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9B59
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BU of 9b59 by Molmil
Ubiquitin E2-Ub-E3 HECT tetrahedral transthiolation intermediate mimic - state 5
分子名称: 4-aminobutanenitrile, E3 ubiquitin-protein ligase pub2, Ubiquitin, ...
著者Kochanczyk, T, Lima, C.D.
登録日2024-03-22
公開日2024-06-05
最終更新日2024-08-14
実験手法ELECTRON MICROSCOPY (3.49 Å)
主引用文献Structural basis for transthiolation intermediates in the ubiquitin pathway
Nature, 2024
9IIL
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BU of 9iil by Molmil
Structure of the complex of erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii with nicotinamide adenine dinucleotide in the presence of poly(ethylene glycol) at 2.20 A resolution
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, ...
著者Viswanathan, V, Kumari, A, Singh, A, Kumar, A, Sharma, P, Chopra, S, Jeyakanthan, J, Sharma, S, Raje, C.I, Singh, T.P.
登録日2024-06-20
公開日2024-07-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of the complex of erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii with nicotinamide adenine dinucleotide in the presence of poly(ethylene glycol) at 2.20 A resolution
To Be Published
9BNJ
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BU of 9bnj by Molmil
Proteus vulgaris tryptophan indole-lyase aminoacrylate complex with benzimidazole
分子名称: 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, BENZIMIDAZOLE, CHLORIDE ION, ...
著者Phillips, R.S.
登録日2024-05-02
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Proteus vulgaris tryptophan indole-lyase aminoacrylate complex with benzimidazole
To Be Published
8Y95
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BU of 8y95 by Molmil
Structure of NET-NE in Occluded state
分子名称: CHLORIDE ION, Noradrenaline, SODIUM ION, ...
著者Zhang, H, Xu, H.E, Jiang, Y.
登録日2024-02-06
公開日2024-05-29
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.24 Å)
主引用文献Dimerization and antidepressant recognition at noradrenaline transporter.
Nature, 630, 2024
9B5H
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BU of 9b5h by Molmil
Ubiquitin E1-Ub-E2 tetrahedral transthiolation intermediate mimic (doubly Ub-loaded) - cluster 3 map and model (Ub(A)-AMP/PPi/Mg)
分子名称: 4-aminobutanenitrile, ADENOSINE MONOPHOSPHATE, Large ribosomal subunit protein eL40B, ...
著者Kochanczyk, T, Lima, C.D.
登録日2024-03-22
公開日2024-06-05
実験手法ELECTRON MICROSCOPY (2.69 Å)
主引用文献Structural basis for transthiolation intermediates in the ubiquitin pathway
To be published
9IJB
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BU of 9ijb by Molmil
Crystal structure and function analysis of a highly potential drug target 6-phosphogluconate dehydrogenase in Mycobacterium tuberculosis
分子名称: 6-phosphogluconate dehydrogenase, NAD(+)-dependent, decarboxylating
著者Wang, Y.Z, Ren, X.Q, Li, T, Zhang, R.D.
登録日2024-06-22
公開日2024-07-03
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (2.740405 Å)
主引用文献Crystal structure and function analysis of 6-phosphogluconate dehydrogenase in Mycobacterium tuberculosis.
Biochem.Biophys.Res.Commun., 731, 2024
6DCF
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BU of 6dcf by Molmil
Crystal structure of a Mycobacterium smegmatis transcription initiation complex with Rifampicin-resistant RNA polymerase and bound to kanglemycin A
分子名称: 1,2-ETHANEDIOL, DNA (26-MER), DNA (31-MER), ...
著者Lilic, M, Darst, S.A, Campbell, E.A.
登録日2018-05-06
公開日2018-09-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.45 Å)
主引用文献Rifamycin congeners kanglemycins are active against rifampicin-resistant bacteria via a distinct mechanism.
Nat Commun, 9, 2018
9EUE
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BU of 9eue by Molmil
The FK1 domain of FKBP51 in complex with SAFit-analog 23a
分子名称: (1-methylpyrazol-4-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Meyners, C, Buffa, V, Hausch, F.
登録日2024-03-27
公開日2024-06-12
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献1,4-Pyrazolyl-containing SAFit-analogues are selective FKBP51 inhibitors with improved ligand efficiency and drug-like profile.
