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6WX7
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BU of 6wx7 by Molmil
SOX2 bound to Importin-alpha 2
分子名称: Importin subunit alpha-1, Transcription factor SOX-2
著者Bikshapathi, J, Stewart, M, Forwood, J.K, Aragao, D, Roman, N.
登録日2020-05-09
公開日2020-10-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis for nuclear import selectivity of pioneer transcription factor SOX2.
Nat Commun, 12, 2021
6WX9
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BU of 6wx9 by Molmil
SOX2 bound to Importin-alpha 5
分子名称: Importin subunit alpha-5, Transcription factor SOX-2
著者Bikshapathi, J, Stewart, M, Forwood, J.K, Aragao, D, Roman, N.
登録日2020-05-10
公開日2020-10-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for nuclear import selectivity of pioneer transcription factor SOX2.
Nat Commun, 12, 2021
4AYW
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BU of 4ayw by Molmil
STRUCTURE OF THE HUMAN MITOCHONDRIAL ABC TRANSPORTER, ABCB10 (PLATE FORM)
分子名称: ATP-BINDING CASSETTE SUB-FAMILY B MEMBER 10, CHOLESTEROL HEMISUCCINATE, DODECYL-BETA-D-MALTOSIDE, ...
著者Pike, A.C.W, Shintre, C.A, Li, Q, Kim, J, von Delft, F, Barr, A.J, Das, S, Chaikuad, A, Xia, X, Quigley, A, Dong, Y, Dong, L, Krojer, T, Vollmar, M, Muniz, J.R.C, Bray, J.E, Berridge, G, Chalk, R, Gileadi, O, Burgess-Brown, N, Shrestha, L, Goubin, S, Yang, J, Mahajan, P, Mukhopadhyay, S, Bullock, A.N, Arrowsmith, C.H, Weigelt, J, Bountra, C, Edwards, A.M, Carpenter, E.P.
登録日2012-06-22
公開日2012-07-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structures of Abcb10, a Human ATP-Binding Cassette Transporter in Apo- and Nucleotide-Bound States
Proc.Natl.Acad.Sci.USA, 110, 2013
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
6WX8
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BU of 6wx8 by Molmil
SOX2 bound to Importin-alpha 3
分子名称: Importin subunit alpha-3, SULFATE ION, Transcription factor SOX-2
著者Bikshapathi, J, Stewart, M, Forwood, J.K, Aragao, D, Roman, N.
登録日2020-05-10
公開日2020-10-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for nuclear import selectivity of pioneer transcription factor SOX2.
Nat Commun, 12, 2021
5EW8
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BU of 5ew8 by Molmil
FIBROBLAST GROWTH FACTOR RECEPTOR 1 IN COMPLEX WITH JNJ-4275693
分子名称: Fibroblast growth factor receptor 1, SULFATE ION, ~{N}'-(3,5-dimethoxyphenyl)-~{N}'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-~{N}-propan-2-yl-ethane-1,2-diamine
著者Ogg, D, Breed, J.
登録日2015-11-20
公開日2016-03-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.63 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
6T5B
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BU of 6t5b by Molmil
KRasG12C ligand complex
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Phillips, C.
登録日2019-10-15
公開日2020-02-26
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Structure-Based Design and Pharmacokinetic Optimization of Covalent Allosteric Inhibitors of the Mutant GTPase KRASG12C.
J.Med.Chem., 63, 2020
6T5U
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BU of 6t5u by Molmil
KRasG12C ligand complex
分子名称: 1-[(7R)-16-chloro-15-(5-methyl-1H-indazol-4-yl)-9-oxa-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),11,13,15,17-pentaen-5-yl]prop-2-en-1-one, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Phillips, C.
登録日2019-10-17
公開日2020-02-19
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Structure-Based Design and Pharmacokinetic Optimization of Covalent Allosteric Inhibitors of the Mutant GTPase KRASG12C.
J.Med.Chem., 63, 2020
6T5V
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BU of 6t5v by Molmil
KRasG12C ligand complex
分子名称: 1-[4-[6-chloranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Phillips, C.
登録日2019-10-17
公開日2020-02-19
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Structure-Based Design and Pharmacokinetic Optimization of Covalent Allosteric Inhibitors of the Mutant GTPase KRASG12C.
