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4XJ0
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Crystal structure of ERK2 in complex with an inhibitor 14K
分子名称: 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(tetrahydro-2H-pyran-4-ylamino)pyrimidin-4-yl]pyridin-2(1H)-one, Mitogen-activated protein kinase 1
著者Yin, J, Wang, W.
登録日2015-01-08
公開日2015-09-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Discovery of highly potent, selective, and efficacious small molecule inhibitors of ERK1/2.
J.Med.Chem., 58, 2015
4E4X
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BU of 4e4x by Molmil
Crystal Structure of B-Raf Kinase Domain in Complex with a Dihydropyrido[2,3-d]pyrimidinone-based Inhibitor
分子名称: N-(2,4-difluoro-3-{2-[(3-hydroxypropyl)amino]-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl}phenyl)propane-1-sulfonamide, Serine/threonine-protein kinase B-raf
著者Voegtli, W.C, Sturgis, H.L.
登録日2012-03-13
公開日2012-05-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献The discovery of potent and selective pyridopyrimidin-7-one based inhibitors of B-Raf(V600E) kinase.
Bioorg.Med.Chem.Lett., 22, 2012
3SKC
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BU of 3skc by Molmil
Human B-Raf Kinase in Complex with an Amide Linked Pyrazolopyridine Inhibitor
分子名称: 2,6-difluoro-N-[(5S)-3-methoxy-5H-pyrazolo[3,4-b]pyridin-5-yl]-3-[(phenylsulfonyl)amino]benzamide, Serine/threonine-protein kinase B-raf
著者Voegtli, W.C, Sturgis, H.L.
登録日2011-06-22
公開日2011-08-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Pyrazolopyridine inhibitors of B-RafV600E. Part 2: structure-activity relationships.
Bioorg.Med.Chem.Lett., 21, 2011
3CP1
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BU of 3cp1 by Molmil
Structure of a longer thermalstable core domain of HIV-1 gp41 containing the enfuvirtide resistance mutation N43D
分子名称: Transmembrane Protein
著者Wang, Z.M, Dwyer, J.J.
登録日2008-03-30
公開日2008-06-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Impact of the enfuvirtide resistance mutation N43D and the associated baseline polymorphism E137K on peptide sensitivity and six-helix bundle structure.
Biochemistry, 47, 2008
4EHG
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BU of 4ehg by Molmil
B-Raf Kinase Domain in Complex with an Aminopyridimine-based Inhibitor
分子名称: N-{2,4-difluoro-3-[({6-[(2-hydroxyethyl)amino]pyrimidin-4-yl}carbamoyl)amino]phenyl}propane-1-sulfonamide, Serine/threonine-protein kinase B-raf
著者Voegtli, W.C.
登録日2012-04-02
公開日2013-04-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Potent and selective aminopyrimidine-based B-raf inhibitors with favorable physicochemical and pharmacokinetic properties.
J.Med.Chem., 55, 2012
4EHE
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BU of 4ehe by Molmil
B-Raf Kinase Domain in Complex with an Aminothienopyrimidine-based Inhibitor
分子名称: 4-amino-N-{2,6-difluoro-3-[(propylsulfonyl)amino]phenyl}thieno[3,2-d]pyrimidine-7-carboxamide, Serine/threonine-protein kinase B-raf
著者Voegtli, W.C.
登録日2012-04-02
公開日2013-04-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Potent and selective aminopyrimidine-based B-raf inhibitors with favorable physicochemical and pharmacokinetic properties.
J.Med.Chem., 55, 2012
5E1J
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BU of 5e1j by Molmil
Structure of voltage-gated two-pore channel TPC1 from Arabidopsis thaliana
分子名称: BARIUM ION, CALCIUM ION, Two pore calcium channel protein 1
著者Guo, J, Zeng, W, Chen, Q, Lee, C, Chen, L, Yang, Y, Jiang, Y.
登録日2015-09-29
公開日2015-12-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.308 Å)
主引用文献Structure of the voltage-gated two-pore channel TPC1 from Arabidopsis thaliana.
Nature, 531, 2016
4G9R
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BU of 4g9r by Molmil
B-Raf V600E Kinase Domain Bound to a Type II Dihydroquinazoline Inhibitor
分子名称: 3-(2-cyanopropan-2-yl)-N-{4-methyl-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}benzamide, Serine/threonine-protein kinase B-raf
著者Voegtli, W.C, Sturgis, H.L.