Chemmedchem, 2024
9B3R
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BU of 9b3r by Molmil
The structure of human cardiac F-actin
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha cardiac muscle 1, ...
著者Doran, M.H, Sousa, D, Rynkiewicz, M.J, Lehman, W, Cammarato, A.
登録日2024-03-20
公開日2024-05-29
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structure of human cardiac actin
To Be Published
9EOE
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BU of 9eoe by Molmil
TF type tau filament from V337M mutant
分子名称: Isoform Tau-F of Microtubule-associated protein tau
著者Qi, C, Scheres, S.H.W, Michel, G.
登録日2024-03-14
公開日2024-07-10
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献Tau filaments with the Alzheimer fold in cases with MAPT mutations V337M and R406W.
Biorxiv, 2024
9BKG
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BU of 9bkg by Molmil
Crystal structure of selenomethionine labeled bovine trypsin mutant - S195A solved by Sulphur-SAD at 1.54A wavelength
分子名称: Serine protease 1
著者Zhou, D, Chen, L, Rose, J.P, Wang, B.C.
登録日2024-04-27
公開日2024-06-05
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Crystal structure of selenomethionine labeled bovine trypsin mutant - S195A solved by Sulphur-SAD at 1.54A wavelength
To Be Published
8XH7
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BU of 8xh7 by Molmil
Structure of EBV LMP1 oligomer
分子名称: Latent membrane protein 1
著者Gao, P, Huang, J.F.
登録日2023-12-17
公開日2024-06-26
最終更新日2024-07-31
実験手法ELECTRON MICROSCOPY (3.52 Å)
主引用文献Assembly and activation of EBV latent membrane protein 1.
Cell, 2024
9EU7
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BU of 9eu7 by Molmil
The FK1 domain of FKBP51 in complex with SAFit-analog 15b
分子名称: (2-methyl-1,3-thiazol-5-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Meyners, C, Buffa, V, Hausch, F.
登録日2024-03-27
公開日2024-06-12
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献1,4-Pyrazolyl-containing SAFit-analogues are selective FKBP51 inhibitors with improved ligand efficiency and drug-like profile.
Chemmedchem, 2024
8YF1
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BU of 8yf1 by Molmil
Cryo-EM structure of human SV2A in complex with Brivaracetam
分子名称: (2S)-2-[(4R)-2-oxidanylidene-4-propyl-pyrrolidin-1-yl]butanamide, Synaptic vesicle glycoprotein 2A
著者Qu, Q, Liu, S, Zhou, Z.
登録日2024-02-23
公開日2024-06-12
実験手法ELECTRON MICROSCOPY (3.38 Å)
主引用文献Cryo-EM structure of human SV2A in complex with Brivaracetam
To Be Published
9EOF
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BU of 9eof by Molmil
Structure of the human INTS5/8/10/15 subcomplex
分子名称: Integrator complex subunit 10, Integrator complex subunit 15, Integrator complex subunit 5, ...
著者Razew, M, Galej, W.P.
登録日2024-03-14
公開日2024-06-12
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (7.7 Å)
主引用文献Structural basis of the Integrator complex assembly and association with transcription factors.
Mol.Cell, 84, 2024
9BEZ
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BU of 9bez by Molmil
MID domain of human Argo2 bound to RNA
分子名称: Protein argonaute-2, [(3~{S},4~{R},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-oxolan-3-yl] [oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate
著者Harp, J.M, Egli, M.
登録日2024-04-16
公開日2024-07-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure and Stability of Ago2 MID-Nucleotide Complexes: All-in-One (Drop) His 6 -SUMO Tag Removal, Nucleotide Binding, and Crystal Growth.
Curr Protoc, 4, 2024
8ZNG
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BU of 8zng by Molmil
Cryo-EM structure of W89F mutated Glutamate dehydrogenase from Thermococcus profundus in complex with NADPH and AKG in the steady stage of reaction
分子名称: 2-OXOGLUTARIC ACID, Glutamate dehydrogenase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Wakabayashi, T, Nakasako, M.
