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8VJB
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BU of 8vjb by Molmil
Cryo-EM structure of short form insulin receptor (IR-A) with four IGF2 bound, symmetric conformation.
分子名称: Insulin-like growth factor II, Isoform Short of Insulin receptor
著者An, W, Hall, C, Li, J, Huang, A, Wu, J, Park, J, Bai, X.C, Choi, E.
登録日2024-01-06
公開日2024-03-27
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Activation of the insulin receptor by insulin-like growth factor 2.
Nat Commun, 15, 2024
8VJC
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BU of 8vjc by Molmil
Cryo-EM structure of short form insulin receptor (IR-A) with three IGF2 bound, asymmetric conformation.
分子名称: Insulin-like growth factor II, Isoform Short of Insulin receptor
著者An, W, Hall, C, Li, J, Huang, A, Wu, J, Park, J, Bai, X.C, Choi, E.
登録日2024-01-06
公開日2024-03-27
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Activation of the insulin receptor by insulin-like growth factor 2.
Nat Commun, 15, 2024
2V9Z
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BU of 2v9z by Molmil
Structure of the Rhodococcus haloalkane dehalogenase mutant with enhanced enantioselectivity
分子名称: HALOALKANE DEHALOGENASE
著者Koudelakova, T, Prokop, Z, Sato, Y, Lapkouski, M, Chovancova, E, Monincova, M, Jesenska, A, Emmer, J, Senda, T, Nagata, Y, Kuta Smatanova, I, Damborsky, J.
登録日2007-08-28
公開日2008-09-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Rational Engineering of Rhodococcus Haloalkane Dehalogenase with Enhanced Enantioselectivity
To be Published
5TDA
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BU of 5tda by Molmil
Crystal structure of the UBR-box domain from UBR2 in complex with RLWS N-degron
分子名称: ARG-LEU-TRP-SER peptide, E3 ubiquitin-protein ligase UBR2, ZINC ION
著者Munoz-Escobar, J, Kozlov, G, Gehring, K.
登録日2016-09-19
公開日2017-03-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (0.79 Å)
主引用文献Bound Waters Mediate Binding of Diverse Substrates to a Ubiquitin Ligase.
Structure, 25, 2017
5TDD
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BU of 5tdd by Molmil
Human UBR-box from UBR2 in complex with HIFS peptide
分子名称: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase UBR2, HIS-ILE-PHE-SER peptide, ...
著者Munoz-Escobar, J, Kozlov, G, Gehring, K.
登録日2016-09-19
公開日2017-03-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Bound Waters Mediate Binding of Diverse Substrates to a Ubiquitin Ligase.
Structure, 25, 2017
5UM3
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BU of 5um3 by Molmil
Crystal structure of the V122L mutant of human UBR-box domain from UBR2
分子名称: E3 ubiquitin-protein ligase UBR2, ZINC ION
著者Munoz Escobar, J, Kozlov, G, Gehring, K.
登録日2017-01-26
公開日2017-03-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.198 Å)
主引用文献Bound Waters Mediate Binding of Diverse Substrates to a Ubiquitin Ligase.
Structure, 25, 2017
5TDB
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BU of 5tdb by Molmil
Crystal structure of the human UBR-box domain from UBR2 in complex with asymmetrically double methylated arginine peptide
分子名称: 1,2-ETHANEDIOL, DA2-ILE-PHE-SER peptide, E3 ubiquitin-protein ligase UBR2, ...
著者Munoz-Escobar, J, Kozlov, G, Gehring, K.
登録日2016-09-19
公開日2017-03-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.101 Å)
主引用文献Bound Waters Mediate Binding of Diverse Substrates to a Ubiquitin Ligase.
Structure, 25, 2017
5XEQ
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BU of 5xeq by Molmil
Crystal Structure of human MDGA1 and human neuroligin-2 complex
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, MAM domain-containing glycosylphosphatidylinositol anchor protein 1, ...
著者Kim, H.M, Kim, J.A, Kim, D.
登録日2017-04-05
公開日2017-07-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.136 Å)
主引用文献Structural Insights into Modulation of Neurexin-Neuroligin Trans-synaptic Adhesion by MDGA1/Neuroligin-2 Complex
Neuron, 94, 2017
7ERQ
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BU of 7erq by Molmil
The regulatory domain of YeiE, a sulfite sensing LysR-type transcriptional regulator from Cronobacter sakazakii (ligand-free form)
分子名称: LysR family transcriptional regulator
著者Hong, S, Ha, N.-C.
