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4WBA
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BU of 4wba by Molmil
Q/E mutant SA11 NSP4_CCD
分子名称: GLYCEROL, Non-structural glycoprotein NSP4, PHOSPHATE ION
著者Viskovska, M, Sastri, N.P, Hyser, J.M, Tanner, M.R, Horton, L.B, Sankaran, B, Prasad, B.V.V, Estes, M.K.
登録日2014-09-02
公開日2014-09-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.799 Å)
主引用文献Structural Plasticity of the Coiled-Coil Domain of Rotavirus NSP4.
J.Virol., 88, 2014
8E1S
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BU of 8e1s by Molmil
Asp1 kinase in complex with ADPNP Mn IP6
分子名称: INOSITOL HEXAKISPHOSPHATE, Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase, MANGANESE (II) ION, ...
著者Goldgur, Y, Shuman, S, Benjamin, B.
登録日2022-08-11
公開日2022-11-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Structures of Fission Yeast Inositol Pyrophosphate Kinase Asp1 in Ligand-Free, Substrate-Bound, and Product-Bound States.
Mbio, 13, 2022
8E1T
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BU of 8e1t by Molmil
Asp1 kinase in complex with ADPNP Mg IP7
分子名称: (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase, MAGNESIUM ION, ...
著者Goldgur, Y, Shuman, S, Benjamin, B.
登録日2022-08-11
公開日2022-11-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Structures of Fission Yeast Inositol Pyrophosphate Kinase Asp1 in Ligand-Free, Substrate-Bound, and Product-Bound States.
Mbio, 13, 2022
1Q56
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BU of 1q56 by Molmil
NMR structure of the B0 isoform of the agrin G3 domain in its Ca2+ bound state
分子名称: Agrin
著者Stetefeld, J, Alexandrescu, A.T, Maciejewski, M.W, Jenny, M, Rathgeb-Szabo, K, Schulthess, T, Landwehr, R, Frank, S, Ruegg, M.A, Kammerer, R.A.
登録日2003-08-06
公開日2004-04-13
最終更新日2024-11-20
実験手法SOLUTION NMR
主引用文献Modulation of agrin function by alternative splicing and Ca2+ binding
Structure, 12, 2004
3BZ3
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BU of 3bz3 by Molmil
Crystal Structure Analysis of Focal Adhesion Kinase with a Methanesulfonamide Diaminopyrimidine Inhibitor
分子名称: Focal adhesion kinase 1, N-methyl-N-{3-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]pyridin-2-yl}methanesulfonamide
著者Vajdos, F, Marr, E.
登録日2008-01-17
公開日2008-04-01
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Antitumor activity and pharmacology of a selective focal adhesion kinase inhibitor, PF-562,271.
Cancer Res., 68, 2008
5DSK
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BU of 5dsk by Molmil
Structure of CO2 released holo-form of human carbonic anhydrase II with 3 min warming
分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION
著者Kim, C.U, Park, S.Y, McKenna, R.
登録日2015-09-17
公開日2016-05-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5DSQ
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BU of 5dsq by Molmil
Structure of CO2 released apo-form of human carbonic anhydrase II with 3 min warming
分子名称: Carbonic anhydrase 2, GLYCEROL
著者Kim, C.U, Park, S.Y, McKenna, R.
登録日2015-09-17
公開日2016-05-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
8E1J
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BU of 8e1j by Molmil
Asp1 kinase in complex with 1,5-IP8
分子名称: (1R,3S,4R,5S,6R)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)], Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase
著者Goldgur, Y, Shuman, S, Benjamin, B.
登録日2022-08-10
公開日2022-11-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structures of Fission Yeast Inositol Pyrophosphate Kinase Asp1 in Ligand-Free, Substrate-Bound, and Product-Bound States.
Mbio, 13, 2022
8E1V
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BU of 8e1v by Molmil
Asp1 kinase in complex with ADPNP Mg IP6
分子名称: INOSITOL HEXAKISPHOSPHATE, Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase, MAGNESIUM ION, ...
著者Goldgur, Y, Shuman, S, Benjamin, B.
登録日2022-08-11
公開日2022-11-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structures of Fission Yeast Inositol Pyrophosphate Kinase Asp1 in Ligand-Free, Substrate-Bound, and Product-Bound States.
