct.Mol.Biol., 27, 2020
7AT3
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Structure of EstD11 in complex with Naproxen and methanol
分子名称: (2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid, EstD11, FORMIC ACID, ...
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 (1.4 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
7ATD
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Structure of inactive EstD11 S144A in complex with methyl-naproxen
分子名称: ACETATE ION, EstD11 S144A, FORMIC ACID, ...
著者Miguel-Ruano, V, Rivera, I, Hermoso, J.A.
登録日2020-10-29
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 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
4EHH
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BU of 4ehh by Molmil
Allosteric Modulation of Caspase-3 through Mutagenesis
分子名称: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3
著者Walters, J, Schipper, J.L, Swartz, P.D, Mattos, C, Clark, A.C.
登録日2012-04-02
公開日2012-06-06
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Allosteric modulation of caspase 3 through mutagenesis.
Biosci.Rep., 32, 2012
6SLB
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Crystal structure of isomerase PaaG with trans-3,4-didehydroadipyl-CoA
分子名称: (~{E})-6-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-6-oxidanylidene-hex-3-enoic acid, Enoyl-CoA hydratase/carnithine racemase
著者Saleem-Batcha, R, Spieker, M, Teufel, R.
登録日2019-08-19
公開日2019-12-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structural and Mechanistic Basis of an Oxepin-CoA Forming Isomerase in Bacterial Primary and Secondary Metabolism.
Acs Chem.Biol., 14, 2019
6SLQ
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BU of 6slq by Molmil
Structure of the native full-length HIV-1 capsid protein A92E in helical assembly (-12,11)
分子名称: Gag protein
著者Ni, T, Gerard, S, Zhao, G, Ning, J, Zhang, P.
登録日2019-08-20
公開日2020-09-09
最終更新日2022-03-30
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A.
Nat.Struct.Mol.Biol., 27, 2020
7KS6
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BU of 7ks6 by Molmil
STRUCTURE OF TETRASACCHARIDE BUILDING BLOCK OF A SULFATED FUCAN FROM LYTECHINUS VARIEGATUS
分子名称: 4-O-sulfo-alpha-L-fucopyranose-(1-3)-2,4-di-O-sulfo-alpha-L-fucopyranose-(1-3)-2-O-sulfo-alpha-L-fucopyranose-(1-3)-2-O-sulfo-alpha-L-fucopyranose
著者Kim, S.B, Thara, R, Aderibigbe, A.O, Doerksen, R.J, Pomin, V.H.
登録日2020-11-21
公開日2020-12-16
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Conformational properties of l-fucose and the tetrasaccharide building block of the sulfated l-fucan from Lytechinus variegatus.
J.Struct.Biol., 209, 2020
6SOX
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BU of 6sox by Molmil
Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with 4-carbamoylbenzoic acid
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-aminocarbonylbenzoic acid, DIMETHYL SULFOXIDE, ...
著者Oebbeke, M, Siefker, C, Heine, A, Klebe, G.
登録日2019-08-30
公開日2020-09-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts.
Angew.Chem.Int.Ed.Engl., 60, 2021
5LZB
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BU of 5lzb by Molmil
Structure of SelB-Sec-tRNASec bound to the 70S ribosome in the initial binding state (IB)
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Fischer, N, Neumann, P, Bock, L.V, Maracci, C, Wang, Z, Paleskava, A, Konevega, A.L, Schroeder, G.F, Grubmueller, H, Ficner, R, Rodnina, M.V, Stark, H.
登録日2016-09-29
公開日2016-11-23
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (5.3 Å)
主引用文献The pathway to GTPase activation of elongation factor SelB on the ribosome.
Nature, 540, 2016
4XOZ
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BU of 4xoz by Molmil
Crystal structure of ERK2 in complex with an inhibitor
分子名称: Mitogen-activated protein kinase 1, N~1~-[3-(benzyloxy)benzyl]-1H-tetrazole-1,5-diamine, SULFATE ION
著者Gelin, M, Allemand, F, Labesse, G, Guichou, J.F.
登録日2015-01-16
公開日2015-08-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 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
5EYA
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BU of 5eya by Molmil
TRIM25 RING domain in complex with Ubc13-Ub conjugate
分子名称: Polyubiquitin-B, Tripartite motif-containing 25 variant, Ubiquitin-conjugating enzyme E2 N, ...
著者Pornillos, O, Sanchez, J.G.
登録日2015-11-24
公開日2016-08-17
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Mechanism of TRIM25 Catalytic Activation in the Antiviral RIG-I Pathway.
