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8TVV
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Cryo-EM structure of backtracked Pol II
分子名称: DNA (NTS), DNA (TS), DNA-directed RNA polymerase II subunit RPB1, ...
著者Sarsam, R.D, Lahiri, I, Leschziner, A.E.
登録日2023-08-18
公開日2024-01-24
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Elf1 promotes Rad26's interaction with lesion-arrested Pol II for transcription-coupled repair.
Proc.Natl.Acad.Sci.USA, 121, 2024
5Q07
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BU of 5q07 by Molmil
Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(4-bromo-6-morpholin-4-ylpyridin-2-yl)-3-[5-(2-methoxyethyl)-4-methylthiophen-2-yl]sulfonylurea
分子名称: Fructose-1,6-bisphosphatase 1, N-{[4-bromo-6-(morpholin-4-yl)pyridin-2-yl]carbamoyl}-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide
著者Ruf, A, Joseph, C, Alker, A, Banner, D, Tetaz, T, Benz, J, Kuhn, B, Rudolph, M.G, Yang, H, Shao, C, Burley, S.K.
登録日2017-04-16
公開日2019-01-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.424 Å)
主引用文献Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(4-bromo-6-morpholin-4-ylpyridin-2-yl)-3-[5-(2-methoxyethyl)-4-methylthiophen-2-yl]sulfonylurea
To be published
5EGU
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BU of 5egu by Molmil
FIRST DOMAIN OF HUMAN BROMODOMAIN BRD4 IN COMPLEX WITH INHIBITOR 3-Butyl-8-(6-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)-7-ethyl-3,7-dihydropurine-2,6-dione
分子名称: 1,2-ETHANEDIOL, 3-butyl-8-[(6-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-7-ethyl-purine-2,6-dione, Bromodomain-containing protein 4
著者Raux, B, Rebuffet, E, Betzi, S, Priet, S, Morelli, X.
登録日2015-10-27
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Exploring Selective Inhibition of the First Bromodomain of the Human Bromodomain and Extra-terminal Domain (BET) Proteins.
J.Med.Chem., 59, 2016
8TVQ
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BU of 8tvq by Molmil
Cryo-EM structure of CPD stalled 10-subunit Pol II in complex with Rad26
分子名称: DNA (NTS), DNA (TS), DNA repair and recombination protein RAD26, ...
著者Sarsam, R.D, Lahiri, I, Leschziner, A.E.
登録日2023-08-18
公開日2024-01-24
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Elf1 promotes Rad26's interaction with lesion-arrested Pol II for transcription-coupled repair.
Proc.Natl.Acad.Sci.USA, 121, 2024
8TVX
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BU of 8tvx by Molmil
Cryo-EM structure of CPD-stalled Pol II (Conformation 2)
分子名称: DNA (NTS), DNA (TS), DNA-directed RNA polymerase II subunit RPB1, ...
著者Sarsam, R.D, Lahiri, I, Leschziner, A.E.
登録日2023-08-18
公開日2024-01-24
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Elf1 promotes Rad26's interaction with lesion-arrested Pol II for transcription-coupled repair.
Proc.Natl.Acad.Sci.USA, 121, 2024
6PRN
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BU of 6prn by Molmil
E1M, K50A, R52A MUTANT OF RH. BLASTICA PORIN
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, PORIN
著者Maveyraud, L, Schmid, B, Schulz, G.E.
登録日1998-06-12
公開日1998-08-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Porin mutants with new channel properties.
Protein Sci., 7, 1998
1NIW
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BU of 1niw by Molmil
Crystal structure of endothelial nitric oxide synthase peptide bound to calmodulin
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Nitric-oxide synthase, ...
著者Aoyagi, M, Arvai, A.S, Tainer, J.A, Getzoff, E.D.
登録日2002-12-26
公開日2003-02-18
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural basis for endothelial nitric oxide synthase binding to calmodulin
Embo J., 22, 2003
8TVY
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BU of 8tvy by Molmil
Cryo-EM structure of CPD lesion containing RNA Polymerase II elongation complex with Rad26 and Elf1 (closed state)
分子名称: DNA (NTS), DNA (TS), DNA-directed RNA polymerase II subunit RPB1, ...
著者Sarsam, R.D, Lahiri, I, Leschziner, A.E.
登録日2023-08-18
公開日2024-01-24
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Elf1 promotes Rad26's interaction with lesion-arrested Pol II for transcription-coupled repair.
Proc.Natl.Acad.Sci.USA, 121, 2024
8TVW
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BU of 8tvw by Molmil
Cryo-EM structure of CPD-stalled Pol II (conformation 1)
分子名称: DNA (NTS), DNA (TS), DNA-directed RNA polymerase II subunit RPB1, ...
著者Sarsam, R.D, Lahiri, I, Leschziner, A.E.
登録日2023-08-18
公開日2024-01-24
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Elf1 promotes Rad26's interaction with lesion-arrested Pol II for transcription-coupled repair.
