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5FH8
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BU of 5fh8 by Molmil
Crystal structure of the fifth bromodomain of human PB1 in complex with compound 28
Descriptor: 1,2-ETHANEDIOL, 6-chloranyl-3-(2-ethylbutyl)-4~{H}-pyrrolo[1,2-a]quinazolin-5-one, DIMETHYL SULFOXIDE, ...
Authors:Tallant, C, Sutherell, C.L, Siejka, P, Sorrell, F.J, Krojer, T, Picaud, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Ley, S.V, Knapp, S.
Deposit date:2015-12-21
Release date:2016-06-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Identification and Development of 2,3-Dihydropyrrolo[1,2-a]quinazolin-5(1H)-one Inhibitors Targeting Bromodomains within the Switch/Sucrose Nonfermenting Complex.
J.Med.Chem., 59, 2016
6N3F
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BU of 6n3f by Molmil
Structure of HIV Tat-specific factor 1 U2AF Homology Motif bound to SF3b1 ULM5
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, HIV Tat-specific factor 1, ...
Authors:Leach, J.R, Jenkins, J.L, Kielkopf, C.L.
Deposit date:2018-11-15
Release date:2019-01-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:The pre-mRNA splicing and transcription factor Tat-SF1 is a functional partner of the spliceosome SF3b1 subunit via a U2AF homology motif interface.
J. Biol. Chem., 294, 2019
6N2O
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BU of 6n2o by Molmil
2-oxoglutarate:ferredoxin oxidoreductase from Magnetococcus marinus with 2-oxoglutarate, coenzyme A and succinyl-CoA bound
Descriptor: 2-OXOGLUTARIC ACID, COENZYME A, IRON/SULFUR CLUSTER, ...
Authors:Chen, P.Y.-T, Drennan, C.L.
Deposit date:2018-11-13
Release date:2019-03-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.824 Å)
Cite:A reverse TCA cycle 2-oxoacid:ferredoxin oxidoreductase that makes C-C bonds from CO2.
Joule, 3, 2019
6N3E
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BU of 6n3e by Molmil
Structure of HIV Tat-specific factor 1 U2AF Homology Motif bound to U2AF ligand motif 4
Descriptor: FORMIC ACID, GLYCEROL, HIV Tat-specific factor 1, ...
Authors:Loerch, S, Jenkins, J.L, Kielkopf, C.L.
Deposit date:2018-11-15
Release date:2019-01-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.893 Å)
Cite:The pre-mRNA splicing and transcription factor Tat-SF1 is a functional partner of the spliceosome SF3b1 subunit via a U2AF homology motif interface.
J. Biol. Chem., 294, 2019
6MWX
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BU of 6mwx by Molmil
CryoEM structure of Chimeric Eastern Equine Encephalitis Virus with Fab of EEEV-69 Antibody
Descriptor: E1, E2, EEEV-69 antibody heavy chain, ...
Authors:Hasan, S.S, Sun, C, Kim, A.S, Watanabe, Y, Chen, C.L, Klose, T, Buda, G, Crispin, M, Diamond, M.S, Klimstra, W.B, Rossmann, M.G.
Deposit date:2018-10-30
Release date:2018-12-19
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (8.2 Å)
Cite:Cryo-EM Structures of Eastern Equine Encephalitis Virus Reveal Mechanisms of Virus Disassembly and Antibody Neutralization.
Cell Rep, 25, 2018
5G2X
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BU of 5g2x by Molmil
Structure a of Group II Intron Complexed with its Reverse Transcriptase
Descriptor: 5'-R(*CP*AP*CP*AP*UP*CP*CP*AP*UP*AP*AP*CP)-3', GROUP II INTRON, GROUP II INTRON-ENCODED PROTEIN LTRA
Authors:Qu, G, Kaushal, P.S, Wang, J, Shigematsu, H, Piazza, C.L, Agrawal, R.K, Belfort, M, Wang, H.W.
Deposit date:2016-04-16
Release date:2016-05-11
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structure of a Group II Intron in Complex with its Reverse Transcriptase.
Nat.Struct.Mol.Biol., 23, 2016
5FBK
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BU of 5fbk by Molmil
Crystal structure of the extracellular domain of human calcium sensing receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BICARBONATE ION, CHLORIDE ION, ...
Authors:Zhang, T, Zhang, C, Miller, C.L, Zou, J, Moremen, K.W, Brown, E.M, Yang, J.J, Hu, J.
Deposit date:2015-12-14
Release date:2016-06-22
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for regulation of human calcium-sensing receptor by magnesium ions and an unexpected tryptophan derivative co-agonist.
Sci Adv, 2, 2016
6N3D
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BU of 6n3d by Molmil
Structure of HIV Tat-specific factor 1 U2AF Homology Motif (APO-State)
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Loerch, S, Jenkins, J.L, Kielkopf, C.L.
