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3MIF
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BU of 3mif by Molmil
Oxidized (Cu2+) peptidylglycine alpha-hydroxylating monooxygenase (PHM) with bound carbon monooxide (CO)
分子名称: CARBON MONOXIDE, COPPER (II) ION, GLYCEROL, ...
著者Siebert, X, Chufan, E, Eipper, B.A, Mains, R.E, Amzel, L.M.
登録日2010-04-10
公開日2010-11-24
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Differential Reactivity Between the Two Copper Sites of Peptidylglycine alpha-Hydroxylating Monooxygenase (PHM)
J.Am.Chem.Soc., 132, 2010
8GJS
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BU of 8gjs by Molmil
Stapled Peptide ALRN-6924 Bound to MDMX
分子名称: ACE-LEU-THR-PHE-ALA-GLU-TYR-TRP-ALA-GLN-LEU-DAL-ALA-ALA-ALA-ALA-ALA-DAL, Protein Mdm4
著者Graves, B.J, Janson, C, Lukacs, C.
登録日2023-03-16
公開日2023-07-26
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Discovery of Sulanemadlin (ALRN-6924), the First Cell-Permeating, Stabilized alpha-Helical Peptide in Clinical Development.
J.Med.Chem., 66, 2023
6SZ5
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BU of 6sz5 by Molmil
Human calmodulin bound to a peptide of human NADPH oxidase 5
分子名称: CALCIUM ION, Calmodulin-2, NADPH oxidase 5
著者Millana, E, Mattevi, A.
登録日2019-10-02
公開日2019-12-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献On the mechanism of calcium-dependent activation of NADPH oxidase 5 (NOX5).
Febs J., 287, 2020
5JR7
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BU of 5jr7 by Molmil
Crystal structure of an ACRDYS heterodimer [RIa(92-365):C] of PKA
分子名称: ADENOSINE-5'-DIPHOSPHATE, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase type I-alpha regulatory subunit
著者Bruystens, J.G.H, Wu, J, Taylor, S.S.
登録日2016-05-05
公開日2017-03-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.56 Å)
主引用文献Structure of a PKA RI alpha Recurrent Acrodysostosis Mutant Explains Defective cAMP-Dependent Activation.
J. Mol. Biol., 428, 2016
5M4N
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BU of 5m4n by Molmil
Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase
分子名称: CHLORIDE ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, [2,4-bis(oxidanyl)phenyl]-[(2~{S})-2-methyl-6-(3-methylquinolin-2-yl)-3,4-dihydro-2~{H}-quinolin-1-yl]methanone, ...
著者Baker, L.M, Brough, P, Surgenor, A.
登録日2016-10-18
公開日2017-02-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase.
J. Med. Chem., 60, 2017
6B8J
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BU of 6b8j by Molmil
Co-structure of human glycogen synthase kinase beta with a selective (5-imidazol-2-yl-4-phenylpyrimidin-2-yl)[2-(2-pyridylamino)ethyl]amine inhibitor
分子名称: CHIR99021, GLYCEROL, Glycogen synthase kinase-3 beta, ...
著者Bussiere, D.E.
登録日2017-10-08
公開日2017-11-08
実験手法X-RAY DIFFRACTION (2.595 Å)
主引用文献Synthesis, Binding Mode, and Antihyperglycemic Activity of Potent and Selective (5-Imidazol-2-yl-4-phenylpyrimidin-2-yl)[2-(2-pyridylamino)ethyl]amine Inhibitors of Glycogen Synthase Kinase 3.
J. Med. Chem., 60, 2017
6DFL
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BU of 6dfl by Molmil
WaaP in complex with acyl carrier protein
分子名称: Acyl carrier protein, Lipopolysaccharide core heptose(I) kinase RfaP, S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexadecanethioate
著者Chopra, R, Vash, B.
登録日2018-05-15
公開日2019-04-03
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (2.396 Å)
主引用文献Acylated-acyl carrier protein stabilizes the Pseudomonas aeruginosa WaaP lipopolysaccharide heptose kinase.