Proc.Natl.Acad.Sci.USA, 121, 2024
6P0P
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BU of 6p0p by Molmil
Human beta-tryptase co-crystal structure with 5-{4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl}-2-(3'-{4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl}-[1,1'-biphenyl]-3-yl)-2-hydroxy-2H-1,3,2-benzodioxaborol-2-uide
分子名称: (3'-{4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl}[1,1'-biphenyl]-3-yl){4-[3-(aminomethyl)phenyl]piperidin-1-yl}[3,4-di(hydroxy-kappaO)phenyl]methanonato(2-)hydroxyborate(1-), 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, SULFATE ION, ...
著者Giardina, S.F, Pingle, M.R, Werner, D.S, Feinberg, P.B, Foreman, K.W, Bergstrom, D.E, Arnold, L.D, Barany, F.
登録日2019-05-17
公開日2020-03-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Novel, Self-Assembling Dimeric Inhibitors of Human beta Tryptase.
J.Med.Chem., 63, 2020
8TVS
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BU of 8tvs by Molmil
Cryo-EM structure of backtracked Pol II in complex with Rad26
分子名称: DNA (NTS), DNA (TS), DNA repair and recombination protein RAD26, ...
著者Sarsam, R.D, Lahiri, I, Leschziner, A.E.
登録日2023-08-18
公開日2024-01-24
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Elf1 promotes Rad26's interaction with lesion-arrested Pol II for transcription-coupled repair.
Proc.Natl.Acad.Sci.USA, 121, 2024
6I37
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BU of 6i37 by Molmil
Crystal structure of nv1Pizza6-AYW, a circularly permuted designer protein
分子名称: SULFATE ION, nv1Pizza6-AYW
著者Mylemans, B, Noguchi, H, Deridder, E, Voet, A.R.D.
登録日2018-11-05
公開日2019-11-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Influence of circular permutations on the structure and stability of a six-fold circular symmetric designer protein.
Protein Sci., 2020
5ARG
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BU of 5arg by Molmil
SMYD2 in complex with SGC probe BAY-598
分子名称: GLYCEROL, N-LYSINE METHYLTRANSFERASE SMYD2, N-[1-(N'-CYANO-N-[3-(DIFLUOROMETHOXY)PHENYL]CARBAMIMIDOYL)-3-(3,4-DICHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-4-YL]-N-ETHYL-2-HYDROXYACETAMIDE, ...
著者Hillig, R.C, Badock, V, Barak, N, Stellfeld, T, Eggert, E, ter Laak, A, Weiske, J, Christ, C.D, Koehr, S, Stoeckigt, D, Mowat, J, Mueller, T, Fernandez-Montalvan, A.E, Hartung, I.V, Stresemann, C, Brumby, T, Weinmann, H.
登録日2015-09-24
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Discovery and Characterization of a Highly Potent and Selective Aminopyrazoline-Based in Vivo Probe (Bay-598) for the Protein Lysine Methyltransferase Smyd2.
J.Med.Chem., 59, 2016
7SGS
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BU of 7sgs by Molmil
Cryo-EM structure of full-length MAP7 bound to the microtubule
分子名称: Ensconsin, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Ferro, L.S, Fang, Q, Eshun-Wilson, L, Fernandes, J, Jack, A, Farrell, D.P, Golcuk, M, Huijben, T, Costa, K, Gur, M, DiMaio, F, Nogales, E, Yildiz, A.
登録日2021-10-07
公開日2022-05-18
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural and functional insight into regulation of kinesin-1 by microtubule-associated protein MAP7.
Science, 375, 2022
8TUG
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BU of 8tug by Molmil
Cryo-EM structure of CPD-stalled Pol II in complex with Rad26 (engaged state)
分子名称: DNA (NTS), DNA (TS), DNA repair and recombination protein RAD26, ...
著者Sarsam, R.D, Lahiri, I, Leschziner, A.E.
登録日2023-08-16
公開日2024-01-24
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Elf1 promotes Rad26's interaction with lesion-arrested Pol II for transcription-coupled repair.
Proc.Natl.Acad.Sci.USA, 121, 2024
6U9N
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BU of 6u9n by Molmil
MLL1 SET N3861I/Q3867L bound to inhibitor 14 (TC-5139)
分子名称: 5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(4-chlorophenyl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine, Histone-lysine N-methyltransferase, ZINC ION
著者Petrunak, E.M, Stuckey, J.A.
登録日2019-09-09
公開日2020-07-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of Potent Small-Molecule Inhibitors of MLL Methyltransferase.
Acs Med.Chem.Lett., 11, 2020
6I8L
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BU of 6i8l by Molmil
Crystal structure of Spindlin1 in complex with the inhibitor TD001851a
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 5'-(cyclopropylmethoxy)-6'-[3-(1,3-dihydroisoindol-2-yl)propoxy]spiro[cyclopentane-1,3'-indole]-2'-amine, ...