Deposit date:2018-11-15
Release date:2019-01-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:The pre-mRNA splicing and transcription factor Tat-SF1 is a functional partner of the spliceosome SF3b1 subunit via a U2AF homology motif interface.
J. Biol. Chem., 294, 2019
1FNN
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BU of 1fnn by Molmil
CRYSTAL STRUCTURE OF CDC6P FROM PYROBACULUM AEROPHILUM
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CELL DIVISION CONTROL PROTEIN 6, MAGNESIUM ION
Authors:Liu, J, Smith, C.L, DeRyckere, D, DeAngelis, K, Martin, G.S, Berger, J.M.
Deposit date:2000-08-22
Release date:2000-10-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and function of Cdc6/Cdc18: implications for origin recognition and checkpoint control.
Mol.Cell, 6, 2000
7WQA
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BU of 7wqa by Molmil
SARS-CoV-2 main protease in complex with Z-VAD-FMK
Descriptor: 3C-like proteinase, Z-VAD(OMe)-FMK
Authors:Wang, Y.C, Yang, C.S, Hou, M.H, Tsai, C.L, Chen, Y.
Deposit date:2022-01-25
Release date:2023-03-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:SARS-CoV-2 main protease in complex with Z-VAD-FMK
To Be Published
7WQ9
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BU of 7wq9 by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with Z-IETD-FMK
Descriptor: 3C-like proteinase, Z-IETD-FMK
Authors:Wang, Y.C, Yang, C.S, Hou, M.H, Tsai, C.L, Chen, Y.
Deposit date:2022-01-25
Release date:2023-08-02
Method:X-RAY DIFFRACTION (2.054 Å)
Cite:Crystal structure of SARS-CoV-2 main protease in complex with Z-IETD-FMK
To Be Published
7WQ8
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BU of 7wq8 by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with Z-DEVD-FMK
Descriptor: 3C-like proteinase, Z-DEVD-FMK
Authors:Wang, Y.C, Yang, C.S, Hou, M.H, Tsai, C.L, Chen, Y.
Deposit date:2022-01-24
Release date:2023-08-02
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of SARS-CoV-2 main protease in complex with Z-DEVD-FMK
To Be Published
7WQB
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BU of 7wqb by Molmil
SARS-CoV-2 main protease mutant (P168A) in complex with MG-132
Descriptor: 3C-like proteinase nsp5, MAGNESIUM ION, N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide
Authors:Wang, Y.C, Yang, C.S, Hou, M.H, Tsai, C.L, Chen, Y.
Deposit date:2022-01-25
Release date:2023-08-02
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:SARS-CoV-2 main protease mutant (P168A) in complex with MG-132
To Be Published
7WQK
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BU of 7wqk by Molmil
wild-type SARS-CoV-2 main protease in complex with MG-132
Descriptor: 3C-like proteinase, MAGNESIUM ION, N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide
Authors:Wang, Y.C, Yang, C.S, Hou, M.H, Tsai, C.L, Chen, Y.
Deposit date:2022-01-25
Release date:2023-08-02
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:wild-type SARS-CoV-2 main protease in complex with MG-132
To Be Published
6ND3
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BU of 6nd3 by Molmil
wild-type choline TMA lyase in complex with betaine aldehyde
Descriptor: BETAINE ALDEHYDE, Choline trimethylamine-lyase
Authors:Funk, M.A, Drennan, C.L.
Deposit date:2018-12-13
Release date:2019-01-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.364 Å)
Cite:Structure-Guided Identification of a Small Molecule That Inhibits Anaerobic Choline Metabolism by Human Gut Bacteria.
J.Am.Chem.Soc., 141, 2019
5G2Y
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BU of 5g2y by Molmil
Structure a of Group II Intron Complexed with its Reverse Transcriptase
Descriptor: GROUP II INTRON
Authors:Qu, G, Kaushal, P.S, Wang, J, Shigematsu, H, Piazza, C.L, Agrawal, R.K, Belfort, M, Wang, H.W.
Deposit date:2016-04-16
Release date:2016-05-04
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Structure of a Group II Intron in Complex with its Reverse Transcriptase.
Nat.Struct.Mol.Biol., 23, 2016
5FH7
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BU of 5fh7 by Molmil
Crystal structure of the fifth bromodomain of human PB1 in complex with compound 18
Descriptor: 1,2-ETHANEDIOL, 6-chloranyl-3-[(dimethylamino)methyl]-4~{H}-pyrrolo[1,2-a]quinazolin-5-one, Protein polybromo-1
Authors:Tallant, C, Sutherell, C.L, Siejka, P, Sorrell, F.J, Krojer, T, Picaud, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Ley, S.V, Knapp, S.
