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PDB: 88675 件

6QDB
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Leishmania major N-myristoyltransferase in complex with thienopyrimidine inhibitor IMP-0000081
分子名称: 3-[methyl-[2-[methyl(piperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]propanenitrile, Glycylpeptide N-tetradecanoyltransferase, MAGNESIUM ION, ...
著者Brannigan, J.A.
登録日2019-01-01
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes.
J.Med.Chem., 63, 2020
5NDG
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Crystal structure of geneticin (G418) bound to the yeast 80S ribosome
分子名称: 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ...
著者Prokhorova, I, Djumagulov, M, Urzhumtsev, A, Yusupov, M, Yusupova, G.
登録日2017-03-08
公開日2017-12-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Aminoglycoside interactions and impacts on the eukaryotic ribosome.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6NXI
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Flavin Transferase ApbE from Vibrio cholerae
分子名称: 1,2-ETHANEDIOL, FAD:protein FMN transferase, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Osipiuk, J, Fang, X, Chakravarthy, S, Juarez, O, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-02-08
公開日2019-03-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Conserved residue His-257 ofVibrio choleraeflavin transferase ApbE plays a critical role in substrate binding and catalysis.
J.Biol.Chem., 294, 2019
7AB8
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Crystal structure of a GDNF-GFRalpha1 complex
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
著者Adams, S.E, Earl, C.P, Purkiss, A.G, McDonald, N.Q.
登録日2020-09-07
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A two-site flexible clamp mechanism for RET-GDNF-GFR alpha 1 assembly reveals both conformational adaptation and strict geometric spacing.
Structure, 29, 2021
7QZ5
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Transcriptional regulator LmrR with Trp-67 and Trp-96 replaced by the unnatural amino acid 5-fluoroTrp
分子名称: Transcriptional regulator, PadR-like family
著者Thunnissen, A.M.W.H.
登録日2022-01-30
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Role of Tryptophan in pi Interactions in Proteins: An Experimental Approach.
J.Am.Chem.Soc., 144, 2022
6NNI
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Structure of closed state of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with NADPH and pyrimethamine
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, COBALT (II) ION, ...
著者Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B.
登録日2019-01-15
公開日2019-07-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.561 Å)
主引用文献Crystal structures of the closed form of Mycobacterium tuberculosis dihydrofolate reductase in complex with dihydrofolate and antifolates.
Acta Crystallogr D Struct Biol, 75, 2019
7NY8
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Affimer K69 - KRAS protein complex
分子名称: Affimer K69, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Turner, A.L, Trinh, C.H, Haza, K.Z, Rao, A, Martin, H.L, Tiede, C, Edwards, T.A, McPherson, M.J, Tomlinson, D.C.
登録日2021-03-21
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献RAS-inhibiting biologics identify and probe druggable pockets including an SII-alpha 3 allosteric site.
Nat Commun, 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
7QAN
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Cytochrome P450 Enzyme AbyV
分子名称: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CHLORIDE ION, Cytochrome P450, ...
著者Parnell, A.E, Back, C.R, Race, P.R.
登録日2021-11-17
公開日2022-11-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献The Role of Cytochrome P450 AbyV in the Final Stages of Abyssomicin C Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023
7NZA
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Structure of OBP1 from Varroa destructor, form P2<1>
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Odorant Binding Protein from Varroa destructor, form P2<1>, ...
著者Cambillau, C, Amigues, B, Roussel, A, Leone, P, Gaubert, A, Pelosi, P.
登録日2021-03-23
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.199 Å)
主引用文献A new non-classical fold of varroa odorant-binding proteins reveals a wide open internal cavity.
Sci Rep, 11, 2021
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
7QB2
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Pim1 in complex with (E)-4-((6-amino-1-methyl-2-oxoindolin-3-ylidene)methyl)benzoic acid and Pimtide
分子名称: 4-[(E)-(6-azanyl-1-methyl-2-oxidanylidene-indol-3-ylidene)methyl]benzoic acid, GLYCEROL, Pimtide, ...
著者Hochban, P.M.M, Heine, A, Diederich, W.E.
登録日2021-11-18
公開日2022-11-30
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Pose, duplicate, then elaborate: Steps towards increased affinity for inhibitors targeting the specificity surface of the Pim-1 kinase.
Eur.J.Med.Chem., 245, 2023
6ZR5
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Crystal structure of JNK1 in complex with ATF2(19-58)
分子名称: Cyclic AMP-dependent transcription factor ATF-2, MAGNESIUM ION, Mitogen-activated protein kinase 8, ...
著者Kirsch, K, Zeke, A, Remenyi, A.
登録日2020-07-10
公開日2020-11-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.699 Å)
主引用文献Co-regulation of the transcription controlling ATF2 phosphoswitch by JNK and p38.
Nat Commun, 11, 2020
6NWK
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Structure of the Ancestral Glucocorticoid Receptor 2 ligand binding domain in complex with dexamethasone and PGC1a coregulator fragment
分子名称: ACETYL GROUP, DEXAMETHASONE, DIMETHYL SULFOXIDE, ...
著者Liu, X, Ortlund, E.A.
登録日2019-02-06
公開日2019-10-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献First High-Resolution Crystal Structures of the Glucocorticoid Receptor Ligand-Binding Domain-Peroxisome Proliferator-ActivatedgammaCoactivator 1-alphaComplex with Endogenous and Synthetic Glucocorticoids.