Mbio, 13, 2022
6PMI
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BU of 6pmi by Molmil
Sigm28-transcription initiation complex with specific promoter at the state 1
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Liu, B, Shi, W.
登録日2019-07-02
公開日2020-05-13
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.86 Å)
主引用文献Structural basis of bacterial sigma28-mediated transcription reveals roles of the RNA polymerase zinc-binding domain.
Embo J., 39, 2020
4WCG
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BU of 4wcg by Molmil
The binding mode of Cyprinid Herpesvirus3 ORF112-Zalpha to Z-DNA
分子名称: DNA (5'-D(P*CP*GP*CP*GP*CP*G)-3'), ORF112, SULFATE ION
著者Kus, K, Athanasiadis, A.
登録日2014-09-04
公開日2015-11-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The Structure of the Cyprinid herpesvirus 3 ORF112-Z alpha Z-DNA Complex Reveals a Mechanism of Nucleic Acids Recognition Conserved with E3L, a Poxvirus Inhibitor of Interferon Response.
J.Biol.Chem., 290, 2015
5DSM
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BU of 5dsm by Molmil
Structure of CO2 released holo-form of human carbonic anhydrase II with 25 min warming
分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION
著者Kim, C.U, Park, S.Y, McKenna, R.
登録日2015-09-17
公開日2016-05-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5DSR
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BU of 5dsr by Molmil
Structure of CO2 released apo-form of human carbonic anhydrase II with 10 min warming
分子名称: Carbonic anhydrase 2, GLYCEROL
著者Kim, C.U, Park, S.Y, McKenna, R.
登録日2015-09-17
公開日2016-05-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5DOG
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BU of 5dog by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 2-(Benzylamino)-3,5,6-trifluoro-4-[(2-phenylethyl)thio]benzene- sulfonamide
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-(benzylamino)-3,5,6-trifluoro-4-[(2-phenylethyl)sulfanyl]benzenesulfonamide, BICINE, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2015-09-11
公開日2016-09-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Intrinsic Thermodynamics and Structures of 2,4- and 3,4-Substituted Fluorinated Benzenesulfonamides Binding to Carbonic Anhydrases.
ChemMedChem, 12, 2017
4WB4
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BU of 4wb4 by Molmil
wt SA11 NSP4_CCD
分子名称: CALCIUM ION, Non-structural glycoprotein NSP4
著者Viskovska, M, Sastri, N.P, Hyser, J.M, Tanner, M.R, Horton, L.B, Sankaran, B, Prasad, B.V.V, Estes, M.K.
登録日2014-09-02
公開日2014-09-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Structural Plasticity of the Coiled-Coil Domain of Rotavirus NSP4.
J.Virol., 88, 2014
4WBH
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BU of 4wbh by Molmil
STRUCTURE OF THE WNT DEACYLASE NOTUM - CRYSTAL FORM I APO - 2.2A
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Protein notum homolog, ...
著者Zebisch, M, Jones, E.Y.
登録日2014-09-03
公開日2015-02-25
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Notum deacylates Wnt proteins to suppress signalling activity
Nature, 519, 2015
4ZK9
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BU of 4zk9 by Molmil
The chemokine binding protein of orf virus complexed with CCL2
分子名称: C-C motif chemokine 2, Chemokine binding protein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Knapp, K.M, Nakatani, Y, Krause, K.L.
登録日2015-04-30
公開日2015-07-08
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structures of Orf Virus Chemokine Binding Protein in Complex with Host Chemokines Reveal Clues to Broad Binding Specificity.
Structure, 23, 2015
3BL0
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BU of 3bl0 by Molmil
Carbonic anhydrase inhibitors. Interaction of 2-N,N-Dimethylamino-1,3,4-thiadiazole-5-methanesulfonamide with twelve mammalian isoforms: kinetic and X-Ray crystallographic studies
分子名称: 1-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]methanesulfonamide, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ...
著者Temperini, C, Supuran, C.T, Blackburn, G.M.
登録日2007-12-10
公開日2008-01-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Carbonic anhydrase inhibitors. Interaction of 2-N,N-dimethylamino-1,3,4-thiadiazole-5-methanesulfonamide with 12 mammalian isoforms: kinetic and X-ray crystallographic studies.