Deposit date:2015-12-21
Release date:2016-06-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Identification and Development of 2,3-Dihydropyrrolo[1,2-a]quinazolin-5(1H)-one Inhibitors Targeting Bromodomains within the Switch/Sucrose Nonfermenting Complex.
J.Med.Chem., 59, 2016
5FAV
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BU of 5fav by Molmil
E491Q mutant of choline TMA-lyase
Descriptor: Choline trimethylamine-lyase, MALONATE ION, SODIUM ION
Authors:Funk, M.A, Drennan, C.L.
Deposit date:2015-12-12
Release date:2016-09-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Molecular Basis of C-N Bond Cleavage by the Glycyl Radical Enzyme Choline Trimethylamine-Lyase.
Cell Chem Biol, 23, 2016
1ID3
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BU of 1id3 by Molmil
CRYSTAL STRUCTURE OF THE YEAST NUCLEOSOME CORE PARTICLE REVEALS FUNDAMENTAL DIFFERENCES IN INTER-NUCLEOSOME INTERACTIONS
Descriptor: HISTONE H2A.1, HISTONE H2B.2, HISTONE H3, ...
Authors:White, C.L, Suto, R.K, Luger, K.
Deposit date:2001-04-03
Release date:2001-09-28
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of the yeast nucleosome core particle reveals fundamental changes in internucleosome interactions.
EMBO J., 20, 2001
1G89
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BU of 1g89 by Molmil
STRUCTURE OF THE BOVINE ANTIMICROBIAL PEPTIDE INDOLICIDIN BOUND TO DODECYLPHOSPHOCHOLINE MICELLES
Descriptor: INDOLICIDIN
Authors:Rozek, A, Friedrich, C.L, Hancock, R.E.
Deposit date:2000-11-16
Release date:2000-11-29
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Structure of the bovine antimicrobial peptide indolicidin bound to dodecylphosphocholine and sodium dodecyl sulfate micelles.
Biochemistry, 39, 2000
1I7E
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BU of 1i7e by Molmil
C-Terminal Domain Of Mouse Brain Tubby Protein bound to Phosphatidylinositol 4,5-bis-phosphate
Descriptor: L-ALPHA-GLYCEROPHOSPHO-D-MYO-INOSITOL-4,5-BIS-PHOSPHATE, TUBBY PROTEIN
Authors:Santagata, S, Boggon, T.J, Baird, C.L, Shan, W.S, Shapiro, L.
Deposit date:2001-03-08
Release date:2001-06-27
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:G-protein signaling through tubby proteins.
Science, 292, 2001
1IW2
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BU of 1iw2 by Molmil
X-ray structure of Human Complement Protein C8gamma at pH=7.O
Descriptor: Complement Protein C8gamma
Authors:Ortlund, E, Parker, C.L, Schreck, S.F, Ginell, S, Minor, W, Sodetz, J.M, Lebioda, L.
Deposit date:2002-04-11
Release date:2002-06-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of human complement protein C8gamma at 1.2 A resolution reveals a lipocalin fold and a distinct ligand binding site.
Biochemistry, 41, 2002
5T3W
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BU of 5t3w by Molmil
Marburg virus VP30 bound to nucleoprotein
Descriptor: Fusion protein of Nucleoprotein and Minor nucleoprotein VP30
Authors:Kirchdoerfer, R.K, Moyer, C.L, Abelson, D.M, Saphire, E.O.
Deposit date:2016-08-26
Release date:2016-09-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:The Ebola Virus VP30-NP Interaction Is a Regulator of Viral RNA Synthesis.
Plos Pathog., 12, 2016
5T3T
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BU of 5t3t by Molmil
Ebola virus VP30 CTD bound to nucleoprotein
Descriptor: Fusion protein of Nucleoprotein and Minor nucleoprotein VP30, SULFATE ION
Authors:Kirchdoerfer, R.N, Moyer, C.L, Abelson, D.M, Saphire, E.O.
Deposit date:2016-08-26
Release date:2016-09-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Ebola Virus VP30-NP Interaction Is a Regulator of Viral RNA Synthesis.
Plos Pathog., 12, 2016
5T7Z
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BU of 5t7z by Molmil
Monoclinic crystal form of the EpoB NRPS cyclization-docking bidomain from Sorangium cellulosum
Descriptor: EpoB
Authors:Dowling, D.P, Kung, Y, Croft, A.K, Taghizadeh, K, Kelly, W.L, Walsh, C.T, Drennan, C.L.
Deposit date:2016-09-06
Release date:2016-11-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Structural elements of an NRPS cyclization domain and its intermodule docking domain.
Proc.Natl.Acad.Sci.USA, 113, 2016

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數據於2024-10-16公開中

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