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5L8S
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The crystal structure of a cold-adapted acylaminoacyl peptidase reveals a novel quaternary architecture based on the arm-exchange mechanism
分子名称: Amino acyl peptidase, SULFATE ION
著者Brocca, S, Ferrari, C, Barbiroli, A, Pesce, A, Lotti, M, Nardini, M.
登録日2016-06-08
公開日2016-11-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A bacterial acyl aminoacyl peptidase couples flexibility and stability as a result of cold adaptation.
FEBS J., 283, 2016
6GGF
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Structure of the p53 cancer mutant Y220C in complex with small-molecule stabilizer PK9328
分子名称: Cellular tumor antigen p53, GLYCEROL, ZINC ION, ...
著者Joerger, A.C, Bauer, M.R.
登録日2018-05-03
公開日2019-05-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.32000017 Å)
主引用文献A structure-guided molecular chaperone approach for restoring the transcriptional activity of the p53 cancer mutant Y220C.
Future Med Chem, 11, 2019
7U2H
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Crystal structure of the Thermus thermophilus 70S ribosome in complex with mRNA, aminoacylated A-site Gly-NH-tRNAgly, aminoacylated P-site fMet-NH-tRNAmet, and deacylated E-site tRNAgly at 2.55A resolution
分子名称: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
著者Syroegin, E.A, Aleksandrova, E.V, Polikanov, Y.S.
登録日2022-02-24
公開日2022-07-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural basis for the inability of chloramphenicol to inhibit peptide bond formation in the presence of A-site glycine.
Nucleic Acids Res., 50, 2022
5FBN
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BTK kinase domain with inhibitor 1
分子名称: 1,2-ETHANEDIOL, 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-[8-azanyl-3-[(3~{R})-1-(3-methyloxetan-3-yl)carbonylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-[4-(trifluoromethyl)pyridin-2-yl]benzamide, ...
著者Raaijmakers, H.C.A, Vu-Pham, D.
登録日2015-12-14
公開日2016-02-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of 8-Amino-imidazo[1,5-a]pyrazines as Reversible BTK Inhibitors for the Treatment of Rheumatoid Arthritis.
Acs Med.Chem.Lett., 7, 2016
8VAL
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Structure of the E. coli clamp loader bound to the beta clamp in a Open-DNAp/t conformation
分子名称: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Beta sliding clamp, ...
著者Landeck, J.T, Kelch, B.A.
登録日2023-12-11
公開日2024-03-27
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Differences between bacteria and eukaryotes in clamp loader mechanism, a conserved process underlying DNA replication.
J.Biol.Chem., 300, 2024
5JNP
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Crystal structure of a rice (Oryza Sativa) cellulose synthase plant conserved region (P-CR)
分子名称: CITRATE ANION, GLYCEROL, PHOSPHATE ION, ...
著者Rushton, P.S, Olek, A.T, Makowski, L, Badger, J, Steussy, C.N, Carpita, N.C, Stauffacher, C.V.
登録日2016-04-30
公開日2016-12-28
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (2.404 Å)
主引用文献Rice Cellulose SynthaseA8 Plant-Conserved Region Is a Coiled-Coil at the Catalytic Core Entrance.
Plant Physiol., 173, 2017
8VAQ
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Structure of the E. coli clamp loader bound to the beta clamp in a Closed-DNA1 conformation
分子名称: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Beta sliding clamp, ...
著者Landeck, J.T, Kelch, B.A.
登録日2023-12-11
公開日2024-03-27
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Differences between bacteria and eukaryotes in clamp loader mechanism, a conserved process underlying DNA replication.
J.Biol.Chem., 300, 2024
7U2I
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BU of 7u2i by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with mRNA, aminoacylated A-site Gly-NH-tRNAgly, aminoacylated P-site fMet-NH-tRNAmet, deacylated E-site tRNAgly, and chloramphenicol at 2.55A resolution
分子名称: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
著者Syroegin, E.A, Aleksandrova, E.V, Polikanov, Y.S.
登録日2022-02-24
公開日2022-07-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural basis for the inability of chloramphenicol to inhibit peptide bond formation in the presence of A-site glycine.
Nucleic Acids Res., 50, 2022
7U2J
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BU of 7u2j by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with mRNA, aminoacylated A-site Gly-NH-tRNAgly, peptidyl P-site fMAC-NH-tRNAmet, deacylated E-site tRNAgly, and chloramphenicol at 2.55A resolution
分子名称: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
著者Syroegin, E.A, Aleksandrova, E.V, Polikanov, Y.S.