Bioorg.Med.Chem.Lett., 18, 2008
6POM
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BU of 6pom by Molmil
Cryo-EM structure of the full-length Bacillus subtilis glyQS T-box riboswitch in complex with tRNA-Gly
分子名称: T-box GlyQS leader (155-MER), tRNAGly (75-MER)
著者Li, S, Su, Z, Zhang, J, Chiu, W.
登録日2019-07-04
公開日2019-11-20
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4.9 Å)
主引用文献Structural basis of amino acid surveillance by higher-order tRNA-mRNA interactions.
Nat.Struct.Mol.Biol., 26, 2019
5DVA
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BU of 5dva by Molmil
Fragments bound to the OXA-48 beta-lactamase: Compound 1
分子名称: 3-(pyridin-4-yl)benzoic acid, Beta-lactamase, CHLORIDE ION
著者Lund, B.A, Christopeit, T, Leiros, H.-K.S.
登録日2015-09-21
公開日2016-06-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.50003886 Å)
主引用文献Screening and Design of Inhibitor Scaffolds for the Antibiotic Resistance Oxacillinase-48 (OXA-48) through Surface Plasmon Resonance Screening.
J.Med.Chem., 59, 2016
5DYU
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BU of 5dyu by Molmil
Crystal Structure of BAZ2B bromodomain in complex with fragment F39
分子名称: 1H-imidazol-5-ylmethanol, Bromodomain adjacent to zinc finger domain protein 2B
著者Lolli, G, Caflisch, A.
登録日2015-09-25
公開日2016-03-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献High-Throughput Fragment Docking into the BAZ2B Bromodomain: Efficient in Silico Screening for X-Ray Crystallography.
Acs Chem.Biol., 11, 2016
5DXA
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BU of 5dxa by Molmil
Crystal structure of CARM1, sinefungin, and methylated PABP1 peptide (R460)
分子名称: GLYCEROL, Histone-arginine methyltransferase CARM1, SINEFUNGIN, ...
著者Boriack-Sjodin, P.A.
登録日2015-09-23
公開日2015-11-25
最終更新日2025-04-02
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structural Insights into Ternary Complex Formation of Human CARM1 with Various Substrates.
Acs Chem.Biol., 11, 2016
4V15
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BU of 4v15 by Molmil
Crystal structure of D-threonine aldolase from Alcaligenes xylosoxidans
分子名称: D-THREONINE ALDOLASE, MANGANESE (II) ION, PYRIDOXAL-5'-PHOSPHATE, ...
著者Uhl, M.K, Oberdorfer, G, Steinkellner, G, Riegler, L, Schuermann, M, Gruber, K.
登録日2014-09-24
公開日2015-03-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The Crystal Structure of D-Threonine Aldolase from Alcaligenes Xylosoxidans Provides Insight Into a Metal Ion Assisted Plp-Dependent Mechanism.
Plos One, 10, 2015
3BQD
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BU of 3bqd by Molmil
Doubling the Size of the Glucocorticoid Receptor Ligand Binding Pocket by Deacylcortivazol
分子名称: 1-[(1R,2R,3aS,3bS,10aR,10bS,11S,12aS)-1,11-dihydroxy-2,5,10a,12a-tetramethyl-7-phenyl-1,2,3,3a,3b,7,10,10a,10b,11,12,12a-dodecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-yl]-2-hydroxyethanone, Glucocorticoid receptor, Nuclear receptor coactivator 1
著者Xu, H.E.
登録日2007-12-20
公開日2008-01-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Doubling the size of the glucocorticoid receptor ligand binding pocket by deacylcortivazol.
Mol.Cell.Biol., 28, 2008
5E4D
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BU of 5e4d by Molmil
Hydroxynitrile lyase from the fern Davallia tyermanii in complex with benzoic acid
分子名称: BENZOIC ACID, Hydroxynitrile lyase
著者Pavkov-Keller, T, Diepold, M, Gruber, K.
登録日2015-10-05
公開日2016-10-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Enzyme discovery beyond homology: a unique hydroxynitrile lyase in the Bet v1 superfamily.
Sci Rep, 7, 2017

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