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6NJR
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BU of 6njr by Molmil
Spin-Labeled T177C/A637C Mutant of Rat CYPOR
分子名称: FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Xia, C, Kim, J.J.K.
登録日2019-01-04
公開日2019-02-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural and Functional Studies of the Membrane-Binding Domain of NADPH-Cytochrome P450 Oxidoreductase.
Biochemistry, 58, 2019
6NEO
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BU of 6neo by Molmil
Crystal structure of PprA filament from Deinococcus radiodurans
分子名称: DNA repair protein PprA
著者Szabla, R, Junop, M.S, Rok, M.
登録日2018-12-18
公開日2019-02-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (5.94 Å)
主引用文献Crystal structure of PprA filament from Deinococcus radiodurans
To Be Published
3QQ0
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BU of 3qq0 by Molmil
Crystal structure of a deletion mutant (N59) of 3-deoxy-D-manno-octulosonate 8-phosphate synthase (KDO8PS) from Neisseria meningitidis
分子名称: 2-dehydro-3-deoxyphosphooctonate aldolase, CHLORIDE ION, GLYCEROL, ...
著者Allison, T.M, Jameson, G.B, Parker, E.J.
登録日2011-02-14
公開日2011-04-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Targeting the role of a key conserved motif for substrate selection and catalysis by 3-deoxy-D-manno-octulosonate 8-phosphate synthase
Biochemistry, 50, 2011
3QVX
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BU of 3qvx by Molmil
L-myo-inositol 1-phosphate synthase from Archaeoglobus fulgidus mutant K367A
分子名称: GLYCEROL, Myo-inositol-1-phosphate synthase (Ino1), NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Neelon, K, Roberts, M.F, Stec, B.
登録日2011-02-26
公開日2012-01-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of a trapped catalytic intermediate suggests that forced atomic proximity drives the catalysis of mIPS.
Biophys.J., 101, 2011
4WRS
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BU of 4wrs by Molmil
Crystal structure of human Pim-1 kinase in complex with an azaspiro pyrazinyl-indazole inhibitor.
分子名称: 3-{6-[(4R)-6-azaspiro[2.5]oct-4-yloxy]pyrazin-2-yl}-5-(2,6-difluorophenyl)-1H-indazole, GLYCEROL, Serine/threonine-protein kinase pim-1
著者Mohr, C.
登録日2014-10-25
公開日2015-02-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The discovery of novel 3-(pyrazin-2-yl)-1H-indazoles as potent pan-Pim kinase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
2HB4
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BU of 2hb4 by Molmil
Structure of HIV Protease NL4-3 in an Unliganded State
分子名称: MAGNESIUM ION, Protease, R-1,2-PROPANEDIOL
著者Heaslet, H, Tam, K, Elder, J.H, Stout, C.D.
登録日2006-06-13
公開日2007-06-26
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Conformational flexibility in the flap domains of ligand-free HIV protease.
Acta Crystallogr.,Sect.D, 63, 2007
2H9M
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BU of 2h9m by Molmil
WDR5 in complex with unmodified H3K4 peptide
分子名称: H3 histone, WD-repeat protein 5
著者Min, J.R, Schuetz, A, Allali-Hassani, A, Martin, F, Loppnau, P, Vedadi, M, Weigelt, J, Sundstrom, M, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
登録日2006-06-10
公開日2006-08-01
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for molecular recognition and presentation of histone H3 By WDR5.
Embo J., 25, 2006
6M9K
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BU of 6m9k by Molmil
Crystal structure of lambda exonuclease in complex with the Red beta C-terminal domain
分子名称: Exonuclease, Recombination protein bet, SULFATE ION
著者Bell, C.E, Caldwell, B.J.
登録日2018-08-23
公開日2019-01-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of the Red beta C-terminal domain in complex with lambda Exonuclease reveals an unexpected homology with lambda Orf and an interaction with Escherichia coli single stranded DNA binding protein.
Nucleic Acids Res., 47, 2019
2GNQ
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BU of 2gnq by Molmil
Structure of wdr5
分子名称: CHLORIDE ION, WD-repeat protein 5
著者Min, J, Schuetz, A, Allali-Hassani, A, Loppnau, P, Vedadi, M, Weigelt, J, Sundstrom, M, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
登録日2006-04-10
公開日2006-06-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for molecular recognition and presentation of histone H3 By WDR5.
