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6IAG
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Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-637
分子名称: 1,2-ETHANEDIOL, 1-cycloheptyl-3-{4-methoxy-3-[(2-methoxyphenyl)methoxy]phenyl}-4,4-dimethyl-4,5-dihydro- 1H-pyrazol-5-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Singh, A.K, Brown, D.G.
登録日2018-11-26
公開日2019-12-18
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献hPDE4D2 structure with inhibitor NPD-637
To be published
6IBF
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Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-417
分子名称: (4~{a}~{S},8~{a}~{R})-4-[4-methoxy-3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Singh, A.K, Brown, D.G.
登録日2018-11-29
公開日2019-12-18
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献hPDE4D2 structure with inhibitor NPD-417
To be published
7Y74
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Apostichopus japonicus ferritin mutant-D129A/E132A
分子名称: CADMIUM ION, FE (III) ION, Ferritin
著者Wu, Y, Ming, T.H, Su, X.R.
登録日2022-06-21
公開日2023-07-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Apostichopus japonicus ferritin mutant-D129A/E132A
To Be Published
7X8X
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structural insights into Mycobacterium tuberculosis ClpP1P2 inhibition by Cediranib: implications for developing antimicrobial agents targeting Clp protease
分子名称: 4-[1-[3-[4-[(4-fluoranyl-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-quinazolin-7-yl]oxypropyl]piperidin-4-yl]benzamide, 4-[[3,5-bis(fluoranyl)phenyl]methyl]-N-[(4-bromophenyl)methyl]piperazine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit 1, ...
著者Bao, R, Luo, Y.F, Zhu, Y.B, Yang, Y, Zhou, Y.Z.
登録日2022-03-15
公開日2023-04-12
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (3.24 Å)
主引用文献Discovery and Mechanistic Study of Novel Mycobacterium tuberculosis ClpP1P2 Inhibitors
J.Med.Chem., 66, 2023
7X0S
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Human TRiC-tubulin-S3
分子名称: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, MAGNESIUM ION, ...
著者Cong, Y, Liu, C.X.
登録日2022-02-22
公開日2023-04-12
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Pathway and mechanism of tubulin folding mediated by TRiC/CCT along its ATPase cycle revealed using cryo-EM.
Commun Biol, 6, 2023
7XNY
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High resolution cry-EM structure of the human 80S ribosome from SNORD127+/- Kasumi-1 cells
分子名称: 18S rRNA, 28S rRNA, 40S ribosomal protein S10, ...
著者Cheng, J, Beckmann, R.
登録日2022-04-30
公開日2023-04-05
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献A Dynamic rRNA Ribomethylome Drives Stemness in Acute Myeloid Leukemia.
Cancer Discov, 13, 2023
6I7V
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Ribosomal protein paralogs bL31 and bL36
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1,4-DIAMINOBUTANE, ...
著者Pulk, A, Cate, J.H.D, Remme, J, Lilleorg, S, Reier, K, Peil, L, Liiv, A, Tammsalu, T.
登録日2018-11-19
公開日2018-12-05
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Bacterial ribosome heterogeneity: Changes in ribosomal protein composition during transition into stationary growth phase.
Biochimie, 156, 2018
6U5B
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CryoEM Structure of Pyocin R2 - precontracted - baseplate
分子名称: Glue PA0627, Ripcord PA0626, Sheath Initiator PA0617, ...
著者Ge, P, Avaylon, J, Scholl, D, Shneider, M.M, Browning, C, Buth, S.A, Plattner, M, Ding, K, Leiman, P.G, Miller, J.F, Zhou, Z.H.
登録日2019-08-27
公開日2020-04-15
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Action of a minimal contractile bactericidal nanomachine.
Nature, 580, 2020
6I9R
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BU of 6i9r by Molmil
Large subunit of the human mitochondrial ribosome in complex with Virginiamycin M and Quinupristin
分子名称: 16S rRNA, 39S ribosomal protein L10, mitochondrial, ...
著者Modelska, A, Aibara, S, Amunts, A.
登録日2018-11-25
公開日2020-07-08
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Inhibition of mitochondrial translation suppresses glioblastoma stem cell growth.
Cell Rep, 35, 2021
7XJ6
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SARS-CoV-2 BA.1 Spike trimer in complex with 55A8 Fab and 58G6 Fab in the class 1 conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 55A8 heavy chain, ...
