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5Z9C
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BU of 5z9c by Molmil
Solution NMR structures of BRD4 first bromodomain with small compound MMQO
Descriptor: 8-methoxy-6-methylquinolin-4(1H)-one, Bromodomain-containing protein 4
Authors:Zeng, L, Zhou, M.-M.
Deposit date:2018-02-02
Release date:2018-02-14
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:A New Quinoline BRD4 Inhibitor Targets a Distinct Latent HIV-1 Reservoir for Reactivation from Other "Shock" Drugs.
J. Virol., 92, 2018
5ZPV
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BU of 5zpv by Molmil
Solution Structure of Thioredoxin-Like Effector Protein (TRX3) from Edwardsiella piscicida
Descriptor: Thioredoxin (H-type,TRX-H)
Authors:Sayed, A.M, Mok, Y.K.
Deposit date:2018-04-16
Release date:2019-05-22
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Trxlp, a thioredoxin-like effector from Edwardsiella piscicida inhibits cellular redox signaling and nuclear translocation of NF-kappa B.
Int.J.Biol.Macromol., 148, 2020
5ZMR
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BU of 5zmr by Molmil
Solution Structure of the N-terminal Domain of the Yeast Rpn5
Descriptor: 26S proteasome regulatory subunit RPN5
Authors:Zhang, W, Zhao, C, Li, H, Hu, Y, Jin, C.
Deposit date:2018-04-05
Release date:2018-09-26
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structure of the N-terminal domain of proteasome lid subunit Rpn5
Biochem. Biophys. Res. Commun., 504, 2018
5YXI
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BU of 5yxi by Molmil
Designed protein dRafX6
Descriptor: Designed protein dRafX6
Authors:Liu, R.
Deposit date:2017-12-05
Release date:2018-12-05
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:De novo sequence redesign of a functional Ras-binding domain globally inverted the surface charge distribution and led to extreme thermostability.
Biotechnol.Bioeng., 118, 2021
5Z4B
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BU of 5z4b by Molmil
GB1 structure determination in living eukaryotic cells by in-cell NMR spectroscopy
Descriptor: Protein LG
Authors:Tanaka, T, Teppei, I, Kamoshida, H, Mishima, M, Shirakawa, M, Guentert, P, Ito, Y.
Deposit date:2018-01-10
Release date:2019-01-23
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:High-Resolution Protein 3D Structure Determination in Living Eukaryotic Cells.
Angew.Chem.Int.Ed.Engl., 58, 2019
6O85
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BU of 6o85 by Molmil
Electron cryo-microscopy of the eukaryotic translation initiation factor 2B bound to eukaryotic translation initiation factor 2 from Homo sapiens
Descriptor: 2-(4-chloranylphenoxy)-~{N}-[4-[2-(4-chloranylphenoxy)ethanoylamino]cyclohexyl]ethanamide, Eukaryotic translation initiation factor 2 subunit 1, Eukaryotic translation initiation factor 2 subunit 3, ...
Authors:Nguyen, H.C, Kenner, L.R, Frost, A.S.
Deposit date:2019-03-08
Release date:2019-05-15
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:eIF2B-catalyzed nucleotide exchange and phosphoregulation by the integrated stress response.
Science, 364, 2019
8AVX
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BU of 8avx by Molmil
Cryo-EM structure of DrBphP in Pfr state
Descriptor: BILIVERDINE IX ALPHA, Bacteriophytochrome,Response regulator
Authors:Wahlgren, W.Y, Takala, H, Westenhoff, S.
Deposit date:2022-08-27
Release date:2022-12-21
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural mechanism of signal transduction in a phytochrome histidine kinase.
Nat Commun, 13, 2022
5ZUX
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BU of 5zux by Molmil
Solution Structure of the DNA complex of the C-terminal Domain of Rok
Descriptor: DNA (5'-D(*CP*TP*AP*AP*TP*AP*AP*CP*TP*AP*GP*TP*TP*AP*TP*TP*AP*G)-3'), Rok
Authors:Xia, B, Duan, B.