登録日2012-07-24
公開日2012-11-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Pyrazolopyridine inhibitors of B-Raf(V600E). Part 4: Rational design and kinase selectivity profile of cell potent type II inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
1W22
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BU of 1w22 by Molmil
Crystal structure of inhibited human HDAC8
分子名称: HISTONE DEACETYLASE 8, N-HYDROXY-4-(METHYL{[5-(2-PYRIDINYL)-2-THIENYL]SULFONYL}AMINO)BENZAMIDE, POTASSIUM ION, ...
著者Vannini, A, Volpari, C, Caroli Casavola, E, Di Marco, S.
登録日2004-06-25
公開日2004-09-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of a Eukaryotic Zn-Dependent Histone Deacetylase,Human Hdac8,Complexed with a Hydroxamic Acid Inhibitor
Proc.Natl.Acad.Sci.USA, 101, 2004
7N65
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BU of 7n65 by Molmil
Complex structure of HIV superinfection Fab QA013.2 and BG505.SOSIP.664
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, Envelope glycoprotein gp41, ...
著者Mangala Prasad, V, Shipley, M.M, Overbaugh, J.M, Lee, K.K.
登録日2021-06-07
公開日2021-07-28
実験手法ELECTRON MICROSCOPY (4.15 Å)
主引用文献Functional development of a V3/glycan-specific broadly neutralizing antibody isolated from a case of HIV superinfection.
Elife, 10, 2021
4GBI
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BU of 4gbi by Molmil
Crystal structure of aspart insulin at pH 6.5
分子名称: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
著者Lima, L.M.T.R, Favero-Retto, M.P, Palmieri, L.C.
登録日2012-07-27
公開日2013-06-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.502 Å)
主引用文献A T3R3 hexamer of the human insulin variant B28Asp.
Biophys.Chem., 173, 2013
4GBL
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BU of 4gbl by Molmil
Crystal structure of aspart insulin at pH 8.5
分子名称: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
著者Lima, L.M.T.R, Favero-Retto, M.P, Palmieri, L.C.
登録日2012-07-27
公開日2013-06-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A T3R3 hexamer of the human insulin variant B28Asp.
Biophys.Chem., 173, 2013
5VRE
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BU of 5vre by Molmil
Crystal structure of a lysosomal potassium-selective channel TMEM175 homolog from Chamaesiphon Minutus
分子名称: Putative integral membrane protein
著者Lee, C, Guo, J, Jiang, Y.
登録日2017-05-10
公開日2017-07-19
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.299 Å)
主引用文献The lysosomal potassium channel TMEM175 adopts a novel tetrameric architecture.
Nature, 547, 2017
8BQU
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BU of 8bqu by Molmil
Molecular basis of ZP3/ZP1 heteropolymerization: crystal structure of a native vertebrate egg coat filament
分子名称: Choriogenin H, Zona pellucida sperm-binding protein 3, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Bokhove, M, de Sanctis, D, Yasumasu, S, Jovine, L.
登録日2022-11-21
公開日2024-03-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献ZP2 cleavage blocks polyspermy by modulating the architecture of the egg coat.
Cell, 187, 2024
5YKL
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BU of 5ykl by Molmil
Antimicrobial peptide AY1C designed from the skin secretion of Chinese Odorous frogs
分子名称: designed AY1C
著者Pal, I, Atreya, H.S, Bhunia, A.
登録日2017-10-15
公開日2017-10-25
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献A Peptide-Nanoparticle System with Improved Efficacy against Multidrug Resistant Bacteria.
Sci Rep, 9, 2019
5YKQ
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BU of 5ykq by Molmil
Designed peptide CAY1 from Odorrana andersonii skin secretion
分子名称: designed CAY1
著者Pal, I, Atreya, H.S, Bhunia, A.
登録日2017-10-15
公開日2017-11-01
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献A Peptide-Nanoparticle System with Improved Efficacy against Multidrug Resistant Bacteria.
Sci Rep, 9, 2019
5YKK
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BU of 5ykk by Molmil
Antimicrobial peptide Andersonin-Y1 (AY1)
分子名称: Andersonin-Y1 (AY1)
著者Pal, I, Atreya, H.S, Bhunia, A.
登録日2017-10-15
公開日2017-11-01
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献A Peptide-Nanoparticle System with Improved Efficacy against Multidrug Resistant Bacteria.
