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5Z2T
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Crystal structure of DNA-bound DUX4-HD2
分子名称: 5'-D(*TP*TP*CP*TP*AP*AP*TP*CP*TP*AP*AP*TP*CP*TP*T)-3', 5'-D(P*AP*AP*GP*AP*TP*TP*AP*GP*AP*TP*TP*AP*GP*T)-3', Double homeobox protein 4
著者Dong, X, Zhang, W, Wu, H, Huang, J, Zhang, M, Wang, P, Zhang, H, Chen, Z, Chen, S, Meng, G.
登録日2018-01-04
公開日2018-04-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.623 Å)
主引用文献Structural basis of DUX4/IGH-driven transactivation.
Leukemia, 32, 2018
2A5U
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BU of 2a5u by Molmil
Crystal Structure of human PI3Kgamma complexed with AS605240
分子名称: (5E)-5-(QUINOXALIN-6-YLMETHYLENE)-1,3-THIAZOLIDINE-2,4-DIONE, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit, gamma isoform
著者Camps, M, Ruckle, T, Ji, H, Ardissone, V, Rintelen, F, Shaw, J, Ferrandi, C, Chabert, C, Gillieron, C, Francon, B, Martin, T, Gretener, D, Perrin, D, Leroy, D, Vitte, P.-A, Hirsch, E, Wymann, M.P, Cirillo, R, Schwarz, M.K, Rommel, C.
登録日2005-07-01
公開日2005-09-20
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Blockade of PI3Kgamma suppresses joint inflammation and damage in mouse models of rheumatoid arthritis
NAT.MED. (N.Y.), 11, 2005
6ABR
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BU of 6abr by Molmil
Actin interacting protein 5 (Aip5, wild type)
分子名称: Actin binding protein
著者Sun, J, Xie, Y, Toh, J.D.W, Hong, W, MIao, Y, Gao, Y.G.
登録日2018-07-23
公開日2019-11-20
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.002 Å)
主引用文献Polarisome scaffolder Spa2-mediated macromolecular condensation of Aip5 for actin polymerization.
Nat Commun, 10, 2019
6AKX
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BU of 6akx by Molmil
The Crystal structure of Human Chemokine Receptor CCR5 in complex with compound 21
分子名称: C-C chemokine receptor type 5,Rubredoxin,C-C chemokine receptor type 5, N-[(1S)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl}-1-(thiophen-2-yl)propyl]cyclopentanecarboxamide, NITRATE ION, ...
著者Zhu, Y, Zhao, Q, Wu, B.
登録日2018-09-04
公開日2018-10-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-Based Design of 1-Heteroaryl-1,3-propanediamine Derivatives as a Novel Series of CC-Chemokine Receptor 5 Antagonists.
J. Med. Chem., 61, 2018
6A51
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BU of 6a51 by Molmil
Novel Regulators CheP and CheQ Specifically Control Chemotaxis Core Gene cheVAW Transcription in Bacterial Pathogen Campylobacter jejuni
分子名称: CheQ
著者Lu, G, Gao, B, Cha, G, Chen, Z, Mo, R.
登録日2018-06-21
公開日2019-06-26
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The novel regulators CheP and CheQ control the core chemotaxis operon cheVAW in Campylobacter jejuni.
Mol.Microbiol., 111, 2019
6ACD
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BU of 6acd by Molmil
Trypsin-cleaved and low pH-treated SARS-CoV spike glycoprotein and ACE2 complex, ACE2-free conformation with one RBD in up conformation
分子名称: Spike glycoprotein
著者Gui, M, Song, W.
登録日2018-07-26
公開日2018-08-08
最終更新日2019-11-06
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Cryo-EM structure of the SARS coronavirus spike glycoprotein in complex with its host cell receptor ACE2.
PLoS Pathog., 14, 2018
6ACC
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BU of 6acc by Molmil
Trypsin-cleaved and low pH-treated SARS-CoV spike glycoprotein and ACE2 complex, ACE2-free conformation with three RBD in down conformation
分子名称: Spike glycoprotein
著者Gui, M, Song, W.
登録日2018-07-26
公開日2018-08-08
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Cryo-EM structure of the SARS coronavirus spike glycoprotein in complex with its host cell receptor ACE2.
PLoS Pathog., 14, 2018
6AFR
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BU of 6afr by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with 5-((4-fluoro-1H-imidazol-1-yl)methyl)quinolin-8-ol
分子名称: 5-[(4-fluoranylimidazol-1-yl)methyl]quinolin-8-ol, Bromodomain-containing protein 4
著者Xing, J, Zhang, R.K, Zheng, M.Y, Luo, C, Jiang, X.R.