Sci Rep, 8, 2018
1H80
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BU of 1h80 by Molmil
1,3-ALPHA-1,4-BETA-D-GALACTOSE-4-SULFATE- 3,6-ANHYDRO-D-GALACTOSE-2-SULFATE 4 GALACTOHYDROLASE
分子名称: CALCIUM ION, CHLORIDE ION, GLYCEROL, ...
著者Michel, G, Chantalat, L, Dideberg, O.
登録日2001-01-22
公開日2001-11-27
最終更新日2018-10-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The Iota-Carrageenase of Alteromonas Fortis. A Beta-Helix Fold-Containing Enzyme for the Degradation of a Highly Polyanionic Polysaccharide
J.Biol.Chem., 276, 2001
6RAG
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BU of 6rag by Molmil
Heterodimeric ABC exporter TmrAB in inward-facing wide conformation under turnover conditions
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R.
登録日2019-04-06
公開日2019-07-31
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Conformation space of a heterodimeric ABC exporter under turnover conditions.
Nature, 571, 2019
6RAN
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BU of 6ran by Molmil
Heterodimeric ABC exporter TmrAB in inward-facing wide conformation
分子名称: Multidrug resistance ABC transporter ATP-binding and permease protein, Nanobody Nb9F10
著者Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R.
登録日2019-04-06
公開日2019-07-31
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Conformation space of a heterodimeric ABC exporter under turnover conditions.
Nature, 571, 2019
6RAJ
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BU of 6raj by Molmil
Heterodimeric ABC exporter TmrAB in vanadate trapped outward-facing open conformation
分子名称: ADENOSINE-5'-TRIPHOSPHATE, ADP ORTHOVANADATE, MAGNESIUM ION, ...
著者Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R.
登録日2019-04-06
公開日2019-07-31
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Conformation space of a heterodimeric ABC exporter under turnover conditions.
Nature, 571, 2019
6RAK
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BU of 6rak by Molmil
Heterodimeric ABC exporter TmrAB in vanadate trapped outward-facing occluded conformation
分子名称: ADENOSINE-5'-TRIPHOSPHATE, ADP ORTHOVANADATE, MAGNESIUM ION, ...
著者Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R.
登録日2019-04-06
公開日2019-07-31
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Conformation space of a heterodimeric ABC exporter under turnover conditions.
Nature, 571, 2019
6RAL
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BU of 6ral by Molmil
Heterodimeric ABC exporter TmrAB under turnover conditions in asymmetric unlocked return conformation
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R.
登録日2019-04-06
公開日2019-07-31
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Conformation space of a heterodimeric ABC exporter under turnover conditions.
Nature, 571, 2019
6RAM
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BU of 6ram by Molmil
Heterodimeric ABC exporter TmrAB under turnover conditions in asymmetric unlocked return conformation with wider opened intracellular gate
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R.
登録日2019-04-06
公開日2019-07-31
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Conformation space of a heterodimeric ABC exporter under turnover conditions.
Nature, 571, 2019
6RAI
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BU of 6rai by Molmil
Heterodimeric ABC exporter TmrAB in ATP-bound outward-facing occluded conformation
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Multidrug resistance ABC transporter ATP-binding and permease protein, ...
著者Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R.
登録日2019-04-06
公開日2019-07-31
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Conformation space of a heterodimeric ABC exporter under turnover conditions.
Nature, 571, 2019
6RAF
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BU of 6raf by Molmil
Heterodimeric ABC exporter TmrAB in inward-facing narrow conformation under turnover conditions
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Anti-vesicular stomatitis virus N VHH, ...
著者Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R.
登録日2019-04-06
公開日2019-07-31
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Conformation space of a heterodimeric ABC exporter under turnover conditions.
Nature, 571, 2019
5EQL
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BU of 5eql by Molmil
Isoform-specific inhibition of SUMO-dependent protein-protein interactions
分子名称: SUMO-Affirmer-S2D5, Small ubiquitin-related modifier 2
著者Hughes, D.J, Tiede, C, Hall, N, Tang, A.A.S, Trinh, C.H, Zajac, K, Mandal, U, Howell, G, Edwards, T.A, McPherson, M.J, Tomlinson, D.C, Whitehouse, A.