著者Johansson, C, Fagan, V, Brennan, P.E, Sorrell, F.J, Krojer, T, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T.
登録日2018-11-20
公開日2018-12-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function.
J.Med.Chem., 62, 2019
5EIS
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BU of 5eis by Molmil
FIRST DOMAIN OF HUMAN BROMODOMAIN BRD4 IN COMPLEX WITH INHIBITOR 3-(4-Chlorobenzyl)-7-ethyl-3,7-dihydropurine-2,6-dione
分子名称: 1,2-ETHANEDIOL, 3-[(4-chlorophenyl)methyl]-7-ethyl-purine-2,6-dione, Bromodomain-containing protein 4
著者Raux, B, Rebuffet, E, Betzi, S, Morelli, X.
登録日2015-10-30
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Exploring Selective Inhibition of the First Bromodomain of the Human Bromodomain and Extra-terminal Domain (BET) Proteins.
J.Med.Chem., 59, 2016
5B6X
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BU of 5b6x by Molmil
A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 760 ns after photoexcitation
分子名称: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
著者Royant, A, Nango, E, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S.
登録日2016-06-02
公開日2016-12-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A three-dimensional movie of structural changes in bacteriorhodopsin
Science, 354, 2016
7S3O
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BU of 7s3o by Molmil
NMR Solution Structure of hGal(2-12)KK, a solubility-tagged truncation of the human neuropeptide galanin
分子名称: Galanin
著者Kraichely, K.N, Clinkscales, S.E, Parnham, S, Giuliano, M.W.
登録日2021-09-07
公開日2022-05-25
最終更新日2022-07-06
実験手法SOLUTION NMR
主引用文献Minimal Increments of Hydrophobic Collapse within the N-Terminus of the Neuropeptide Galanin.
Biochemistry, 61, 2022
7S3C
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Crystal structure of intact U2AF65 RRM-region bound to AdML-A5 oligonucleotide
分子名称: DNA/RNA (5'-R(P*UP*UP*(UD)P*AP*U)-D(P*(BRU))-R(P*CP*C)-3'), Splicing factor U2AF 65 kDa subunit
著者Glasser, E, Jenkins, J.L, Kielkopf, C.L.
登録日2021-09-05
公開日2022-05-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Pre-mRNA splicing factor U2AF2 recognizes distinct conformations of nucleotide variants at the center of the pre-mRNA splice site signal.
Nucleic Acids Res., 50, 2022
8TYO
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BU of 8tyo by Molmil
Structural and biochemical rationale for Beta variant protein booster vaccine broad cross-neutralization of SARS-CoV-2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Bruch, E.M, Rak, A.
登録日2023-08-25
公開日2024-02-07
実験手法ELECTRON MICROSCOPY (2.75 Å)
主引用文献Structural and biochemical rationale for Beta variant protein booster vaccine broad cross-neutralization of SARS-CoV-2.
Sci Rep, 14, 2024
7S1X
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Cryo-EM structure of human NKCC1 K289NA492EL671C bound with bumetanide
分子名称: 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid, CHLORIDE ION, POTASSIUM ION, ...
著者Zhao, Y.X, Cao, E.H.
登録日2021-09-02
公開日2022-05-25
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural basis for inhibition of the Cation-chloride cotransporter NKCC1 by the diuretic drug bumetanide
Nat Commun, 13, 2022
4CQE
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BU of 4cqe by Molmil
B-Raf Kinase V600E mutant in complex with a diarylthiazole B-Raf Inhibitor
分子名称: N-{4-[2-(1-cyclopropylpiperidin-4-yl)-4-(3-{[(2,5-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)-1,3-thiazol-5-yl]pyridin-2-yl}acetamide, SLC45A3-BRAF FUSION PROTEIN
著者Casale, E, Fasolini, M, Pulici, M, Traquandi, G, Marchionni, C, Modugno, M, Lupi, R, Amboldi, N, Colombo, N, Corti, L, Gasparri, F, Pastori, W, Scolaro, A, Donati, D, Felder, E, Galvani, A, Isacchi, A, Pesenti, E, Ciomei, M.
登録日2014-02-14
公開日2014-12-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Optimization of Diarylthiazole B-Raf Inhibitors: Identification of a Compound Endowed with High Oral Antitumor Activity, Mitigated Herg Inhibition, and Low Paradoxical Effect.
Chemmedchem, 10, 2015
7S3R
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BU of 7s3r by Molmil
NMR Solution Structure of hGal(1-12)KK, a solubility-tagged truncation of the human neuropeptide galanin
分子名称: Galanin
著者Kraichely, K.N, Mendoza, E.A, Parnham, S, Giuliano, M.W.
登録日2021-09-08
公開日2022-05-25
最終更新日2022-07-06
実験手法SOLUTION NMR
主引用文献Minimal Increments of Hydrophobic Collapse within the N-Terminus of the Neuropeptide Galanin.
Biochemistry, 61, 2022

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