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5B76
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Crystal structure of MOZ double PHD finger domain in complex with histone H3 crotonylation at K14
分子名称: Histone H3, Histone acetyltransferase KAT6A, SULFATE ION, ...
著者Li, H, Xiong, X.
登録日2016-06-05
公開日2016-10-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.653 Å)
主引用文献Selective recognition of histone crotonylation by double PHD fingers of MOZ and DPF2
Nat.Chem.Biol., 12, 2016
5BKD
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BU of 5bkd by Molmil
Crystal structure of AAD-1 in complex with (R)-cyhalofop, Mn(II), and 2-oxoglutarate
分子名称: (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoic acid, (R)-phenoxypropionate/alpha-ketoglutarate-dioxygenase, 2-OXOGLUTARIC ACID, ...
著者Chekan, J.R, Nair, S.K.
登録日2019-06-02
公開日2019-06-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular basis for enantioselective herbicide degradation imparted by aryloxyalkanoate dioxygenases in transgenic plants.
Proc.Natl.Acad.Sci.USA, 116, 2019
5FLF
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BU of 5flf by Molmil
DISEASE LINKED MUTATION IN FGFR
分子名称: ACETATE ION, CHLORIDE ION, FIBROBLAST GROWTH FACTOR RECEPTOR 1, ...
著者Thiyagarajan, N, Bunney, T.D, Katan, M.
登録日2015-10-26
公開日2016-03-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Landscape of Activating Cancer Mutations in Fgfr Kinases and Their Differential Responses to Inhibitors in Clinical Use.
Oncotarget, 7, 2016
5FU2
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BU of 5fu2 by Molmil
The complexity of the Ruminococcus flavefaciens cellulosome reflects an expansion in glycan recognition
分子名称: CALCIUM ION, CBM74-RFGH5, SODIUM ION, ...
著者Basle, A, Luis, A.S, Venditto, I, Gilbert, H.J.
登録日2016-01-20
公開日2016-06-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Complexity of the Ruminococcus Flavefaciens Cellulosome Reflects an Expansion in Glycan Recognition.
Proc.Natl.Acad.Sci.USA, 113, 2016
4ARY
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BU of 4ary by Molmil
Lepidopteran-specific toxin Cry1Ac in complex with receptor specificity determinant GalNAc
分子名称: 1,3-DIAMINOPROPANE, 2-acetamido-2-deoxy-beta-D-galactopyranose, PESTICIDAL CRYSTAL PROTEIN CRY1AC
著者Derbyshire, D.J, Carroll, J, Ellar, D.J, Li, J.
登録日2012-04-27
公開日2013-05-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structural Basis of Galnac-Dependent Receptor Recognition by B. Thuringiensis Toxin Cry1Ac
To be Published
5A2I
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BU of 5a2i by Molmil
Crystal structure of scFv-SM3 in complex with APD-SGalNAc-RP
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, ANTIGEN TN, ...
著者Martinez-Saez, N, Castro-Lopez, J, Valero-Gonzalez, J, Madariaga, D, Companon, I, Somovilla, V.J, Salvado, M, Asensio, J.L, Jimenez-Barbero, J, Avenoza, A, Busto, J.H, Bernardes, G.J.L, Peregrina, J.M, Hurtado-Guerrero, R, Corzana, F.
登録日2015-05-20
公開日2015-06-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Deciphering the Non-Equivalence of Serine and Threonine O-Glycosylation Points: Implications for Molecular Recognition of the Tn Antigen by an Anti-Muc1 Antibody.
Angew.Chem.Int.Ed.Engl., 54, 2015
5A2J
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BU of 5a2j by Molmil
Crystal structure of scFv-SM3 in complex with the naked peptide APDTRP
分子名称: 1,2-ETHANEDIOL, SCFV-SM3, THE NAKED PEPTIDE APDTRP
著者Martinez-Saez, N, Castro-Lopez, J, Valero-Gonzalez, J, Madariaga, D, Companon, I, Somovilla, V.J, Salvado, M, Asensio, J.L, Jimenez-Barbero, J, Avenoza, A, Busto, J.H, Bernardes, G.J.L, Peregrina, J.M, Hurtado-Guerrero, R, Corzana, F.
登録日2015-05-20
公開日2015-06-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Deciphering the Non-Equivalence of Serine and Threonine O-Glycosylation Points: Implications for Molecular Recognition of the Tn Antigen by an Anti-Muc1 Antibody.
Angew.Chem.Int.Ed.Engl., 54, 2015
5FU5
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BU of 5fu5 by Molmil
The complexity of the Ruminococcus flavefaciens cellulosome reflects an expansion in glycan recognition
分子名称: CBM77-RFPL
著者Basle, A, Luis, A.S, Venditto, I, Gilbert, H.J.
登録日2016-01-20
公開日2016-06-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Complexity of the Ruminococcus Flavefaciens Cellulosome Reflects an Expansion in Glycan Recognition.