登録日2021-05-06
公開日2022-03-23
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structures of YeiE from Cronobacter sakazakii and the role of sulfite tolerance in gram-negative bacteria.
Proc.Natl.Acad.Sci.USA, 119, 2022
7ERP
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BU of 7erp by Molmil
The regulatory domain of YeiE, a sulfite sensing LysR-type transcriptional regulator from Cronobacter sakazakii (sulfite-bound form)
分子名称: LysR family transcriptional regulator, SULFITE ION
著者Hong, S, Ha, N.-C.
登録日2021-05-06
公開日2022-03-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Crystal structures of YeiE from Cronobacter sakazakii and the role of sulfite tolerance in gram-negative bacteria.
Proc.Natl.Acad.Sci.USA, 119, 2022
7FDF
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BU of 7fdf by Molmil
The E145S mutant of the regulatory domain of YeiE, a sulfite sensing LysR-type transcriptional regulator from Cronobacter sakazakii (sulfate-bound form)
分子名称: LysR family transcriptional regulator, SULFATE ION
著者Hong, S, Ha, N.-C.
登録日2021-07-16
公開日2022-03-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structures of YeiE from Cronobacter sakazakii and the role of sulfite tolerance in gram-negative bacteria.
Proc.Natl.Acad.Sci.USA, 119, 2022
7LRQ
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BU of 7lrq by Molmil
Crystal structure of human SFPQ/NONO heterodimer, conserved DBHS region
分子名称: CHLORIDE ION, Non-POU domain-containing octamer-binding protein, Splicing factor, ...
著者Marshall, A.C, Bond, C.S, Mohnen, I.
登録日2021-02-17
公開日2021-05-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Paraspeckle subnuclear bodies depend on dynamic heterodimerisation of DBHS RNA-binding proteins via their structured domains.
J.Biol.Chem., 298, 2022
8RON
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BU of 8ron by Molmil
Crystal structure of human FAD synthase, isoform 2
分子名称: Isoform 2 of FAD synthase
著者Leo, G, Capaldi, S.
登録日2024-01-11
公開日2024-04-10
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural insights into the bifunctional enzyme human FAD synthase.
Structure, 32, 2024
8ROM
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BU of 8rom by Molmil
Crystal structure of human FAD synthase PAPS domain in complex with FAD
分子名称: FAD synthase, FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATE ION
著者Leo, G, Capaldi, S.
登録日2024-01-11
公開日2024-04-10
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Structural insights into the bifunctional enzyme human FAD synthase.
Structure, 32, 2024
7RWN
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BU of 7rwn by Molmil
Crystal Structure of BPTF bromodomain in complex with 4-chloro-5-{4-[(dimethylamino)methyl]anilino}-2-methylpyridazin-3(2H)-one
分子名称: 1,2-ETHANEDIOL, 4-chloro-5-{4-[(dimethylamino)methyl]anilino}-2-methylpyridazin-3(2H)-one, Nucleosome-remodeling factor subunit BPTF
著者Zahid, H, Buchholz, C, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K.
登録日2021-08-20
公開日2022-08-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition.
J.Med.Chem., 64, 2021
7RWP
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BU of 7rwp by Molmil
Crystal Structure of BPTF bromodomain in complex with 5-[4-(aminomethyl)anilino]-4-chloro-2-methylpyridazin-3(2H)-one
分子名称: 5-[4-(aminomethyl)anilino]-4-chloro-2-methylpyridazin-3(2H)-one, CALCIUM ION, Nucleosome-remodeling factor subunit BPTF
著者Zahid, H, Buchholz, C, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K.
登録日2021-08-20
公開日2022-08-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition.
J.Med.Chem., 64, 2021
7RWQ
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BU of 7rwq by Molmil
Crystal Structure of BPTF bromodomain in complex with 4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyridazin-3(2H)-one
分子名称: 4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyridazin-3(2H)-one, CALCIUM ION, Nucleosome-remodeling factor subunit BPTF
著者Zahid, H, Buchholz, C, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K.
登録日2021-08-20
公開日2022-08-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition.