登録日2018-08-08
公開日2018-12-12
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.998 Å)
主引用文献Rational design of 5-((1H-imidazol-1-yl)methyl)quinolin-8-ol derivatives as novel bromodomain-containing protein 4 inhibitors
Eur J Med Chem, 163, 2018
6DUG
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BU of 6dug by Molmil
Crystal structure of HIV-1 reverse transcriptase K101P mutant in complex with non-nucleoside inhibitor 25a
分子名称: 1,2-ETHANEDIOL, 4-({4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]piperidin-1-yl}methyl)benzene-1-sulfonamide, DIMETHYL SULFOXIDE, ...
著者Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A.
登録日2018-06-20
公開日2018-08-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.225 Å)
主引用文献Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors.
Elife, 7, 2018
5L8Q
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BU of 5l8q by Molmil
Structure of deformed wing virus, a honeybee pathogen
分子名称: URIDINE-5'-MONOPHOSPHATE, VP1, VP2, ...
著者Skubnik, K, Novacek, J, Fuzik, T, Pridal, A, Paxton, R, Plevka, P.
登録日2016-06-08
公開日2017-03-29
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structure of deformed wing virus, a major honey bee pathogen.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6H6Y
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BU of 6h6y by Molmil
GI.1 human norovirus protruding domain in complex with Nano-7
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Capsid protein VP1, ...
著者Kilic, T, Ruoff, K, Hansman, G.S.
登録日2018-07-30
公開日2018-12-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Structural Basis of Nanobodies Targeting the Prototype Norovirus.
J. Virol., 93, 2019
6DNK
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BU of 6dnk by Molmil
Human Stimulator of Interferon Genes
分子名称: Stimulator of interferon genes protein, cGAMP
著者Fernandez, D, Li, L, Ergun, S.L.
登録日2018-06-06
公開日2019-03-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献STING Polymer Structure Reveals Mechanisms for Activation, Hyperactivation, and Inhibition.
Cell, 178, 2019
6H72
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BU of 6h72 by Molmil
GI.1 human norovirus protruding domain in complex with Nano-94 and 2-fucosyllactose (2FL)
分子名称: 1,2-ETHANEDIOL, Capsid protein VP1, Nanobody (VHH) Nano-94, ...
著者Kilic, T, Hansman, G.S.
登録日2018-07-30
公開日2018-12-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Basis of Nanobodies Targeting the Prototype Norovirus.
J. Virol., 93, 2019
6ASP
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BU of 6asp by Molmil
Structure of Grp94 with methyl 3-chloro-2-(2-(1-(2-ethoxybenzyl)-1 H-imidazol-2-yl)ethyl)-4,6-dihydroxybenzoate, a Grp94-selective inhibitor and promising therapeutic lead for treating myocilin-associated glaucoma
分子名称: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Endoplasmin, GLYCEROL, ...
著者Huard, D.J.E, Lieberman, R.L.
登録日2017-08-25
公開日2018-04-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.696 Å)
主引用文献Trifunctional High-Throughput Screen Identifies Promising Scaffold To Inhibit Grp94 and Treat Myocilin-Associated Glaucoma.
ACS Chem. Biol., 13, 2018
5L7Q
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BU of 5l7q by Molmil
Structure of deformed wing virus, a honeybee pathogen
分子名称: VP1, vp2, vp3
著者Skubnik, K, Novacek, J, Fuzik, T, Pridal, A, Paxton, R, Plevka, P.
登録日2016-06-03
公開日2017-03-29
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structure of deformed wing virus, a major honey bee pathogen.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
7CSW
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BU of 7csw by Molmil
Pseudomonas aeruginosa antitoxin HigA with pa2440 promoter
分子名称: HTH cro/C1-type domain-containing protein, pa2440
著者Song, Y.J, Luo, G.H, Bao, R.
登録日2020-08-17
公開日2021-01-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Pseudomonas aeruginosa antitoxin HigA functions as a diverse regulatory factor by recognizing specific pseudopalindromic DNA motifs.
Environ.Microbiol., 23, 2021
7C3N
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BU of 7c3n by Molmil
Crystal structure of JAK3 in complex with Delgocitinib
分子名称: 3-[(3S,4R)-3-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[3.4]octan-1-yl]-3-oxidanylidene-propanenitrile, Tyrosine-protein kinase JAK3
著者Doi, S, Otira, T, Kikuwaka, M, Nomura, A, Noji, S, Adachi, T.
登録日2020-05-13
公開日2020-06-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Discovery of a Janus Kinase Inhibitor Bearing a Highly Three-Dimensional Spiro Scaffold: JTE-052 (Delgocitinib) as a New Dermatological Agent to Treat Inflammatory Skin Disorders.