Proc.Natl.Acad.Sci.USA, 113, 2016
7W41
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BU of 7w41 by Molmil
Crystal Structure of Human Gastrin Releasing Peptide Receptor in complex with the antagonist PD176252
分子名称: (2S)-3-(1H-indol-3-yl)-N-[[1-(5-methoxypyridin-2-yl)cyclohexyl]methyl]-2-methyl-2-[(4-nitrophenyl)carbamoylamino]propanamide, Gastrin-releasing peptide receptor,GlgA glycogen synthase
著者Peng, S, Zhan, Y, Zhang, H.
登録日2021-11-26
公開日2023-02-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.952 Å)
主引用文献Structures of human gastrin-releasing peptide receptors bound to antagonist and agonist for cancer and itch therapy.
Proc.Natl.Acad.Sci.USA, 120, 2023
5APN
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BU of 5apn by Molmil
Structure of the yeast 60S ribosomal subunit in complex with Arx1, Alb1 and N-terminally tagged Rei1
分子名称: 25S rRNA, 5.8S rRNA, 5S rRNA, ...
著者Greber, B.J, Gerhardy, S, Leitner, A, Leibundgut, M, Salem, M, Boehringer, D, Leulliot, N, Aebersold, R, Panse, V.G, Ban, V.
登録日2015-09-17
公開日2015-12-16
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.91 Å)
主引用文献Insertion of the Biogenesis Factor Rei1 Probes the Ribosomal Tunnel during 60S Maturation.
Cell, 164, 2015
5AYM
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BU of 5aym by Molmil
Crystal structure of a bacterial homologue of iron transporter ferroportin in outward-facing state with soaked iron
分子名称: FE (II) ION, Solute carrier family 39 (Iron-regulated transporter)
著者Taniguchi, R, Kato, H.E, Font, J, Deshpande, C.N, Ishitani, R, Jormakka, M, Nureki, O.
登録日2015-08-25
公開日2015-11-04
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Outward- and inward-facing structures of a putative bacterial transition-metal transporter with homology to ferroportin
Nat Commun, 6, 2015
5AYO
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BU of 5ayo by Molmil
Crystal structure of a bacterial homologue of iron transporter ferroportin in inward-facing state
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, POTASSIUM ION, Solute carrier family 39 (Iron-regulated transporter), ...
著者Taniguchi, R, Kato, H.E, Font, J, Deshpande, C.N, Ishitani, R, Jormakka, M, Nureki, O.
登録日2015-08-25
公開日2015-11-04
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Outward- and inward-facing structures of a putative bacterial transition-metal transporter with homology to ferroportin
Nat Commun, 6, 2015
5B78
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BU of 5b78 by Molmil
Crystal structure of MOZ double PHD finger mutant-S210D/N235R in complex with histone H3 crotonylation at K14
分子名称: Histone H3, Histone acetyltransferase KAT6A, ZINC ION
著者Li, H, Xiong, X.
登録日2016-06-05
公開日2016-10-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Selective recognition of histone crotonylation by double PHD fingers of MOZ and DPF2
Nat.Chem.Biol., 12, 2016
5FU4
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BU of 5fu4 by Molmil
The complexity of the Ruminococcus flavefaciens cellulosome reflects an expansion in glycan recognition
分子名称: CBM74-RFGH5, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose
著者Basle, A, Luis, A.S, Venditto, I, Gilbert, H.J.
登録日2016-01-20
公開日2016-06-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Complexity of the Ruminococcus flavefaciens cellulosome reflects an expansion in glycan recognition.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5B75
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BU of 5b75 by Molmil
Crystal structure of MOZ double PHD finger in complex with histone H3 butyrylation at K14
分子名称: Histone H3, Histone acetyltransferase KAT6A, SULFATE ION, ...
著者Li, H, Xiong, X.
登録日2016-06-05
公開日2016-10-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.704 Å)
主引用文献Selective recognition of histone crotonylation by double PHD fingers of MOZ and DPF2
Nat.Chem.Biol., 12, 2016
5E5T
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BU of 5e5t by Molmil
Quasi-racemic snakin-1 in P1 after radiation damage
分子名称: 1,2-ETHANEDIOL, D- snakin-1, FORMIC ACID, ...
著者Yeung, H, Squire, C.J, Yosaatmadja, Y, Panjikar, S, Baker, E.N, Harris, P.W.R, Brimble, M.A.
登録日2015-10-09
公開日2016-05-18
最終更新日2016-07-20
実験手法X-RAY DIFFRACTION (1.572 Å)
主引用文献Radiation Damage and Racemic Protein Crystallography Reveal the Unique Structure of the GASA/Snakin Protein Superfamily.