著者Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X.
登録日2022-04-15
公開日2023-04-19
実験手法ELECTRON MICROSCOPY (3.29 Å)
主引用文献SARS-CoV-2 BA.1 Spike trimer in complex with 55A8 Fab and 58G6 Fab in the class 1 conformation
To Be Published
6IU9
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Crystal structure of cytoplasmic metal binding domain with iron ions
分子名称: FE (II) ION, VIT1, ZINC ION
著者Kato, T, Nishizawa, T, Yamashita, K, Kumazaki, K, Ishitani, R, Nureki, O.
登録日2018-11-27
公開日2019-02-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of plant vacuolar iron transporter VIT1.
Nat Plants, 5, 2019
6U0S
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Crystal structure of the flavin-dependent monooxygenase PieE in complex with FAD and substrate
分子名称: 2,4-dichlorophenol 6-monooxygenase, 2-[(2E,5E,7E,9R,10R,11E)-10-hydroxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraen-1-yl]-6-methoxy-3-methylpyridin-4-ol, CHLORIDE ION, ...
著者Shi, R, Manenda, M.
登録日2019-08-14
公開日2020-03-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Structural analyses of the Group A flavin-dependent monooxygenase PieE reveal a sliding FAD cofactor conformation bridging OUT and IN conformations.
J.Biol.Chem., 295, 2020
5W5T
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BU of 5w5t by Molmil
Agrobacterium tumefaciens ADP-Glucose Pyrophosphorylase bound to activator ethyl pyruvate
分子名称: GLYCEROL, Glucose-1-phosphate adenylyltransferase, SULFATE ION, ...
著者Mascarenhas, R.N, Hill, B.L, Ballicora, M.A, Liu, D.
登録日2017-06-15
公開日2018-11-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structural analysis reveals a pyruvate-binding activator site in theAgrobacterium tumefaciensADP-glucose pyrophosphorylase.
J. Biol. Chem., 294, 2019
6U2J
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BU of 6u2j by Molmil
EM structure of MPEG-1 (L425K, alpha conformation) soluble pre-pore complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Macrophage-expressed gene 1 protein
著者Pang, S.S, Bayly-Jones, C.
登録日2019-08-20
公開日2019-09-25
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (2.37 Å)
主引用文献The cryo-EM structure of the acid activatable pore-forming immune effector Macrophage-expressed gene 1.
Nat Commun, 10, 2019
5W18
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Staphylococcus aureus ClpP in complex with (S)-N-((2R,6S,8aS,14aS,20S,23aS)-2,6-dimethyl-5,8,14,19,23-pentaoxooctadecahydro-1H,5H,14H,19H-pyrido[2,1-i]dipyrrolo[2,1-c:2',1'-l][1]oxa[4,7,10,13]tetraazacyclohexadecin-20-yl)-3-phenyl-2-(3-phenylureido)propanamide
分子名称: 9V7-PHE-SER-PRO-YCP-ALA-MP8, ATP-dependent Clp protease proteolytic subunit
著者Lee, R.E, Griffith, E.C.
登録日2017-06-02
公開日2017-08-09
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Ureadepsipeptides as ClpP Activators.
Acs Infect Dis., 2019
4YA0
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Yeast 20S proteasome beta2-H116E mutant in complex with Ac-PAE-ep
分子名称: Ac-PAE-ep, CHLORIDE ION, MAGNESIUM ION, ...
著者Huber, E.M, Groll, M.
登録日2015-02-17
公開日2015-06-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors.
J.Am.Chem.Soc., 137, 2015
6IF5
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BU of 6if5 by Molmil
Crystal structure of monkey TLR7 in complex with 2',3'-cGMP (Guanosine 2',3'-cyclic phosphate)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GUANOSINE-5'-PHOSPHATE-2',3'-CYCLIC PHOSPHATE, ...
著者Zhang, Z, Ohto, U, Shimizu, T.
登録日2018-09-18
公開日2019-01-30
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Analyses of Toll-like Receptor 7 Reveal Detailed RNA Sequence Specificity and Recognition Mechanism of Agonistic Ligands.
Cell Rep, 25, 2018
5W4L
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BU of 5w4l by Molmil
Crystal structure of the non-neutralizing and ADCC-potent C11-like antibody N12-i3 in complex with HIV-1 clade A/E gp120, the CD4 mimetic M48U1, and the antibody N5-i5.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody N12-i3 Fab heavy chain, Antibody N12-i3 light chain, ...
