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8TZX
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BU of 8tzx by Molmil
Ternary complex structure of Cereblon-DDB1 bound to WIZ(ZF7) and the molecular glue dWIZ-1
Descriptor: (3S)-3-(5-{(1R)-1-[(2R)-1-ethylpiperidin-2-yl]ethoxy}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)piperidine-2,6-dione, 1,2-ETHANEDIOL, DNA damage-binding protein 1, ...
Authors:Clifton, M.C, Ma, X, Ornelas, E.
Deposit date:2023-08-28
Release date:2024-07-10
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:A molecular glue degrader of the WIZ transcription factor for fetal hemoglobin induction.
Science, 385, 2024
2LE8
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BU of 2le8 by Molmil
The protein complex for DNA replication
Descriptor: DNA replication factor Cdt1, DNA replication licensing factor MCM6
Authors:Liu, C, Wei, Z, Zhu, G.
Deposit date:2011-06-14
Release date:2012-12-19
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural insights into the Cdt1-mediated MCM2-7 chromatin loading
Nucleic Acids Res., 40, 2012
7C85
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BU of 7c85 by Molmil
Esterase AlinE4 mutant-S13A
Descriptor: ACETATE ION, CADMIUM ION, SGNH-hydrolase family esterase
Authors:Li, Z, Li, J.
Deposit date:2020-05-28
Release date:2020-07-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure-guided protein engineering increases enzymatic activities of the SGNH family esterases.
Biotechnol Biofuels, 13, 2020
5YL9
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BU of 5yl9 by Molmil
1.86 Angstrom crystal structure of human Coronavirus 229E fusion core
Descriptor: Spike glycoprotein
Authors:Yang, B, Yan, L, Meng, B, WIlson, I.A.
Deposit date:2017-10-17
Release date:2018-09-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.861 Å)
Cite:Crystal structure of the post-fusion core of the Human coronavirus 229E spike protein at 1.86 angstrom resolution
Acta Crystallogr D Struct Biol, 74, 2018
5CDO
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BU of 5cdo by Molmil
3.15A structure of QPT-1 with S.aureus DNA gyrase and DNA
Descriptor: (2R,4S,4aS)-4',6'-dihydroxy-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidin]-2'-one, (2R,4S,4aS,5R)-6'-hydroxy-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4'(3'H)-dione, (2R,4S,4aS,5S)-6'-hydroxy-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4'(3'H)-dione, ...
Authors:Bax, B.D, Srikannathasan, V, Chan, P.F.
Deposit date:2015-07-04
Release date:2015-12-16
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structural basis of DNA gyrase inhibition by antibacterial QPT-1, anticancer drug etoposide and moxifloxacin.
Nat Commun, 6, 2015
4RA1
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BU of 4ra1 by Molmil
PBP AccA from A. tumefaciens C58 in complex with D-Glucose-2-phosphate
Descriptor: 1,2-ETHANEDIOL, 2-O-phosphono-alpha-D-glucopyranose, 2-O-phosphono-beta-D-glucopyranose, ...
Authors:El Sahili, A, Morera, S.
Deposit date:2014-09-09
Release date:2015-08-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A Pyranose-2-Phosphate Motif Is Responsible for Both Antibiotic Import and Quorum-Sensing Regulation in Agrobacterium tumefaciens.
Plos Pathog., 11, 2015
5CDR
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BU of 5cdr by Molmil
2.65 structure of S.aureus DNA gyrase and artificially nicked DNA
Descriptor: DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*)-3'), DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), DNA (5'-D(*GP*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), ...
Authors:Bax, B.D, Srikannathasan, V, Chan, P.F.
Deposit date:2015-07-04
Release date:2015-12-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural basis of DNA gyrase inhibition by antibacterial QPT-1, anticancer drug etoposide and moxifloxacin.
Nat Commun, 6, 2015
5V3B
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BU of 5v3b by Molmil
Human A20 OTU domain (WT) with acetamidylated C103
Descriptor: Tumor necrosis factor alpha-induced protein 3
Authors:Langley, D.B, Christ, D, Grey, S.
Deposit date:2017-03-07
Release date:2018-03-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3 Å)
Cite:Denisovan, modern human and mouse TNFAIP3 alleles tune A20 phosphorylation and immunity.