Embo J., 25, 2006
6O17
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BU of 6o17 by Molmil
Recombinant Human Insulin
分子名称: Insulin chain A, Insulin chain B
著者Reyes-Grajeda, J.P.
登録日2019-02-18
公開日2020-02-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Human WT insulin
To Be Published
2H9N
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BU of 2h9n by Molmil
WDR5 in complex with monomethylated H3K4 peptide
分子名称: H3 histone, WD-repeat protein 5
著者Min, J.R, Schuetz, A, Allali-Hassani, A, Martin, F, Loppnau, P, Vedadi, M, Weigelt, J, Sundstrom, M, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
登録日2006-06-10
公開日2006-08-01
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for molecular recognition and presentation of histone H3 By WDR5.
Embo J., 25, 2006
4ZHC
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BU of 4zhc by Molmil
Siderocalin-mediated recognition and cellular uptake of actinides
分子名称: ACETATE ION, N-{2-[bis(2-{[(2,3-dihydroxyphenyl)carbonyl]amino}ethyl)amino]ethyl}-1-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxamide, Neutrophil gelatinase-associated lipocalin, ...
著者Allred, B.E, Rupert, P.B, Gauny, S.S, An, D.D, Ralston, C.Y, Sturzbecher-Hoehne, M, Strong, R.K, Abergel, R.J.
登録日2015-04-24
公開日2015-08-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Siderocalin-mediated recognition, sensitization, and cellular uptake of actinides.
Proc.Natl.Acad.Sci.USA, 112, 2015
6MR7
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BU of 6mr7 by Molmil
DNA polymerase beta substrate complex with templating adenine and incoming Fapy-dGTP analog
分子名称: 1,2-ETHANEDIOL, 1-[2-amino-5-(formylamino)-6-oxo-1,6-dihydropyrimidin-4-yl]-2,5-anhydro-1,3-dideoxy-6-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-D-ribo-hexitol, CALCIUM ION, ...
著者Freudenthal, B.D, Smith, M.R, Wilson, S.H, Beard, W.A.
登録日2018-10-11
公開日2019-01-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.144 Å)
主引用文献A guardian residue hinders insertion of a Fapy•dGTP analog by modulating the open-closed DNA polymerase transition.
Nucleic Acids Res., 47, 2019
6LU7
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BU of 6lu7 by Molmil
The crystal structure of COVID-19 main protease in complex with an inhibitor N3
分子名称: 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
著者Liu, X, Zhang, B, Jin, Z, Yang, H, Rao, Z.
登録日2020-01-26
公開日2020-02-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Structure of Mprofrom SARS-CoV-2 and discovery of its inhibitors.
Nature, 582, 2020
6LMI
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BU of 6lmi by Molmil
Crystal structure of HIV-1 integrase catalytic core domain in complex with 2-(tert-butoxy)-2-[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-6-methanesulfonamido-2,3',4',5-tetramethyl-[1,1'-biphenyl]-4-yl]acetic acid
分子名称: (2S)-2-[2-(3,4-dihydro-2H-chromen-6-yl)-4-(3,4-dimethylphenyl)-3,6-dimethyl-5-(methylsulfonylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, 1,2-ETHANEDIOL, Integrase catalytic, ...
著者Sugiyama, S, Iwaki, T, Tamura, Y, Tomita, K, Matsuoka, E, Arita, S, Seki, T, Yoshinaga, T, Kawasuji, T.
登録日2019-12-25
公開日2020-09-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of novel integrase-LEDGF/p75 allosteric inhibitors based on a benzene scaffold.
Bioorg.Med.Chem., 28, 2020
6MB6
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BU of 6mb6 by Molmil
AAC-IIIb binary with CoASH
分子名称: Aac(3)-IIIb protein, COENZYME A, MALONATE ION
著者Cuneo, M.J, Kumar, P.
登録日2018-08-29
公開日2018-11-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Encoding of Promiscuity in an Aminoglycoside Acetyltransferase.
J. Med. Chem., 61, 2018
6LMQ
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BU of 6lmq by Molmil
Crystal structure of HIV-1 integrase catalytic core domain in complex with 2-(tert-butoxy)-2-[3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-6-methanesulfonamido-2,3',4',5-tetramethyl-[1,1'-biphenyl]-4-yl]acetic acid
分子名称: (2S)-2-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-4-(3,4-dimethylphenyl)-3,6-dimethyl-5-(methylsulfonylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, Integrase catalytic, SULFATE ION, ...