著者Tolbert, W.D, Gohain, N, Pazgier, M.
登録日2017-06-12
公開日2017-11-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献Targeting the Late Stage of HIV-1 Entry for Antibody-Dependent Cellular Cytotoxicity: Structural Basis for Env Epitopes in the C11 Region.
Structure, 25, 2017
4YCO
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E. coli dihydrouridine synthase C (DusC) in complex with tRNAPhe
分子名称: FLAVIN MONONUCLEOTIDE, MAGNESIUM ION, MANGANESE (II) ION, ...
著者Byrne, R.T, Jenkins, H.T, Peters, D.T, Whelan, F, Stowell, J, Aziz, N, Kasatsky, P, Rodnina, M.V, Koonin, E.V, Konevega, A.L, Antson, A.A.
登録日2015-02-20
公開日2015-04-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Major reorientation of tRNA substrates defines specificity of dihydrouridine synthases.
Proc.Natl.Acad.Sci.USA, 112, 2015
5VVC
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Structure of human endothelial nitric oxide synthase heme domain in complex with 4-(2-(((2-Amino-4-methylquinolin-7-yl)methyl)amino)ethyl)-2-methylbenzonitrile
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-{[(2-amino-4-methylquinolin-7-yl)methyl]amino}ethyl)-2-methylbenzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
著者Chreifi, G, Li, H, Poulos, T.L.
登録日2017-05-19
公開日2017-08-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors.
J. Med. Chem., 60, 2017
4YEE
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beta2 carbohydrate binding module (CBM) of AMP-activated protein kinase (AMPK) in complex with glucosyl-beta-cyclodextrin
分子名称: 5'-AMP-activated protein kinase subunit beta-2, Cyclic alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-[alpha-D-glucopyranose-(1-6)]alpha-D-glucopyranose, GLYCEROL
著者Mobbs, J, Gorman, M.A, Parker, M.W, Gooley, P.R, Griffin, M.
登録日2015-02-24
公開日2015-04-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Determinants of oligosaccharide specificity of the carbohydrate-binding modules of AMP-activated protein kinase.
Biochem.J., 468, 2015
5W6R
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Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with cyclic peptide CP141099 (P6)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACE-PH8-ORN-LEU-GLU-TYR-PHE-GLU-TRP-LEU-SER-9WV, ...
著者Wilson, I.A, Kadam, R.U.
登録日2017-06-16
公開日2017-10-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.731 Å)
主引用文献Potent peptidic fusion inhibitors of influenza virus.
Science, 358, 2017
6U8N
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Human IMPDH2 treated with ATP, IMP, and NAD+. Fully extended filament segment reconstruction.
分子名称: ADENOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase 2, ...
著者Johnson, M.C, Kollman, J.M.
登録日2019-09-05
公開日2020-03-25
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.29 Å)
主引用文献Cryo-EM structures demonstrate human IMPDH2 filament assembly tunes allosteric regulation.
Elife, 9, 2020
7VQ0
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Cryo-EM structure of the SARS-CoV-2 spike protein (2-up RBD) bound to neutralizing nanobodies P86
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Maeda, R, Fujita, J, Konishi, Y, Kazuma, Y, Yamazaki, H, Anzai, I, Yamaguchi, K, Kasai, K, Nagata, K, Yamaoka, Y, Miyakawa, K, Ryo, A, Shirakawa, K, Makino, F, Matsuura, Y, Inoue, T, Imura, A, Namba, K, Takaori-Kondo, A.
登録日2021-10-18
公開日2022-07-20
実験手法ELECTRON MICROSCOPY (3.03 Å)
主引用文献A panel of nanobodies recognizing conserved hidden clefts of all SARS-CoV-2 spike variants including Omicron.
Commun Biol, 5, 2022
6U9V
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Cryo electron microscopy structure of the ATP-gated rat P2X7 ion channel in the apo, closed state
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GUANOSINE-5'-DIPHOSPHATE, ...
著者Mansoor, S.E, McCarthy, A.E.
登録日2019-09-09
公開日2019-10-23
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Full-Length P2X7Structures Reveal How Palmitoylation Prevents Channel Desensitization.
Cell, 179, 2019

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