Nat.Immunol., 20, 2019
5CDP
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BU of 5cdp by Molmil
2.45A structure of etoposide with S.aureus DNA gyrase and DNA
Descriptor: (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*G*GP*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), DNA gyrase subunit A, ...
Authors:Bax, B.D, Srikannathasan, V, Chan, P.F.
Deposit date:2015-07-04
Release date:2015-12-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural basis of DNA gyrase inhibition by antibacterial QPT-1, anticancer drug etoposide and moxifloxacin.
Nat Commun, 6, 2015
5CEQ
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BU of 5ceq by Molmil
DLK in complex with inhibitor 2-((1-cyclopentyl-5-(1-(oxetan-3-yl)piperidin-4-yl)-1H-pyrazol-3-yl)amino)isonicotinonitrile
Descriptor: 2-[[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]amino]pyridine-4-carbonitrile, Mitogen-activated protein kinase kinase kinase 12
Authors:HARRIS, S.F, YIN, J.
Deposit date:2015-07-07
Release date:2015-10-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.911 Å)
Cite:Scaffold-Hopping and Structure-Based Discovery of Potent, Selective, And Brain Penetrant N-(1H-Pyrazol-3-yl)pyridin-2-amine Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12).
J.Med.Chem., 58, 2015
3LAM
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BU of 3lam by Molmil
Crystal structure of HIV-1 reverse transcriptase in complex with N1-propyl pyrimidinedione non-nucleoside inhibitor
Descriptor: 3-methyl-5-{[5-(1-methylethyl)-2,6-dioxo-3-propyl-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}benzonitrile, HIV Reverse transcriptase, SULFATE ION
Authors:Lansdon, E.B, Mitchell, M.L.
Deposit date:2010-01-06
Release date:2010-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:N1-Alkyl pyrimidinediones as non-nucleoside inhibitors of HIV-1 reverse transcriptase.
Bioorg.Med.Chem.Lett., 20, 2010
7FAW
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BU of 7faw by Molmil
Structure of LW domain from Yeast
Descriptor: Transcription elongation factor S-II
Authors:Liao, S, Gao, J, Tu, X.
Deposit date:2021-07-07
Release date:2022-07-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.438 Å)
Cite:Structural basis for evolutionarily conserved interactions between TFIIS and Paf1C.
Int.J.Biol.Macromol., 253, 2023
5KK0
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BU of 5kk0 by Molmil
Synechocystis ACO mutant - T136A
Descriptor: Apocarotenoid-15,15'-oxygenase, CHLORIDE ION, FE (II) ION
Authors:Sui, X, Kiser, P.D, Palczewski, K.
Deposit date:2016-06-20
Release date:2016-07-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Utilization of Dioxygen by Carotenoid Cleavage Oxygenases.
J.Biol.Chem., 290, 2015
6U2G
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BU of 6u2g by Molmil
BRAF-MEK complex with AMP-PCP bound to BRAF
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
Authors:Liau, N.P.D, Wendorff, T, Hymowitz, S, Sudhamsu, J.
Deposit date:2019-08-19
Release date:2019-08-28
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.886 Å)
Cite:Negative regulation of RAF kinase activity by ATP is overcome by 14-3-3-induced dimerization.
Nat.Struct.Mol.Biol., 27, 2020
3LAN
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BU of 3lan by Molmil
Crystal structure of HIV-1 reverse transcriptase in complex with N1-butyl pyrimidinedione non-nucleoside inhibitor
Descriptor: 3-{[3-butyl-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}-5-methylbenzonitrile, HIV Reverse transcriptase, SULFATE ION
Authors:Lansdon, E.B, Mitchell, M.L.
Deposit date:2010-01-06
Release date:2010-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:N1-Alkyl pyrimidinediones as non-nucleoside inhibitors of HIV-1 reverse transcriptase.
Bioorg.Med.Chem.Lett., 20, 2010
8IYD
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BU of 8iyd by Molmil
Tail cap of phage lambda tail
Descriptor: Tail tube protein, Tail tube terminator protein
Authors:Wang, J.W, Wang, C.
Deposit date:2023-04-04
Release date:2023-10-18
Last modified:2024-01-24
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Architecture of the bacteriophage lambda tail.
Structure, 32, 2024
7FAX
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BU of 7fax by Molmil
Complex structure of TbLeo1 and LW domain from Trypanosoma brucei
Descriptor: TbLW, TbLeo1 peptide
Authors:Liao, S, Gao, J, Tu, X.