Deposit date:2018-05-08
Release date:2018-10-17
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:How bacterial xenogeneic silencer rok distinguishes foreign from self DNA in its resident genome.
Nucleic Acids Res., 46, 2018
8AVW
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BU of 8avw by Molmil
Cryo-EM structure of DrBphP in Pr state
Descriptor: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome,Response regulator
Authors:Wahlgren, W.Y, Takala, H, Westenhoff, S.
Deposit date:2022-08-27
Release date:2022-12-21
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.62 Å)
Cite:Structural mechanism of signal transduction in a phytochrome histidine kinase.
Nat Commun, 13, 2022
4ZS0
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BU of 4zs0 by Molmil
Human Aurora A catalytic domain bound to SB-6-OH
Descriptor: 5-hydroxy-1'H-1,2'-bibenzimidazol-2(3H)-one, Aurora kinase A
Authors:Marcaida, M.J, Kilchmann, F, Schick, T, Reymond, J.L.
Deposit date:2015-05-12
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:Discovery of a Selective Aurora A Kinase Inhibitor by Virtual Screening.
J.Med.Chem., 59, 2016
8U5Y
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BU of 8u5y by Molmil
human RADX trimer bound to ssDNA
Descriptor: DNA (25-MER), RPA-related protein RADX
Authors:Balakrishnan, S, Chazin, W.J.
Deposit date:2023-09-13
Release date:2023-10-11
Last modified:2023-10-18
Method:ELECTRON MICROSCOPY (3.01 Å)
Cite:Structure of RADX and mechanism for regulation of RAD51 nucleofilaments.
Biorxiv, 2023
5DLS
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BU of 5dls by Molmil
Identification of Novel, in vivo Active Chk1 Inhibitors Utilizing Structure Guided Drug Design
Descriptor: 1-benzyl-N-(5-{5-[3-(dimethylamino)-2,2-dimethylpropoxy]-1H-indol-2-yl}-6-oxo-1,6-dihydropyridin-3-yl)-1H-pyrazole-4-carboxamide, SULFATE ION, Serine/threonine-protein kinase Chk1
Authors:Massey, A.J, Stokes, S, Browne, H, Foloppe, N, Fiumana, A, Scrace, S, Fallowfield, M, Bedford, S, Webb, P, Baker, L.M, Christie, M, Drysdale, M.J, Wood, M.
Deposit date:2015-09-07
Release date:2015-10-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Identification of novel, in vivo active Chk1 inhibitors utilizing structure guided drug design.
Oncotarget, 6, 2015
7W4U
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BU of 7w4u by Molmil
Structure of the M. tuberculosis HtrA S407A mutant at room-temperature
Descriptor: Probable serine protease HtrA1
Authors:Gupta, A.K, Gopal, B.
Deposit date:2021-11-29
Release date:2022-12-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Allosteric Determinants in High Temperature Requirement A Enzymes Are Conserved and Regulate the Population of Active Conformations.
Acs Chem.Biol., 18, 2023
6A62
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BU of 6a62 by Molmil
Placental protein 13/galectin-13 variant R53HH57RD33G with Lactose
Descriptor: Galactoside-binding soluble lectin 13, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Su, J.
Deposit date:2018-06-26
Release date:2018-12-26
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Resetting the ligand binding site of placental protein 13/galectin-13 recovers its ability to bind lactose
Biosci. Rep., 38, 2018
7W4S
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BU of 7w4s by Molmil
Structure of the M. tuberculosis HtrA S363A mutant at room-temperature
Descriptor: Probable serine protease HtrA1
Authors:Gupta, A.K, Gopal, B.
Deposit date:2021-11-29
Release date:2022-12-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Allosteric Determinants in High Temperature Requirement A Enzymes Are Conserved and Regulate the Population of Active Conformations.
Acs Chem.Biol., 18, 2023
4FHB
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BU of 4fhb by Molmil
Enhancing DHFR catalysis by binding of an allosteric regulator nanobody (Nb179)
Descriptor: Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Oyen, D.