Mol.Pharmacol., 96, 2019
6QAU
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Crystal structure of ULK2 in complexed with MRT67307
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
著者Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium, Structural Genomics Consortium (SGC)
登録日2018-12-19
公開日2019-02-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Conservation of structure, function and inhibitor binding in UNC-51-like kinase 1 and 2 (ULK1/2).
Biochem.J., 476, 2019
6NX1
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STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN BOUND TETHERED WITH SRC CO-ACTIVATOR PEPTIDE AND COMPOUND-3 AKA 1,1,1,3,3,3-HEXAFLUORO-2-{4-[1-(4- LUOROBENZENESULFONYL)CYCLOPENTYL]PHENYL}PROPAN-2-OL
分子名称: 1,1,1,3,3,3-hexafluoro-2-(4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}phenyl)propan-2-ol, Nuclear receptor subfamily 1 group I member 2,Nuclear receptor coactivator 1 fusion
著者Khan, J.A.
登録日2019-02-07
公開日2020-02-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structure-based Discovery of Phenyl (3-Phenylpyrrolidin-3-yl)sulfones as Selective, Orally Active ROR gamma t Inverse Agonists.
Acs Med.Chem.Lett., 10, 2019
6ZR2
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Cryo-EM structure of respiratory complex I in the active state from Mus musculus at 3.1 A
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Bridges, H.R, Blaza, J.N, Agip, A.N.A, Hirst, J.
登録日2020-07-10
公開日2020-10-21
最終更新日2020-10-28
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structure of inhibitor-bound mammalian complex I.
Nat Commun, 11, 2020
6NNE
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Crystal structure of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with diaverdine
分子名称: 5-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine, COBALT (II) ION, Dihydrofolate reductase, ...
著者Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B.
登録日2019-01-14
公開日2019-07-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.595 Å)
主引用文献Crystal structures of the closed form of Mycobacterium tuberculosis dihydrofolate reductase in complex with dihydrofolate and antifolates.
Acta Crystallogr D Struct Biol, 75, 2019
6ZSB
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Human mitochondrial ribosome in complex with mRNA and P-site tRNA
分子名称: 12S mitochondrial rRNA, 16S mitochondrial rRNA, 28S ribosomal protein S10, ...
著者Aibara, S, Singh, V, Modelska, A, Amunts, A.
登録日2020-07-15
公開日2020-09-16
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Structural basis of mitochondrial translation.
Elife, 9, 2020
7QEH
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LTA-binding domain of SlpA, the S-layer protein from Lactobacillus amylovorus
分子名称: PHOSPHATE ION, S-layer
著者Eder, M, Dordic, A, Sagmeister, T, Pavkov-Keller, T.
登録日2021-12-03
公開日2022-12-14
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献The molecular architecture of Lactobacillus S-layer: Assembly and attachment to teichoic acids.
Proc.Natl.Acad.Sci.USA, 121, 2024
7QEC
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Crystal structure of SlpA - domain II, domain that is involved in the self-assembly of the S-layer from Lactobacillus amylovorus
分子名称: S-layer
著者Eder, M, Dordic, A, Millan, C, Sagmeister, T, Uson, I, Pavkov-Keller, T.
登録日2021-12-02
公開日2022-12-14
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The molecular architecture of Lactobacillus S-layer: Assembly and attachment to teichoic acids.
Proc.Natl.Acad.Sci.USA, 121, 2024
6QDA
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Leishmania major N-myristoyltransferase in complex with quinazoline inhibitor IMP-0000811
分子名称: 3-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]quinazolin-4-yl]amino]propanenitrile, Glycylpeptide N-tetradecanoyltransferase, MAGNESIUM ION, ...
著者Brannigan, J.A.
登録日2019-01-01
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes.
J.Med.Chem., 63, 2020
6QDG
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Leishmania major N-myristoyltransferase in complex with quinazoline inhibitor IMP-0000169
分子名称: 3-[[6-bromanyl-2-[3-(dimethylamino)propyl-methyl-amino]quinazolin-4-yl]-methyl-amino]propanenitrile, Glycylpeptide N-tetradecanoyltransferase, MAGNESIUM ION, ...
著者Brannigan, J.A.
登録日2019-01-01
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes.
J.Med.Chem., 63, 2020
8FQC
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Structure of baseplate with receptor binding complex of Agrobacterium phage Milano
分子名称: Baseplate Centerpiece, gp25, Baseplate Central Spike, ...
著者Sonani, R.R, Leiman, P.G, Wang, F, Kreutzberger, M.A.B, Sebastian, A, Esteves, N.C, Kelly, R.J, Scharf, B, Egelman, E.H.
登録日2023-01-05
公開日2024-01-31
最終更新日2024-02-07
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献An extensive disulfide bond network prevents tail contraction in Agrobacterium tumefaciens phage Milano.
Nat Commun, 15, 2024
7QFM
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Pim1 in complex with (E)-4-((2-oxoindolin-3-ylidene)methyl)benzoic acid and Pimtide
分子名称: 4-[(~{E})-(2-oxidanylidene-1~{H}-indol-3-ylidene)methyl]benzoic acid, GLYCEROL, Pimtide, ...
著者Hochban, P.M.M, Heine, A, Diederich, W.E.
登録日2021-12-06
公開日2022-12-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Pose, duplicate, then elaborate: Steps towards increased affinity for inhibitors targeting the specificity surface of the Pim-1 kinase.
Eur.J.Med.Chem., 245, 2023

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