Cell Rep, 16, 2016
6SA0
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BU of 6sa0 by Molmil
Ternary complex of Prim-PolC from Mycobacterium smegmatis with 2nt gapped DNA and UpNHpp
分子名称: 1,2-ETHANEDIOL, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine, CACODYLATE ION, ...
著者Brissett, N.C, Doherty, A.J.
登録日2019-07-15
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.209 Å)
主引用文献Molecular basis for DNA repair synthesis on short gaps by mycobacterial Primase-Polymerase C.
Nat Commun, 11, 2020
4XZ3
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BU of 4xz3 by Molmil
Ca. Korarchaeum cryptofilum dinucleotide forming Acetyl-coenzyme A synthetase 1 (Se-Met derivative) in complex with coenzyme A and Mg-AMPPCP, phosphohistidine segment pointing towards nucleotide binding site
分子名称: Acyl-CoA synthetase (NDP forming), COENZYME A, MAGNESIUM ION, ...
著者Weisse, R.H.-J, Scheidig, A.J.
登録日2015-02-03
公開日2016-01-27
最終更新日2016-02-10
実験手法X-RAY DIFFRACTION (2.398 Å)
主引用文献Structure of NDP-forming Acetyl-CoA synthetase ACD1 reveals a large rearrangement for phosphoryl transfer.
Proc.Natl.Acad.Sci.USA, 113, 2016
2UUI
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BU of 2uui by Molmil
Crystal structure of Human Leukotriene C4 Synthase
分子名称: DODECYL-BETA-D-MALTOSIDE, LEUKOTRIENE C4 SYNTHASE, NICKEL (II) ION, ...
著者Martinez Molina, D, Wetterholm, A, Kohl, A, McCarthy, A.A, Niegowski, D, Ohlson, E, Hammarberg, T, Eshaghi, S, Haeggstrom, J.Z, Nordlund, P.
登録日2007-03-02
公開日2007-07-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis for Synthesis of Inflammatory Mediators by Human Leukotriene C4 Synthase.
Nature, 448, 2007
5EXS
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BU of 5exs by Molmil
AAA+ ATPase FleQ from Pseudomonas aeruginosa bound to ATP-gamma-S
分子名称: PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Transcriptional regulator FleQ
著者Navarro, M.V.A.S, Sondermann, H, Matsuyama, B.
登録日2015-11-24
公開日2016-01-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 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
4XI8
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BU of 4xi8 by Molmil
Crystal Structure of the FIC domain of Bep5 protein (VirB-translocated Bartonella effector protein) from Bartonella clarridgeiae
分子名称: 1,2-ETHANEDIOL, Bartonella effector protein (Bep) substrate of VirB T4SS
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2015-01-06
公開日2016-01-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Evolutionary Diversification of Host-Targeted Bartonella Effectors Proteins Derived from a Conserved FicTA Toxin-Antitoxin Module.
Microorganisms, 9, 2021
4Y23
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BU of 4y23 by Molmil
Crystal structure of T399A precursor mutant protein of gamma-glutamyl transpeptidase from Bacillus licheniformis
分子名称: Gamma glutamyl transpeptidase,Gamma-glutamyltranspeptidase, SODIUM ION
著者Pica, A, Merlino, A.
登録日2015-02-09
公開日2015-11-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献The maturation mechanism of gamma-glutamyl transpeptidases: Insights from the crystal structure of a precursor mimic of the enzyme from Bacillus licheniformis and from site-directed mutagenesis studies.
Biochim.Biophys.Acta, 1864, 2015
5LSD
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BU of 5lsd by Molmil
recombinant mouse Nerve Growth Factor
分子名称: Beta-nerve growth factor
著者Paoletti, F, de Chiara, C, Kelly, G, Lamba, D, Cattaneo, A, Pastore, A.
登録日2016-08-25
公開日2017-07-05
最終更新日2024-07-03
実験手法SOLUTION NMR
主引用文献Conformational Rigidity within Plasticity Promotes Differential Target Recognition of Nerve Growth Factor.
Front Mol Biosci, 3, 2016
7VH9
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Solution structure of the chimeric peptide of the first SURP domain of Human SF3A1 and the interacting region of SF1.
分子名称: Splicing factor 3A subunit 1,Splicing factor 1
著者Muto, Y, Kuwasako, K, Takizawa, M, Kobayashi, N, Sakamoto, T.
登録日2021-09-21
公開日2022-09-28
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural basis for the interaction between the first SURP domain of the SF3A1 subunit in U2 snRNP and the human splicing factor SF1.
Protein Sci., 31, 2022

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