J.Med.Chem., 63, 2020
7CSV
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BU of 7csv by Molmil
Pseudomonas aeruginosa antitoxin HigA
分子名称: HTH cro/C1-type domain-containing protein
著者Song, Y.J, Luo, G.H, Bao, R.
登録日2020-08-17
公開日2021-01-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Pseudomonas aeruginosa antitoxin HigA functions as a diverse regulatory factor by recognizing specific pseudopalindromic DNA motifs.
Environ.Microbiol., 23, 2021
7CCS
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BU of 7ccs by Molmil
Consensus mutated xCT-CD98hc complex
分子名称: 4F2 cell-surface antigen heavy chain, Consensus mutated Anionic Amino Acid Transporter Light Chain, Xc- System
著者Oda, K, Lee, Y, Takemoto, M, Yamashita, K, Nishizawa, T, Nureki, O.
登録日2020-06-17
公開日2020-12-09
最終更新日2020-12-16
実験手法ELECTRON MICROSCOPY (6.2 Å)
主引用文献Consensus mutagenesis approach improves the thermal stability of system x c - transporter, xCT, and enables cryo-EM analyses.
Protein Sci., 29, 2020
7CMM
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BU of 7cmm by Molmil
Crystal structure of TEAD1-YBD in complex with K-975
分子名称: N-[3-(4-chloranylphenoxy)-4-methyl-phenyl]propanamide, Transcriptional enhancer factor TEF-1
著者Tsuji, Y, Suzuki, M, Yasunaga, M, Hamguchi, K, Saito, J.
登録日2020-07-28
公開日2021-02-03
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献The novel potent TEAD inhibitor, K-975, inhibits YAP1/TAZ-TEAD protein-protein interactions and exerts an anti-tumor effect on malignant pleural mesothelioma.
Am J Cancer Res, 10, 2020
7CSY
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BU of 7csy by Molmil
Pseudomonas aeruginosa antitoxin HigA with higBA promoter
分子名称: DNA (28-MER), DNA (29-MER), HTH cro/C1-type domain-containing protein, ...
著者Song, Y.J, Luo, G.H, Bao, R.
登録日2020-08-17
公開日2021-01-13
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Pseudomonas aeruginosa antitoxin HigA functions as a diverse regulatory factor by recognizing specific pseudopalindromic DNA motifs.
Environ.Microbiol., 23, 2021
6ASQ
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BU of 6asq by Molmil
Structure of Grp94 bound to methyl 2-[2-(2-benzylpyridin-3-yl)ethyl]-3-chloro-4,6-dihydroxybenzoate, a pan-Hsp90 inhibitor
分子名称: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, DI(HYDROXYETHYL)ETHER, Endoplasmin, ...
著者Huard, D.J.E, Lieberman, R.L.
登録日2017-08-25
公開日2018-04-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Trifunctional High-Throughput Screen Identifies Promising Scaffold To Inhibit Grp94 and Treat Myocilin-Associated Glaucoma.
ACS Chem. Biol., 13, 2018
6ECI
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BU of 6eci by Molmil
Structure of the FAD binding protein MSMEG_5243 from Mycobacterium smegmatis
分子名称: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Pyridoxamine 5'-phosphate oxidase-related, ...
著者Ahmed, F.H, Antoney, J, Carr, P.D, Jackson, C.J.
登録日2018-08-07
公開日2018-12-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献FAD-sequestering proteins protect mycobacteria against hypoxic and oxidative stress.
J. Biol. Chem., 294, 2019
5MBV
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BU of 5mbv by Molmil
Cryo-EM structure of Lambda Phage protein GamS bound to RecBCD.
分子名称: Host-nuclease inhibitor protein gam, RecBCD enzyme subunit RecB, RecBCD enzyme subunit RecC, ...
著者Wilkinson, M, Chaban, Y, Wigley, D.B.
登録日2016-11-08
公開日2017-01-11
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural basis for the inhibition of RecBCD by Gam and its synergistic antibacterial effect with quinolones.
Elife, 5, 2016
6BBA
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BU of 6bba by Molmil
Crystal structure of human mitochondrial ClpP complex with acyldepsipeptide ADEP-28
分子名称: ATP-dependent Clp protease proteolytic subunit, mitochondrial, Acyldepsipeptide ADEP-28
著者Mabanglo, M.F, Houry, W.A.
登録日2017-10-17
公開日2018-07-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.796 Å)
主引用文献Acyldepsipeptide Analogs Dysregulate Human Mitochondrial ClpP Protease Activity and Cause Apoptotic Cell Death.
Cell Chem Biol, 25, 2018

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