登録日2024-05-26
公開日2024-06-12
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Mechanism for drastic reduction in catalytic activity of Trp89Phe-mutated glutamate dehydrogenase revealed by crystal structure and cryoEM-sampling of metastable conformation in action
To Be Published
9BKL
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BU of 9bkl by Molmil
Cobalt substituted rubredoxin from Pyrococcus furiosus solved by Co/S-SAD
分子名称: COBALT (II) ION, Rubredoxin
著者Zhou, D, Chen, L, Rose, J.P, Wang, B.C.
登録日2024-04-29
公開日2024-06-05
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Cobalt substituted rubredoxin from Pyrococcus furiosus solved by Co/S-SAD
To Be Published
9BVV
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BU of 9bvv by Molmil
NMR structure of TLP-3 in solution
分子名称: Temporin-1Tl
著者Jia, R, McShan, A.C.
登録日2024-05-20
公開日2024-06-05
実験手法SOLUTION NMR
主引用文献Design and Development of Temporin L Analogues to Inhibit the Main Protease of SARS-CoV-2
To Be Published
8Z76
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BU of 8z76 by Molmil
The structure of thiocyanate dehydrogenase from Pelomicrobium methylotrophicum (pmTcDH), activated by crystals soaking with 1 mM CuCl2 during 6 months
分子名称: 1,2-ETHANEDIOL, COPPER (II) ION, SODIUM ION, ...
著者Varfolomeeva, L.A, Solovieva, A.Y, Shipkov, N.S, Dergousova, N.I, Boyko, K.M, Tikhonova, T.V, Popov, V.O.
登録日2024-04-19
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The structure of thiocyanate dehydrogenase from Pelomicrobium methylotrophicum (pmTcDH), activated by crystals soaking with 1 mM CuCl2
To Be Published
8ZAV
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BU of 8zav by Molmil
alcohol dehydrogenases KpADH mutant - S9Y/F161K
分子名称: 1,2-ETHANEDIOL, NAD-dependent epimerase/dehydratase domain-containing protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Zhang, L, Ni, Y, Xu, G.C.
登録日2024-04-25
公開日2024-06-26
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Engineering alcohol dehydrogenases KpADH for enhanced organic-solvent tolerance and its molecular mechanisms
To Be Published
9BF0
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BU of 9bf0 by Molmil
MID domain of human Argo2 bound to UTP
分子名称: Protein argonaute-2, URIDINE 5'-TRIPHOSPHATE
著者Harp, J.M, Egli, M.
登録日2024-04-16
公開日2024-07-10
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structure and Stability of Ago2 MID-Nucleotide Complexes: All-in-One (Drop) His 6 -SUMO Tag Removal, Nucleotide Binding, and Crystal Growth.
Curr Protoc, 4, 2024
9BF2
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BU of 9bf2 by Molmil
MID domain of Ago2 bound to UMP
分子名称: Protein argonaute-2, URIDINE-5'-MONOPHOSPHATE
著者Harp, J.M, Egli, M.
登録日2024-04-16
公開日2024-07-10
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Structure and Stability of Ago2 MID-Nucleotide Complexes: All-in-One (Drop) His 6 -SUMO Tag Removal, Nucleotide Binding, and Crystal Growth.
Curr Protoc, 4, 2024
9EUA
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BU of 9eua by Molmil
The FK1 domain of FKBP51 in complex with SAFit-analog 23d
分子名称: (1-propylpyrazol-4-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Meyners, C, Buffa, V, Hausch, F.
登録日2024-03-27
公開日2024-06-12
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献1,4-Pyrazolyl-containing SAFit-analogues are selective FKBP51 inhibitors with improved ligand efficiency and drug-like profile.
Chemmedchem, 2024
9FWG
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BU of 9fwg by Molmil
LSD1/CoREST bound to bomedemstat
分子名称: Bomedemstat FAD adduct, Lysine-specific histone demethylase 1A, REST corepressor 1
著者Speranzini, V, Mattevi, A.
登録日2024-06-30
公開日2024-07-10
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Characterization of structural, biochemical, pharmacokinetic, and pharmacodynamic properties of the LSD1 inhibitor bomedemstat in preclinical models.
Prostate, 84, 2024

223790

件を2024-08-14に公開中

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