Deposit date:2012-06-06
Release date:2013-04-24
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Mechanistic analysis of allosteric and non-allosteric effects arising from nanobody binding to two epitopes of the dihyrofolate reductase of Escherichia coli.
Biochim.Biophys.Acta, 1834, 2013
7W4V
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BU of 7w4v by Molmil
Structure of the M. tuberculosis HtrA S413A mutant at room temperature
Descriptor: Probable serine protease HtrA1
Authors:Gupta, A.K, Gopal, B.
Deposit date:2021-11-29
Release date:2022-12-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Allosteric Determinants in High Temperature Requirement A Enzymes Are Conserved and Regulate the Population of Active Conformations.
Acs Chem.Biol., 18, 2023
3VQ5
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BU of 3vq5 by Molmil
HIV-1 IN core domain in complex with N-METHYL-1-(4-METHYL-2-PHENYL-1,3-THIAZOL-5-YL)METHANAMINE
Descriptor: CADMIUM ION, CHLORIDE ION, N-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine, ...
Authors:Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J.
Deposit date:2012-03-20
Release date:2013-01-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
J Biomol Screen, 18, 2013
6A17
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BU of 6a17 by Molmil
Crystal structure of CYP90B1 in complex with brassinazole
Descriptor: (2R,3S)-4-(4-chlorophenyl)-2-phenyl-3-(1H-1,2,4-triazol-1-yl)butan-2-ol, CHLORIDE ION, Cytochrome P450 90B1, ...
Authors:Fujiyama, K, Hino, T, Kanadani, M, Mizutani, M, Nagano, S.
Deposit date:2018-06-06
Release date:2019-06-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Structural insights into a key step of brassinosteroid biosynthesis and its inhibition.
Nat.Plants, 5, 2019
5DOU
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BU of 5dou by Molmil
Crystal Structure of Human Carbamoyl phosphate synthetase I (CPS1), ligand-bound form
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
Authors:de Cima, S, Polo, L.M, Fita, I, Rubio, V.
Deposit date:2015-09-11
Release date:2015-12-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of human carbamoyl phosphate synthetase: deciphering the on/off switch of human ureagenesis.
Sci Rep, 5, 2015
7LHT
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BU of 7lht by Molmil
Structure of the LRRK2 dimer
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 2
Authors:Myasnikov, A, Zhu, H, Hixson, P, Xie, B, Yu, K, Pitre, A, Peng, J, Sun, J.
Deposit date:2021-01-26
Release date:2021-06-16
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural analysis of the full-length human LRRK2.
Cell, 184, 2021
7LHW
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BU of 7lhw by Molmil
Structure of the LRRK2 monomer
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 2
Authors:Myasnikov, A, Zhu, H, Hixson, P, Xie, B, Yu, K, Pitre, A, Peng, J, Sun, J.
Deposit date:2021-01-26
Release date:2021-06-16
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural analysis of the full-length human LRRK2.
Cell, 184, 2021
7LI3
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BU of 7li3 by Molmil
Structure of the LRRK2 G2019S mutant
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 2
Authors:Myasnikov, A, Zhu, H, Hixson, P, Xie, B, Yu, K, Pitre, A, Peng, J, Sun, J.
Deposit date:2021-01-26
Release date:2021-06-16
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural analysis of the full-length human LRRK2.
Cell, 184, 2021
7LI4
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BU of 7li4 by Molmil
Structure of LRRK2 after symmetry expansion
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 2
Authors:Myasnikov, A, Zhu, H, Hixson, P, Xie, B, Yu, K, Pitre, A, Peng, J, Sun, J.
Deposit date:2021-01-26
Release date:2021-06-16
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural analysis of the full-length human LRRK2.
Cell, 184, 2021
4HEC
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BU of 4hec by Molmil
Crystal structure of a putative uncharacterized protein from Mycobacterium tuberculosis
Descriptor: MAGNESIUM ION, Putative uncharacterized protein
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-10-03
Release date:2012-10-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mycobacterium tuberculosis Rv2179c Protein Establishes a New Exoribonuclease Family with Broad Phylogenetic Distribution.
J.Biol.Chem., 289, 2014

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