Sci Rep, 9, 2019
8BT1
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BU of 8bt1 by Molmil
YdaT transcription regulator (CII functional analog)
分子名称: CHLORIDE ION, GLYCEROL, SULFATE ION, ...
著者Prolic-Kalinsek, M, Loris, R.
登録日2022-11-27
公開日2023-02-22
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.39788437 Å)
主引用文献Structural basis of DNA binding by YdaT, a functional equivalent of the CII repressor in the cryptic prophage CP-933P from Escherichia coli O157:H7.
Acta Crystallogr D Struct Biol, 79, 2023
8C7K
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BU of 8c7k by Molmil
YdaS from E. coli O157:H7 cryptic prophage CP-933P
分子名称: Phage antirepressor protein Cro
著者Prolic-Kalinsek, M, Volkov, A.N, Loris, R.
登録日2023-01-16
公開日2023-01-25
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Structural basis of DNA binding by YdaT, a functional equivalent of the CII repressor in the cryptic prophage CP-933P from Escherichia coli O157:H7.
Acta Crystallogr D Struct Biol, 79, 2023
5LJF
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BU of 5ljf by Molmil
Crystal structure of the endo-1,4-glucanase RBcel1 E135A with cellotriose
分子名称: Endoglucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
著者Dutoit, R, Collet, L, Galleni, M, Bauvois, C.
登録日2016-07-18
公開日2017-08-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.734396 Å)
主引用文献Glycoside hydrolase family 5: structural snapshots highlighting the involvement of two conserved residues in catalysis.
Acta Crystallogr D Struct Biol, 77, 2021
8RKI
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BU of 8rki by Molmil
Molecular basis of ZP3/ZP1 heteropolymerization: crystal structure of a native vertebrate egg coat filament fragment
分子名称: Choriogenin H, YTTERBIUM (III) ION, Zona pellucida sperm-binding protein 3, ...
著者Wiseman, B, Zamora-Caballero, S, de Sanctis, D, Yasumasu, S, Jovine, L.
登録日2023-12-25
公開日2024-03-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (4.2 Å)
主引用文献ZP2 cleavage blocks polyspermy by modulating the architecture of the egg coat.
Cell, 187, 2024
8RKF
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BU of 8rkf by Molmil
Crystal structure of the ZP-N1 and ZP-N2 domains of human ZP2 (hZP2-N1N2)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Zona pellucida sperm-binding protein 2
著者Dioguardi, E, Stsiapanava, A, de Sanctis, D, Jovine, L.
登録日2023-12-25
公開日2024-03-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献ZP2 cleavage blocks polyspermy by modulating the architecture of the egg coat.
Cell, 187, 2024
5WA1
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BU of 5wa1 by Molmil
CHMP4C A232T in complex with ALIX BRO1
分子名称: Charged multivesicular body protein 4c, Programmed cell death 6-interacting protein
著者Wenzel, D.M, Alam, S.L, Sundquist, W.I.
登録日2017-06-24
公開日2018-09-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.868 Å)
主引用文献A cancer-associated polymorphism in ESCRT-III disrupts the abscission checkpoint and promotes genome instability.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6WG7
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BU of 6wg7 by Molmil
Coordinates of NanR dimer fitted in Hexameric NanR-DNA hetero-complex cryo-EM map
分子名称: DNA (35-MER), HTH-type transcriptional repressor NanR
著者Hariprasad, V, Horne, C, Santosh, P, Amy, H, Emre, B, Rachel, N, Michael, G, Georg, R, Borries, D, Renwick, D.
登録日2020-04-05
公開日2021-03-10
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (8.3 Å)
主引用文献Mechanism of NanR gene repression and allosteric induction of bacterial sialic acid metabolism.
Nat Commun, 12, 2021
6WFQ
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BU of 6wfq by Molmil
NanR dimer-DNA hetero-complex
分子名称: DNA (5'-D(P*GP*GP*TP*AP*TP*AP*AP*CP*AP*GP*GP*TP*AP*TP*A)-3'), DNA (5'-D(P*TP*AP*TP*AP*CP*CP*TP*GP*TP*TP*AP*TP*AP*CP*C)-3'), HTH-type transcriptional repressor NanR
著者Hariprasad, V, Horne, C, Santosh, P, Amy, H, Emre, B, Rachel, N, Michael, G, Georg, R, Borries, D, Renwick, D.
登録日2020-04-03
公開日2021-03-10
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Mechanism of NanR gene repression and allosteric induction of bacterial sialic acid metabolism.
Nat Commun, 12, 2021

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