Deposit date:2021-07-07
Release date:2022-07-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for evolutionarily conserved interactions between TFIIS and Paf1C.
Int.J.Biol.Macromol., 253, 2023
8IYK
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BU of 8iyk by Molmil
Tail tip conformation 1 of phage lambda tail
Descriptor: IRON/SULFUR CLUSTER, Tail tip assembly protein I, Tail tip protein L, ...
Authors:Wang, J.W, Wang, C.
Deposit date:2023-04-05
Release date:2023-10-18
Last modified:2024-01-24
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Architecture of the bacteriophage lambda tail.
Structure, 32, 2024
6DDJ
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BU of 6ddj by Molmil
Crystal Structure of the human BRD2 BD2 bromodimain in complex with a Tetrahydroquinoline analogue
Descriptor: 1,2-ETHANEDIOL, 4-{[(2S,4R)-1-acetyl-2-methyl-6-(1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]amino}benzonitrile, Bromodomain-containing protein 2
Authors:White, S.W, Yun, M.
Deposit date:2018-05-10
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Bromodomain-Selective BET Inhibitors Are Potent Antitumor Agents against MYC-Driven Pediatric Cancer.
Cancer Res., 80, 2020
8IYL
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BU of 8iyl by Molmil
Tail tip conformation 2 of phage lambda tail
Descriptor: IRON/SULFUR CLUSTER, Tail tip assembly protein I, Tail tip protein L, ...
Authors:Wang, J.W, Wang, C.
Deposit date:2023-04-05
Release date:2023-10-18
Last modified:2024-01-24
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Architecture of the bacteriophage lambda tail.
Structure, 32, 2024
5W0K
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BU of 5w0k by Molmil
Crystal structure of EBV gHgL/CL40/gp42 N-domain
Descriptor: CL40 IgG heavy chain, CL40 IgG light chain, Envelope glycoprotein H, ...
Authors:Sathiyamoorthy, K, Jardetzky, T.S.
Deposit date:2017-05-31
Release date:2017-10-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Inhibition of EBV-mediated membrane fusion by anti-gHgL antibodies.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6Q32
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BU of 6q32 by Molmil
The structure of the Mo-insertase domain Cnx1E (variant S269DD274S) from Arabidopsis thaliana in complex with Moco-AMP
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, Moco-AMP, ...
Authors:Krausze, J.
Deposit date:2018-12-03
Release date:2021-02-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Mechanism of molybdate insertion into pterin-based molybdenum cofactors.
Nat.Chem., 13, 2021
7LG8
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BU of 7lg8 by Molmil
EGFR (T79M/V948R) in complex with naquotinib and an allosteric inhibitor
Descriptor: (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{6-[4-(1-methylpiperidin-4-yl)phenyl]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide, 6-ethyl-3-[[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]oxy-pyrazin e-2-carboxamide, Epidermal growth factor receptor
Authors:Beyett, T.S, Eck, M.J.
Deposit date:2021-01-19
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Molecular basis for cooperative binding and synergy of ATP-site and allosteric EGFR inhibitors.
Nat Commun, 13, 2022
8X9D
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BU of 8x9d by Molmil
Crystal structure of CO dehydrogenase mutant with increased affinity for electron mediators in high PEG concentration
Descriptor: Carbon monoxide dehydrogenase 2, FE (III) ION, FE(4)-NI(1)-S(4) CLUSTER, ...
Authors:Lee, H.H, Heo, Y, Yoon, H.J, Kim, S.M, Kong, S.Y.
Deposit date:2023-11-30
Release date:2024-04-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Identifying a key spot for electron mediator-interaction to tailor CO dehydrogenase's affinity.
Nat Commun, 15, 2024
5HI9
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BU of 5hi9 by Molmil
Structure of the full-length TRPV2 channel by cryo-electron microscopy
Descriptor: Transient Receptor Potential Cation Channel Subfamily V Member 2
Authors:Huynh, K.W, Cohen, M.R, Jiansen, J, Samanta, A, Lodowski, D.T, Zhou, Z.H, Moiseenkova-Bell, V.Y.
Deposit date:2016-01-11
Release date:2016-03-30
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Structure of the full-length TRPV2 channel by cryo-EM.
Nat Commun, 7, 2016

223532

數據於2024-08-07公開中

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