Angew.Chem.Int.Ed.Engl., 55, 2016
3AMB
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BU of 3amb by Molmil
Protein kinase A sixfold mutant model of Aurora B with inhibitor VX-680
分子名称: CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
著者Pflug, A, de Oliveira, T.M, Bossemeyer, D, Engh, R.A.
登録日2010-08-18
公開日2011-08-03
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Mutants of protein kinase A that mimic the ATP-binding site of Aurora kinase
Biochem.J., 440, 2011
2QI6
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BU of 2qi6 by Molmil
Crystal structure of protease inhibitor, MIT-2-KB98 in complex with wild type HIV-1 protease
分子名称: N-{(1S,2R)-3-[(1,3-BENZOTHIAZOL-6-YLSULFONYL)(ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYL}-3-HYDROXYBENZAMIDE, PHOSPHATE ION, Protease
著者Schiffer, C.A, Nalam, M.N.L.
登録日2007-07-03
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants.
J.Am.Chem.Soc., 130, 2008
2QI7
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BU of 2qi7 by Molmil
Crystal structure of protease inhibitor, MIT-2-AD86 in complex with wild type HIV-1 protease
分子名称: ACETATE ION, N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[(4-METHOXYPHENYL)SULFONYL][(2S)-2-METHYLBUTYL]AMINO}PROPYL]-4-OXOHEXANAMIDE, PHOSPHATE ION, ...
著者Schiffer, C.A, Nalam, M.N.L.
登録日2007-07-03
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants.
J.Am.Chem.Soc., 130, 2008
2OOL
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BU of 2ool by Molmil
Crystal structure of the chromophore-binding domain of an unusual bacteriophytochrome RpBphP3 from R. palustris
分子名称: 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, Sensor protein
著者Yang, X, Stojkovic, E.A, Kuk, J, Moffat, K.
登録日2007-01-25
公開日2007-07-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of the chromophore binding domain of an unusual bacteriophytochrome, RpBphP3, reveals residues that modulate photoconversion.
Proc.Natl.Acad.Sci.Usa, 104, 2007
4BPH
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BU of 4bph by Molmil
High resolution crystal structure of Bacillus subtilis DltC
分子名称: 4'-PHOSPHOPANTETHEINE, D-ALANINE--POLY(PHOSPHORIBITOL) LIGASE SUBUNIT 2, MAGNESIUM ION
著者Zimmermann, S, Neumann, P, Stubbs, M.T.
登録日2013-05-26
公開日2014-06-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献High-Resolution Structures of the D-Alanyl Carrier Protein (Dcp) Dltc from Bacillus Subtilis Reveal Equivalent Conformations of Apo- and Holo-Forms
FEBS Lett., 589, 2015
2QI4
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BU of 2qi4 by Molmil
Crystal structure of protease inhibitor, MIT-2-AD93 in complex with wild type HIV-1 protease
分子名称: ACETATE ION, N-[(1S,2R)-3-{(1,3-BENZOTHIAZOL-6-YLSULFONYL)[(2S)-2-METHYLBUTYL]AMINO}-1-BENZYL-2-HYDROXYPROPYL]-3-HYDROXYBENZAMIDE, PHOSPHATE ION, ...
著者Nalam, M.N.L, Schiffer, C.A.
登録日2007-07-03
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants.
J.Am.Chem.Soc., 130, 2008
2QI3
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BU of 2qi3 by Molmil
Crystal structure of protease inhibitor, MIT-2-AD94 in complex with wild type HIV-1 protease
分子名称: (2S)-N-[(1S,2R)-3-{(1,3-BENZOTHIAZOL-6-YLSULFONYL)[(2S)-2-METHYLBUTYL]AMINO}-1-BENZYL-2-HYDROXYPROPYL]-2-HYDROXY-3-METHYLBUTANAMIDE, PHOSPHATE ION, Protease
著者Nalam, M.N.L, Schiffer, C.A.
登録日2007-07-03
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants.
J.Am.Chem.Soc., 130, 2008
2QI5
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Crystal structure of protease inhibitor, MIT-2-KC08 in complex with wild type HIV-1 protease
分子名称: N~2~-ACETYL-N-{(1S,2R)-3-[(1,3-BENZOTHIAZOL-6-YLSULFONYL)(PENTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYL}-L-VALINAMIDE, PHOSPHATE ION, Protease
著者Schiffer, C.A, Nalam, M.N.L.
登録日2007-07-03
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants.
J.Am.Chem.Soc., 130, 2008
2QI1
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Crystal structure of protease inhibitor, MIT-1-KK81 in complex with wild type HIV-1 protease
分子名称: N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[(3-METHOXYPHENYL)SULFONYL](2-THIENYLMETHYL)AMINO}PROPYL]-3,4-DIHYDROXYBENZAMIDE, PHOSPHATE ION, Protease
著者Schiffer, C.A, Nalam, M.N.L.
登録日2007-07-03
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants.
J.Am.Chem.Soc., 130, 2008

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