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6JCJ
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BU of 6jcj by Molmil
Structure of crolibulin in complex with tubulin
Descriptor: (4R)-2,7,8-triamino-4-(3-bromo-4,5-dimethoxyphenyl)-4H-1-benzopyran-3-carbonitrile, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Zhang, Z, Yang, J.
Deposit date:2019-01-29
Release date:2019-03-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular mechanism of crolibulin in complex with tubulin provides a rationale for drug design.
Biochem. Biophys. Res. Commun., 511, 2019
5XSJ
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BU of 5xsj by Molmil
XylFII-LytSN complex
Descriptor: Periplasmic binding protein/LacI transcriptional regulator, Signal transduction histidine kinase, LytS, ...
Authors:Li, J.X, Wang, C.Y, Zhang, P.
Deposit date:2017-06-14
Release date:2017-08-02
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.202 Å)
Cite:Molecular mechanism of environmental d-xylose perception by a XylFII-LytS complex in bacteria
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
7D8T
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BU of 7d8t by Molmil
MITF bHLHLZ complex with M-box DNA
Descriptor: DNA (5'-D(*TP*GP*TP*AP*AP*CP*AP*TP*GP*TP*GP*TP*CP*CP*CP*C)-3'), DNA (5'-D(P*GP*GP*GP*AP*CP*AP*CP*AP*TP*GP*TP*TP*AP*CP*AP*G)-3'), Microphthalmia-associated transcription factor,Methionyl-tRNA synthetase beta subunit
Authors:Guo, M, Fang, P, Wang, J.
Deposit date:2020-10-09
Release date:2021-10-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.201 Å)
Cite:A unique hyperdynamic dimer interface permits small molecule perturbation of the melanoma oncoprotein MITF for melanoma therapy.
Cell Res., 33, 2023
7D8R
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BU of 7d8r by Molmil
MITF HLHLZ structure
Descriptor: Microphthalmia-associated transcription factor,Methionyl-tRNA synthetase beta subunit
Authors:Guo, M, Fang, P, Wang, J.
Deposit date:2020-10-09
Release date:2021-10-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:A unique hyperdynamic dimer interface permits small molecule perturbation of the melanoma oncoprotein MITF for melanoma therapy.
Cell Res., 33, 2023
7D8S
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BU of 7d8s by Molmil
MITF bHLHLZ apo structure
Descriptor: Microphthalmia-associated transcription factor,Methionyl-tRNA synthetase beta subunit, SULFATE ION
Authors:Guo, M, Fang, P, Wang, J.
Deposit date:2020-10-09
Release date:2021-10-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:A unique hyperdynamic dimer interface permits small molecule perturbation of the melanoma oncoprotein MITF for melanoma therapy.
Cell Res., 33, 2023
7EOD
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BU of 7eod by Molmil
MITF HLHLZ Delta AKE
Descriptor: GLYCEROL, Isoform M1 of Microphthalmia-associated transcription factor
Authors:Li, P, Liu, Z, Fang, P, Wang, J.
Deposit date:2021-04-22
Release date:2022-04-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A unique hyperdynamic dimer interface permits small molecule perturbation of the melanoma oncoprotein MITF for melanoma therapy.
Cell Res., 33, 2023
6IR5
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BU of 6ir5 by Molmil
P domain of GII.3-TV24
Descriptor: VP1 Capsid protein
Authors:Yang, Y.
Deposit date:2018-11-10
Release date:2019-11-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis of host ligand specificity change of GII porcine noroviruses from their closely related GII human noroviruses.
Emerg Microbes Infect, 8, 2019
6IS5
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BU of 6is5 by Molmil
P domain of GII.3-TV24 with A-tetrasaccharide complex
Descriptor: VP1 Capsid protein, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose
Authors:Yang, Y.
Deposit date:2018-11-15
Release date:2019-11-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Structural basis of host ligand specificity change of GII porcine noroviruses from their closely related GII human noroviruses.
Emerg Microbes Infect, 8, 2019
7V9U
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BU of 7v9u by Molmil
Cryo-EM structure of E.coli retron-Ec86 (RT-msDNA-RNA) at 3.2 angstrom
Descriptor: DNA (105-MER), RNA (5'-R(P*CP*GP*UP*AP*AP*GP*GP*G)-3'), RNA (81-MER), ...
Authors:Wang, Y.J, Guan, Z.Y, Zou, T.T.