登録日2022-02-24
公開日2022-07-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural basis for the inability of chloramphenicol to inhibit peptide bond formation in the presence of A-site glycine.
Nucleic Acids Res., 50, 2022
6VFS
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BU of 6vfs by Molmil
ClpXP from Neisseria meningitidis - Conformation A
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent Clp protease ATP-binding subunit ClpX, ...
著者Ripstein, Z.A, Vahidi, S, Houry, W.A, Rubinstein, J.L, Kay, L.E.
登録日2020-01-06
公開日2020-01-22
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献A processive rotary mechanism couples substrate unfolding and proteolysis in the ClpXP degradation machinery.
Elife, 9, 2020
6UZV
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The structure of a red shifted photosystem I complex
分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
著者Toporik, H, Williams, D, Chiu, P.L, Mazor, Y.
登録日2019-11-15
公開日2020-09-16
最終更新日2020-11-04
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献The structure of a red-shifted photosystem I reveals a red site in the core antenna.
Nat Commun, 11, 2020
6GQX
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BU of 6gqx by Molmil
KRAS-169 Q61H GPPNHP + CH-2
分子名称: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H.
登録日2018-06-08
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6I7D
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BU of 6i7d by Molmil
Plasmodium falciparum Myosin A, post-rigor and rigor-like states
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Myosin-A
著者Robert-Paganin, J, Auguin, D, Moussaoui, D, Jousset, G, Baum, J, Trybus, K.M, Houdusse, A.
登録日2018-11-16
公開日2019-08-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Plasmodium myosin A drives parasite invasion by an atypical force generating mechanism.
Nat Commun, 10, 2019
5LKS
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BU of 5lks by Molmil
Structure-function insights reveal the human ribosome as a cancer target for antibiotics
分子名称: 18S ribosomal RNA, 28S ribosomal RNA, 4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione, ...
著者Myasnikov, A.G, Natchiar, S.K, Nebout, M, Hazemann, I, Imbert, V, Khatter, H, Peyron, J.-F, Klaholz, B.P.
登録日2016-07-23
公開日2017-04-26
最終更新日2019-12-11
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structure-function insights reveal the human ribosome as a cancer target for antibiotics.
Nat Commun, 7, 2016
6RV2
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BU of 6rv2 by Molmil
Crystal structure of the human two pore domain potassium ion channel TASK-1 (K2P3.1) in a closed conformation
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL HEMISUCCINATE, DECYL-BETA-D-MALTOPYRANOSIDE, ...
著者Rodstrom, K.E.J, Pike, A.C.W, Zhang, W, Quigley, A, Speedman, D, Mukhopadhyay, S.M.M, Shrestha, L, Chalk, R, Venkaya, S, Bushell, S.R, Tessitore, A, Burgess-Brown, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC)
登録日2019-05-30
公開日2019-08-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A lower X-gate in TASK channels traps inhibitors within the vestibule.
Nature, 582, 2020
8VAR
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BU of 8var by Molmil
Structure of the E. coli clamp loader bound to the beta clamp in a Closed-DNA2 conformation
分子名称: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Beta sliding clamp, ...
著者Landeck, J.T, Kelch, B.A.
登録日2023-12-11
公開日2024-03-27
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Differences between bacteria and eukaryotes in clamp loader mechanism, a conserved process underlying DNA replication.
J.Biol.Chem., 300, 2024
5IY5
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BU of 5iy5 by Molmil
Electron transfer complex of cytochrome c and cytochrome c oxidase at 2.0 angstrom resolution
分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
著者Shimada, S, Baba, J, Aoe, S, Shimada, A, Yamashita, E, Tsukihara, T.
登録日2016-03-24
公開日2017-01-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Complex structure of cytochrome c-cytochrome c oxidase reveals a novel protein-protein interaction mode
EMBO J., 36, 2017
6RVH
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NADH-dependent Coenzyme A Disulfide Reductase soaked with Menadione
分子名称: COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, MENADIONE, ...
著者Koepke, J, Preu, J.
登録日2019-05-31
公開日2019-09-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Characterization and X-ray structure of the NADH-dependent coenzyme A disulfide reductase from Thermus thermophilus.
Biochim Biophys Acta Bioenerg, 1860, 2019
6RUZ
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NADH-dependent Coenzyme A Disulfide Reductase
分子名称: COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, NADH oxidase
著者Koepke, J, Preu, J.