J.Med.Chem., 64, 2021
7RWO
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BU of 7rwo by Molmil
Crystal Structure of BPTF bromodomain in complex with 4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyridazin-3(2H)-one
分子名称: 1,2-ETHANEDIOL, 4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyridazin-3(2H)-one, Nucleosome-remodeling factor subunit BPTF
著者Zahid, H, Buchholz, C, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K.
登録日2021-08-20
公開日2022-08-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition.
J.Med.Chem., 64, 2021
4NCG
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BU of 4ncg by Molmil
Discovery of Doravirine, an orally bioavailable non-nucleoside reverse transcriptase inhibitor potent against a wide range of resistant mutant HIV viruses
分子名称: 3-chloro-5-({1-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl}oxy)benzonitrile, Reverse transcriptase/ribonuclease H, p51 RT
著者Yan, Y.
登録日2013-10-24
公開日2014-02-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Discovery of MK-1439, an orally bioavailable non-nucleoside reverse transcriptase inhibitor potent against a wide range of resistant mutant HIV viruses.
Bioorg.Med.Chem.Lett., 24, 2014
8CC4
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BU of 8cc4 by Molmil
LasB bound to phosphonic acid based inhibitor
分子名称: CALCIUM ION, Elastase, ZINC ION, ...
著者Mueller, R, Sikandar, A.
登録日2023-01-26
公開日2023-12-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Inhibitors of the Elastase LasB for the Treatment of Pseudomonas aeruginosa Lung Infections.
Acs Cent.Sci., 9, 2023
5OWH
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BU of 5owh by Molmil
High salt structure of human protein kinase CK2alpha in complex with 3-aminopropyl-4,5,6,7-tetrabromobenzimidazol
分子名称: 3-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]propan-1-amine, CHLORIDE ION, Casein kinase II subunit alpha
著者Niefind, K, Bretner, M, Chojnacki, C.
登録日2017-09-01
公開日2018-07-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Biological properties and structural study of new aminoalkyl derivatives of benzimidazole and benzotriazole, dual inhibitors of CK2 and PIM1 kinases.
Bioorg. Chem., 80, 2018
5OWL
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BU of 5owl by Molmil
Low salt structure of human protein kinase CK2alpha in complex with 3-aminopropyl-4,5,6,7-tetrabromobenzimidazol
分子名称: 3-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]propan-1-amine, Casein kinase II subunit alpha, GLYCEROL, ...
著者Niefind, K, Bretner, M, Chojnacki, C.
登録日2017-09-01
公開日2018-07-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Biological properties and structural study of new aminoalkyl derivatives of benzimidazole and benzotriazole, dual inhibitors of CK2 and PIM1 kinases.
Bioorg. Chem., 80, 2018
7ODU
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BU of 7odu by Molmil
Natural killer cell receptor NKR-P1B from Rattus norvegicus in complex with its cognate ligand Clr-11
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, C-type lectin domain family 2 member D11, ...
著者Skalova, T, Blaha, J, Kalouskova, B, Skorepa, O, Vanek, O, Dohnalek, J.
登録日2021-04-30
公開日2022-06-01
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Natural killer cell receptor NKR-P1B from Rattus norvegicus in complex with its cognate ligand Clr-11
To Be Published
6S9B
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BU of 6s9b by Molmil
EGFR-KINASE IN COMPLEX WITH COMPOUND 1
分子名称: 3-fluoranyl-~{N}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-5-pyridin-3-yl-benzamide, Epidermal growth factor receptor
著者Bader, G.
登録日2019-07-12
公開日2019-11-20
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Start Selective and Rigidify: The Discovery Path toward a Next Generation of EGFR Tyrosine Kinase Inhibitors.
J.Med.Chem., 62, 2019
6S9C
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BU of 6s9c by Molmil
EGFR-KINASE IN COMPLEX WITH COMPOUND 5
分子名称: DIMETHYL SULFOXIDE, Epidermal growth factor receptor, ~{N}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-2-phenyl-pyridine-4-carboxamide
著者Bader, G.
登録日2019-07-12
公開日2019-11-20
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Start Selective and Rigidify: The Discovery Path toward a Next Generation of EGFR Tyrosine Kinase Inhibitors.
J.Med.Chem., 62, 2019

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件を2024-10-16に公開中

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