Deposit date:2021-08-26
Release date:2022-08-31
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Cryo-EM structures of Escherichia coli Ec86 retron complexes reveal architecture and defence mechanism.
Nat Microbiol, 7, 2022
9KBG
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BU of 9kbg by Molmil
The structure of B19V NS1_2-570/AMPPNP
Descriptor: MAGNESIUM ION, Non-structural protein 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Gan, J, Zhang, Y.
Deposit date:2024-10-30
Release date:2025-07-09
Method:ELECTRON MICROSCOPY (2.75 Å)
Cite:Structural and functional studies of the main replication protein NS1 of human parvovirus B19.
Nucleic Acids Res., 53, 2025
7C53
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BU of 7c53 by Molmil
Crystal Structure of SARS-CoV-2 HR1 motif in complex with pan-CoVs inhibitor EK1
Descriptor: CALCIUM ION, Spike protein S2',pan-CoVs inhibitor EK1
Authors:Zhu, Y, Yang, X, Sun, F.
Deposit date:2020-05-19
Release date:2021-05-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.278 Å)
Cite:Structural and functional basis for pan-CoV fusion inhibitors against SARS-CoV-2 and its variants with preclinical evaluation.
Signal Transduct Target Ther, 6, 2021
9KBJ
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BU of 9kbj by Molmil
The structure of B19V NS1_200-501/AMPPNP
Descriptor: MAGNESIUM ION, Non-structural protein 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Gan, J, Zhang, Y.
Deposit date:2024-10-30
Release date:2025-07-09
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural and functional studies of the main replication protein NS1 of human parvovirus B19.
Nucleic Acids Res., 53, 2025
9KBH
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BU of 9kbh by Molmil
The structure of B19V NS1_2-570/ssDNA/AMPPNP
Descriptor: DNA (67-MER), MAGNESIUM ION, Non-structural protein 1, ...
Authors:Gan, J, Zhang, Y.
Deposit date:2024-10-30
Release date:2025-07-09
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural and functional studies of the main replication protein NS1 of human parvovirus B19.
Nucleic Acids Res., 53, 2025
9KBI
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BU of 9kbi by Molmil
The structure of B19V NS1_2-570/dsDNA/AMPPNP
Descriptor: DNA (48-MER), MAGNESIUM ION, Non-structural protein 1, ...
Authors:Gan, J, Zhang, Y.
Deposit date:2024-10-30
Release date:2025-07-09
Method:ELECTRON MICROSCOPY (3.43 Å)
Cite:Structural and functional studies of the main replication protein NS1 of human parvovirus B19.
Nucleic Acids Res., 53, 2025
8GWA
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BU of 8gwa by Molmil
Structure of the intact photosynthetic light-harvesting antenna-reaction center complex from a green sulfur bacterium
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, 2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,4-trimethyl-benzene, ...
Authors:Chen, J.H, Zhang, X.
Deposit date:2022-09-16
Release date:2022-11-23
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Cryo-electron microscopy structure of the intact photosynthetic light-harvesting antenna-reaction center complex from a green sulfur bacterium.
J Integr Plant Biol, 65, 2023
9HBO
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BU of 9hbo by Molmil
Highly optimized CNS penetrant inhibitors of EGFR Exon20 Insertion Mutations. Compound 51 bound to EGFRinsNPG [V948R]
Descriptor: 1-[2-[5-[1-[bis(fluoranyl)methyl]-5-methyl-pyrazol-4-yl]-2,4-bis(fluoranyl)phenyl]-3-pyrimidin-4-yl-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]propan-1-one, Epidermal growth factor receptor
Authors:Felisberto-Rodrigues, C, Hargreaves, D.
Deposit date:2024-11-07
Release date:2025-02-05
Last modified:2025-02-26
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Highly Optimized CNS Penetrant Inhibitors of EGFR Exon20 Insertion Mutations.
J.Med.Chem., 68, 2025
9D52
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BU of 9d52 by Molmil
Structure of PAK4 in complex with compound 18
Descriptor: 1,2-ETHANEDIOL, 2-cyano-N-[3-({6-[(5-cyclopropyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl}amino)bicyclo[1.1.1]pentan-1-yl]acetamide, Serine/threonine-protein kinase PAK 4
Authors:Boone, C, Suto, R, Olland, A.
Deposit date:2024-08-13
Release date:2025-04-02
Last modified:2025-06-25
Method:X-RAY DIFFRACTION (2.449 Å)
Cite:Identification of a p21-activated kinase 1 (PAK1) inhibitor with 10-fold selectivity against PAK2.