登録日2019-05-29
公開日2019-09-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Characterization and X-ray structure of the NADH-dependent coenzyme A disulfide reductase from Thermus thermophilus.
Biochim Biophys Acta Bioenerg, 1860, 2019
6RFN
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BU of 6rfn by Molmil
Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-1018
分子名称: 3-[5-[(4~{a}~{R},8~{a}~{S})-4-oxidanylidene-3-propan-2-yl-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-(3-methoxyphenyl)prop-2-ynamide, FORMIC ACID, GLYCEROL, ...
著者Singh, A.K, Brown, D.G.
登録日2019-04-15
公開日2019-07-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors (Part 2).
Bioorg.Med.Chem., 27, 2019
6HW1
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ROOM TEMPERATURE STRUCTURE OF LIPASE FROM T. LANUGINOSA AT 2.5 A RESOLUTION IN CHIPX MICROFLUIDIC DEVICE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Lipase, MAGNESIUM ION, ...
著者Gavira, J.A, Fernadez-Penas, R, Martinez-Rodriguez, S, Verdugo-Escamilla, C.
登録日2018-10-11
公開日2018-10-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A simple and versatile microfluidic device for efficient biomacromolecule crystallization and structural analysis by serial crystallography.
Iucrj, 6, 2019
6TVB
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Crystal structure of the haemagglutinin from a transmissible H10N7 seal influenza virus isolated in Netherland in complex with human receptor analogue 6'-SLN
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, ...
著者Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J.
登録日2020-01-09
公開日2020-10-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals.
Cell Host Microbe, 28, 2020
6UJ1
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BACE2 mutant in complex with a macrocyclic compound
分子名称: (3S)-3-hydroxy-N-(2-methylpropyl)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-L-norleucinamide, Beta-secretase 2
著者Yen, Y.C, Ghosh, A.K, Mesecar, A.D.
登録日2019-10-02
公開日2020-10-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.03 Å)
主引用文献A Structure-Based Discovery Platform for BACE2 and the Development of Selective BACE Inhibitors.
Acs Chem Neurosci, 12, 2021
8FRL
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Acinetobacter baylyi LptB2FG bound to lipopolysaccharide and a macrocyclic peptide
分子名称: (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-5-[(2~{S},3~{S},4~{R},5~{R},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{R},5~{S},6~{R})-6-[(1~{S})-2-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-oxidanyl-ethyl]-3,4-bis(oxidanyl)-5-phosphonooxy-oxan-2-yl]oxy-3-oxidanyl-5-phosphonooxy-oxan-2-yl]oxy-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, (7S,10S,13S,17P)-10-(4-aminobutyl)-7-(3-aminopropyl)-17-(6-aminopyridin-3-yl)-20-chloro-13-[(1H-indol-3-yl)methyl]-12-methyl-6,7,9,10,12,13,15,16-octahydropyrido[2,3-b][1,5,8,11,14]benzothiatetraazacycloheptadecine-8,11,14(5H)-trione, DODECYL-BETA-D-MALTOSIDE, ...
著者Pahil, K.S, Gilman, M.S.A, Kruse, A.C, Kahne, D.
登録日2023-01-07
公開日2024-01-03
最終更新日2024-01-31
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献A new antibiotic traps lipopolysaccharide in its intermembrane transporter.
Nature, 625, 2024
8FRO
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Acinetobacter baylyi LptB2FG bound to lipopolysaccharide and a macrocyclic peptide
分子名称: (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-5-[(2~{S},3~{S},4~{R},5~{R},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{R},5~{S},6~{R})-6-[(1~{S})-2-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-oxidanyl-ethyl]-3,4-bis(oxidanyl)-5-phosphonooxy-oxan-2-yl]oxy-3-oxidanyl-5-phosphonooxy-oxan-2-yl]oxy-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, (7S,10S,13S)-10-(4-aminobutyl)-7-(3-aminopropyl)-17,20-dichloro-13-[(1H-indol-3-yl)methyl]-12-methyl-6,7,9,10,12,13,15,16-octahydropyrido[2,3-b][1,5,8,11,14]benzothiatetraazacycloheptadecine-8,11,14(5H)-trione, LPS export ABC transporter permease LptG, ...
著者Pahil, K.S, Gilman, M.S.A, Kruse, A.C, Kahne, D.
登録日2023-01-07
公開日2024-01-03
最終更新日2024-01-31
実験手法ELECTRON MICROSCOPY (3.25 Å)
主引用文献A new antibiotic traps lipopolysaccharide in its intermembrane transporter.
Nature, 625, 2024

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