著者Sugiyama, S, Iwaki, T, Tamura, Y, Tomita, K, Matsuoka, E, Arita, S, Seki, T, Yoshinaga, T, Kawasuji, T.
登録日2019-12-26
公開日2020-09-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of novel integrase-LEDGF/p75 allosteric inhibitors based on a benzene scaffold.
Bioorg.Med.Chem., 28, 2020
4Z28
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BU of 4z28 by Molmil
Crystal structure of short hoefavidin biotin complex
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Avidin family, BIOTIN
著者Livnah, O, Avraham, O.
登録日2015-03-29
公開日2015-07-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Hoefavidin: A dimeric bacterial avidin with a C-terminal binding tail.
J.Struct.Biol., 191, 2015
6MCZ
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BU of 6mcz by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Arachidonic Acid
分子名称: ARACHIDONIC ACID, Peroxisome proliferator-activated receptor gamma
著者Shang, J, Kojetin, D.J.
登録日2018-09-03
公開日2019-01-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPAR gamma.
Elife, 7, 2018
2HRK
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BU of 2hrk by Molmil
Structural basis of yeast aminoacyl-tRNA synthetase complex formation revealed by crystal structures of two binary sub-complexes
分子名称: CHLORIDE ION, GU4 nucleic-binding protein 1, Glutamyl-tRNA synthetase, ...
著者Simader, H, Suck, D.
登録日2006-07-20
公開日2006-09-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural basis of yeast aminoacyl-tRNA synthetase complex formation revealed by crystal structures of two binary sub-complexes.
Nucleic Acids Res., 34, 2006
6NWW
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BU of 6nww by Molmil
Crystal structure of the RRM domain of S. pombe Puf1 in the P212121 space group
分子名称: CHLORIDE ION, Pumilio domain-containing protein C56F2.08c
著者Qiu, C, Hall, T.M.T.
登録日2019-02-07
公開日2019-07-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Distinct RNA-binding modules in a single PUF protein cooperate to determine RNA specificity.
Nucleic Acids Res., 47, 2019
6ND0
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BU of 6nd0 by Molmil
human BK channel reconstituted into liposomes
分子名称: Calcium-activated potassium channel subunit alpha-1
著者Wang, L, Tonggu, L.
登録日2018-12-13
公開日2020-06-17
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Broken symmetry in the human BK channel
To Be Published
6ML5
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BU of 6ml5 by Molmil
ZBTB24 Zinc Fingers 4-8 with 19+1mer DNA Oligonucleotide (Sequence 4)
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*AP*CP*GP*CP*AP*GP*GP*TP*CP*CP*TP*GP*GP*AP*CP*GP*AP*AP*TP*T)-3'), DNA (5'-D(*TP*AP*AP*TP*TP*CP*GP*TP*CP*CP*AP*GP*GP*AP*CP*CP*TP*GP*CP*G)-3'), ...
著者Horton, J.R, Cheng, X, Ren, R.
登録日2018-09-26
公開日2019-07-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural basis of specific DNA binding by the transcription factor ZBTB24.
Nucleic Acids Res., 47, 2019
2I5B
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BU of 2i5b by Molmil
The crystal structure of an ADP complex of Bacillus subtilis pyridoxal kinase provides evidence for the parralel emergence of enzyme activity during evolution
分子名称: ADENOSINE-5'-DIPHOSPHATE, Phosphomethylpyrimidine kinase
著者Newman, J.A, Das, S.K, Sedelnikova, S.E, Rice, D.W.
登録日2006-08-24
公開日2006-09-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The Crystal Structure of an ADP Complex of Bacillus subtilis Pyridoxal Kinase Provides Evidence for the Parallel Emergence of Enzyme Activity During Evolution.
J.Mol.Biol., 363, 2006
6MMZ
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Crystal structure of meta-AAC0038, an environmental aminoglycoside resistance enzyme, H29A mutant apoenzyme
分子名称: Aminoglycoside N(3)-acetyltransferase, CHLORIDE ION, SULFATE ION
著者Stogios, P.J, Skarina, T, Xu, Z, Yim, V, Savchenko, A, Joachimiak, A, Satchell, K.J, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2018-10-01
公開日2018-10-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structural and molecular rationale for the diversification of resistance mediated by the Antibiotic_NAT family.
Commun Biol, 5, 2022

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