Bioorg.Med.Chem.Lett., 2025
8H1R
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BU of 8h1r by Molmil
Crystal structure of LptDE-YifL complex
Descriptor: (2R)-3-{[(2S)-3-HYDROXY-2-(PALMITOYLAMINO)PROPYL]THIO}PROPANE-1,2-DIYL DIHEXADECANOATE, LPS-assembly lipoprotein LptE, LPS-assembly protein LptD, ...
Authors:Luo, Q, Huang, Y.
Deposit date:2022-10-03
Release date:2023-10-25
Last modified:2025-05-21
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Surface lipoprotein sorting by crosstalk between Lpt and Lol pathways in gram-negative bacteria
Nat Commun, 16, 2025
8H1S
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BU of 8h1s by Molmil
Crystal structure of apo-LptDE complex
Descriptor: LPS-assembly lipoprotein LptE, LPS-assembly protein LptD
Authors:Luo, Q, Huang, Y.
Deposit date:2022-10-03
Release date:2023-10-11
Last modified:2025-05-21
Method:X-RAY DIFFRACTION (3.28 Å)
Cite:Surface lipoprotein sorting by crosstalk between Lpt and Lol pathways in gram-negative bacteria
Nat Commun, 16, 2025
5MIO
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BU of 5mio by Molmil
KIF2C-DARPIN FUSION PROTEIN BOUND TO TUBULIN
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF2C,KIF2C FUSED TO A DARPIN,KIF2C FUSED TO A DARPIN, ...
Authors:Wang, W, Gigant, B.
Deposit date:2016-11-28
Release date:2017-07-19
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Insight into microtubule disassembly by kinesin-13s from the structure of Kif2C bound to tubulin.
Nat Commun, 8, 2017
8GQD
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BU of 8gqd by Molmil
Complex Structure of Arginine Kinase McsB and McsA from Staphylococcus aureus
Descriptor: Protein-arginine kinase, Protein-arginine kinase activator protein, ZINC ION
Authors:Lu, K, Luo, B, Tao, X, Li, H, Xie, Y, Zhao, Z, Xia, W, Su, Z, Mao, Z.
Deposit date:2022-08-30
Release date:2024-03-06
Last modified:2024-09-18
Method:ELECTRON MICROSCOPY (3.41 Å)
Cite:Complex structure and activation mechanism of arginine kinase McsB by McsA.
Nat.Chem.Biol., 2024
1I37
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BU of 1i37 by Molmil
CRYSTAL STRUCTURE OF THE RAT ANDROGEN RECEPTOR LIGAND BINDING DOMAIN COMPLEX WITH DIHYDROTESTOSTERONE
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, ANDROGEN RECEPTOR
Authors:Sack, J.S.
Deposit date:2001-02-13
Release date:2001-03-21
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic structures of the ligand-binding domains of the androgen receptor and its T877A mutant complexed with the natural agonist dihydrotestosterone.
Proc.Natl.Acad.Sci.USA, 98, 2001
1I38
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BU of 1i38 by Molmil
CRYSTAL STRUCTURE OF THE RAT ANDROGEN RECEPTOR LIGAND BINDING DOMAIN T877A MUTANT COMPLEX WITH DIHYDROTESTOSTERONE
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, ANDROGEN RECEPTOR
Authors:Sack, J.S.
Deposit date:2001-02-13
Release date:2001-03-21
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic structures of the ligand-binding domains of the androgen receptor and its T877A mutant complexed with the natural agonist dihydrotestosterone.
Proc.Natl.Acad.Sci.USA, 98, 2001
8I8Y
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BU of 8i8y by Molmil
A mutant of the C-terminal complex of proteins 4.1G and NuMA
Descriptor: Engineered protein
Authors:Hu, X.
Deposit date:2023-02-06
Release date:2023-04-19
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Combined prediction and design reveals the target recognition mechanism of an intrinsically disordered protein interaction domain.
Proc.Natl.Acad.Sci.USA, 120, 2023
6J0Q
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BU of 6j0q by Molmil
Crystal structure of P domain from GII.11 swine norovirus
Descriptor: VP1 capsid protein
Authors:Chen, Y.
Deposit date:2018-12-25
Release date:2019-11-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of host ligand specificity change of GII porcine noroviruses from their closely related GII human noroviruses.
Emerg Microbes Infect, 8, 2019

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