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5Z2T
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BU of 5z2t by Molmil
Crystal structure of DNA-bound DUX4-HD2
Descriptor: 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
Authors:Dong, X, Zhang, W, Wu, H, Huang, J, Zhang, M, Wang, P, Zhang, H, Chen, Z, Chen, S, Meng, G.
Deposit date:2018-01-04
Release date:2018-04-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.623 Å)
Cite: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
Descriptor: (5E)-5-(QUINOXALIN-6-YLMETHYLENE)-1,3-THIAZOLIDINE-2,4-DIONE, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit, gamma isoform
Authors: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.
Deposit date:2005-07-01
Release date:2005-09-20
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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)
Descriptor: Actin binding protein
Authors:Sun, J, Xie, Y, Toh, J.D.W, Hong, W, MIao, Y, Gao, Y.G.
Deposit date:2018-07-23
Release date:2019-11-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.002 Å)
Cite: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
Descriptor: 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, ...
Authors:Zhu, Y, Zhao, Q, Wu, B.
Deposit date:2018-09-04
Release date:2018-10-24
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: CheQ
Authors:Lu, G, Gao, B, Cha, G, Chen, Z, Mo, R.
Deposit date:2018-06-21
Release date:2019-06-26
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: Spike glycoprotein
Authors:Gui, M, Song, W.
Deposit date:2018-07-26
Release date:2018-08-08
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite: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
Descriptor: Spike glycoprotein
Authors:Gui, M, Song, W.
Deposit date:2018-07-26
Release date:2018-08-08
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite: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
Descriptor: 5-[(4-fluoranylimidazol-1-yl)methyl]quinolin-8-ol, Bromodomain-containing protein 4
Authors:Xing, J, Zhang, R.K, Zheng, M.Y, Luo, C, Jiang, X.R.
Deposit date:2018-08-08
Release date:2018-12-12
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.998 Å)
Cite: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
Descriptor: 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, ...
Authors:Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A.
Deposit date:2018-06-20
Release date:2018-08-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.225 Å)
Cite: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
Descriptor: URIDINE-5'-MONOPHOSPHATE, VP1, VP2, ...
Authors:Skubnik, K, Novacek, J, Fuzik, T, Pridal, A, Paxton, R, Plevka, P.
Deposit date:2016-06-08
Release date:2017-03-29
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Capsid protein VP1, ...
Authors:Kilic, T, Ruoff, K, Hansman, G.S.
Deposit date:2018-07-30
Release date:2018-12-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.58 Å)
Cite: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
Descriptor: Stimulator of interferon genes protein, cGAMP
Authors:Fernandez, D, Li, L, Ergun, S.L.
Deposit date:2018-06-06
Release date:2019-03-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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)
Descriptor: 1,2-ETHANEDIOL, Capsid protein VP1, Nanobody (VHH) Nano-94, ...
Authors:Kilic, T, Hansman, G.S.
Deposit date:2018-07-30
Release date:2018-12-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Endoplasmin, GLYCEROL, ...
Authors:Huard, D.J.E, Lieberman, R.L.
Deposit date:2017-08-25
Release date:2018-04-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.696 Å)
Cite: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
Descriptor: VP1, vp2, vp3
Authors:Skubnik, K, Novacek, J, Fuzik, T, Pridal, A, Paxton, R, Plevka, P.
Deposit date:2016-06-03
Release date:2017-03-29
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite: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
Descriptor: HTH cro/C1-type domain-containing protein, pa2440
Authors:Song, Y.J, Luo, G.H, Bao, R.
Deposit date:2020-08-17
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.97 Å)
Cite: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
Descriptor: 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
Authors:Doi, S, Otira, T, Kikuwaka, M, Nomura, A, Noji, S, Adachi, T.
Deposit date:2020-05-13
Release date:2020-06-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.98 Å)
Cite: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
Descriptor: HTH cro/C1-type domain-containing protein
Authors:Song, Y.J, Luo, G.H, Bao, R.
Deposit date:2020-08-17
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.71 Å)
Cite: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
Descriptor: 4F2 cell-surface antigen heavy chain, Consensus mutated Anionic Amino Acid Transporter Light Chain, Xc- System
Authors:Oda, K, Lee, Y, Takemoto, M, Yamashita, K, Nishizawa, T, Nureki, O.
Deposit date:2020-06-17
Release date:2020-12-09
Last modified:2020-12-16
Method:ELECTRON MICROSCOPY (6.2 Å)
Cite: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
Descriptor: N-[3-(4-chloranylphenoxy)-4-methyl-phenyl]propanamide, Transcriptional enhancer factor TEF-1
Authors:Tsuji, Y, Suzuki, M, Yasunaga, M, Hamguchi, K, Saito, J.
Deposit date:2020-07-28
Release date:2021-02-03
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.5 Å)
Cite: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
Descriptor: DNA (28-MER), DNA (29-MER), HTH cro/C1-type domain-containing protein, ...
Authors:Song, Y.J, Luo, G.H, Bao, R.
Deposit date:2020-08-17
Release date:2021-01-13
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.29 Å)
Cite: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
Descriptor: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, DI(HYDROXYETHYL)ETHER, Endoplasmin, ...
Authors:Huard, D.J.E, Lieberman, R.L.
Deposit date:2017-08-25
Release date:2018-04-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.35 Å)
Cite: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
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Pyridoxamine 5'-phosphate oxidase-related, ...
Authors:Ahmed, F.H, Antoney, J, Carr, P.D, Jackson, C.J.
Deposit date:2018-08-07
Release date:2018-12-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.69 Å)
Cite: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.
Descriptor: Host-nuclease inhibitor protein gam, RecBCD enzyme subunit RecB, RecBCD enzyme subunit RecC, ...
Authors:Wilkinson, M, Chaban, Y, Wigley, D.B.
Deposit date:2016-11-08
Release date:2017-01-11
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite: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
Descriptor: ATP-dependent Clp protease proteolytic subunit, mitochondrial, Acyldepsipeptide ADEP-28
Authors:Mabanglo, M.F, Houry, W.A.
Deposit date:2017-10-17
Release date:2018-07-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.796 Å)
Cite:Acyldepsipeptide Analogs Dysregulate Human Mitochondrial ClpP Protease Activity and Cause Apoptotic Cell Death.
Cell Chem Biol, 25, 2018

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数据于2024-10-16公开中

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