登録日2015-11-13
公開日2016-11-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Generation of specific inhibitors of SUMO-1- and SUMO-2/3-mediated protein-protein interactions using Affimer (Adhiron) technology.
Sci Signal, 10, 2017
5ELU
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BU of 5elu by Molmil
Isoform-specific inhibition of SUMO-dependent protein-protein interactions
分子名称: SULFATE ION, SUMO-Affirmer-S2B3, Small ubiquitin-related modifier 2
著者Hughes, D.J, Tiede, C, Hall, N, Tang, A.A.S, Trinh, C.H, Zajac, K, Mandal, U, Howell, G, Edwards, T.A, McPherson, M.J, Tomlinson, D.C, Whitehouse, A.
登録日2015-11-05
公開日2016-11-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Generation of specific inhibitors of SUMO-1- and SUMO-2/3-mediated protein-protein interactions using Affimer (Adhiron) technology.
Sci Signal, 10, 2017
5ELJ
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BU of 5elj by Molmil
Isoform-specific inhibition of SUMO-dependent protein-protein interactions
分子名称: SUMO-Affirmer-S2D5, Small ubiquitin-related modifier 1
著者Hughes, D.J, Tiede, C, Hall, N, Tang, A.A.S, Trinh, C.H, Zajac, K, Mandal, U, Howell, G, Edwards, T.A, McPherson, M.J, Tomlinson, D.C, Whitehouse, A.
登録日2015-11-04
公開日2016-11-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.983 Å)
主引用文献Generation of specific inhibitors of SUMO-1- and SUMO-2/3-mediated protein-protein interactions using Affimer (Adhiron) technology.
Sci Signal, 10, 2017
6RAH
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BU of 6rah by Molmil
Heterodimeric ABC exporter TmrAB in ATP-bound outward-facing open conformation
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Multidrug resistance ABC transporter ATP-binding and permease protein, ...
著者Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R.
登録日2019-04-06
公開日2019-07-31
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Conformation space of a heterodimeric ABC exporter under turnover conditions.
Nature, 571, 2019
4INB
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BU of 4inb by Molmil
Crystal Structure of the N-Terminal Domain of HIV-1 Capsid in Complex With benzodiazepine Inhibitor
分子名称: (3Z)-3-{[(2-methoxyethyl)amino]methylidene}-1-methyl-5-phenyl-7-(trifluoromethyl)-1H-1,5-benzodiazepine-2,4(3H,5H)-dione, Gag protein, SODIUM ION
著者Coulombe, R.
登録日2013-01-04
公開日2013-02-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Monitoring Binding of HIV-1 Capsid Assembly Inhibitors Using (19) F Ligand-and (15) N Protein-Based NMR and X-ray Crystallography: Early Hit Validation of a Benzodiazepine Series.
Chemmedchem, 8, 2013
5M4H
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BU of 5m4h by Molmil
Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase
分子名称: Heat shock protein HSP 90-alpha, SULFATE ION, [2,4-bis(oxidanyl)phenyl]-[(7~{S})-7-(trifluoromethyl)-6,7-dihydro-5~{H}-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
著者Baker, L.M, Brough, P, Surgenor, A.
登録日2016-10-18
公開日2017-02-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase.
J. Med. Chem., 60, 2017
5M4M
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BU of 5m4m by Molmil
Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase
分子名称: CHLORIDE ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, ...
著者Baker, L.M, Brough, P, Surgenor, A.
登録日2016-10-18
公開日2017-02-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase.
J. Med. Chem., 60, 2017
5M4E
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BU of 5m4e by Molmil
Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase
分子名称: Heat shock protein HSP 90-alpha, SULFATE ION, ~{N}-[2-(ethylamino)-2-oxidanylidene-ethyl]-~{N}-(4-methoxyphenyl)-2,4-bis(oxidanyl)benzamide
著者Baker, L.M.
登録日2016-10-18
公開日2017-02-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase.
J. Med. Chem., 60, 2017
5M4P
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BU of 5m4p by Molmil
Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase
分子名称: CHLORIDE ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, ...
著者Baker, L.M, Brough, P, Surgenor, A.
登録日2016-10-18
公開日2017-02-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase.
J. Med. Chem., 60, 2017

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