J.Med.Chem., 63, 2020
4CCU
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BU of 4ccu by Molmil
Structure of the Human Anaplastic Lymphoma Kinase in Complex with 2-(5-(6-amino-5-((R)-1-(5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)ethoxy) pyridin-3-yl)-4-methylthiazol-2-yl)propan-2-ol
分子名称: 2-(5-(6-amino-5-((R)-1-(5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)ethoxy)pyridin-3-yl)-4-methylthiazol-2-yl)propan-2-ol, ALK TYROSINE KINASE RECEPTOR
著者McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A.
登録日2013-10-28
公開日2014-01-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Design of Potent and Selective Inhibitors to Overcome Clinical Alk Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014
4CCB
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BU of 4ccb by Molmil
Structure of the Human Anaplastic Lymphoma Kinase in Complex with 3-((R)-1-(5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)ethoxy)-5-(5-methyl-1H- pyrazol-4-yl)pyridin-2-amine
分子名称: 3-[(1R)-1-[5-fluoranyl-2-(1,2,3-triazol-2-yl)phenyl]ethoxy]-5-(3-methyl-1H-pyrazol-4-yl)pyridin-2-amine, ALK TYROSINE KINASE RECEPTOR
著者McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A.
登録日2013-10-21
公開日2014-01-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献The Design of Potent and Selective Inhibitors to Overcome Clinical Alk Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014
4CD0
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BU of 4cd0 by Molmil
Structure of L1196M Mutant Human Anaplastic Lymphoma Kinase in Complex with 2-(5-(6-amino-5-((R)-1-(5-fluoro-2-(2H-1,2,3-triazol-2- yl)phenyl)ethoxy)pyridin-3-yl)-4-methylthiazol-2-yl)propane-1,2-diol
分子名称: (2R)-2-[5-(6-amino-5-{(1R)-1-[2-(1,3-dihydro-2H-1,2,3-triazol-2-yl)-5-fluorophenyl]ethoxy}pyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]propane-1,2-diol, ALK TYROSINE KINASE RECEPTOR
著者McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A.
登録日2013-10-29
公開日2014-01-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献The Design of Potent and Selective Inhibitors to Overcome Clinical Alk Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014
6S0P
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BU of 6s0p by Molmil
Plant Cysteine Oxidase PCO4 from Arabidopsis thaliana
分子名称: FE (III) ION, Plant cysteine oxidase 4
著者White, M.D, Flashman, E, McDonough, M.A.
登録日2019-06-17
公開日2020-07-15
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Structures of Arabidopsis thaliana oxygen-sensing plant cysteine oxidases 4 and 5 enable targeted manipulation of their activity.
Proc.Natl.Acad.Sci.USA, 117, 2020
6SBP
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BU of 6sbp by Molmil
Plant Cysteine Oxidase PCO5 from Arabidopsis thaliana
分子名称: GLYCEROL, NICKEL (II) ION, Plant cysteine oxidase 5
著者White, M.D, Flashman, E, McDonough, M.A.
登録日2019-07-22
公開日2020-07-01
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Structures of Arabidopsis thaliana oxygen-sensing plant cysteine oxidases 4 and 5 enable targeted manipulation of their activity.
Proc.Natl.Acad.Sci.USA, 117, 2020
3LZ6
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BU of 3lz6 by Molmil
Guinea Pig 11beta hydroxysteroid dehydrogenase with PF-877423
分子名称: Corticosteroid 11-beta-dehydrogenase isozyme 1, N-adamantan-2-yl-1-ethyl-D-prolinamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Pauly, T.A.
登録日2010-03-01
公開日2011-05-04
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献The development and SAR of pyrrolidine carboxamide 11beta-HSD1 inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
6S7E
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BU of 6s7e by Molmil
Plant Cysteine Oxidase PCO4 from Arabidopsis thaliana (using PEG 3350 and NaF as precipitants)
分子名称: FE (III) ION, Plant cysteine oxidase 4
著者White, M.D, Levy, C.W, Flashman, E, McDonough, M.A.
登録日2019-07-04
公開日2020-07-22
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Structures of Arabidopsis thaliana oxygen-sensing plant cysteine oxidases 4 and 5 enable targeted manipulation of their activity.
Proc.Natl.Acad.Sci.USA, 117, 2020
8F86
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BU of 8f86 by Molmil
SIRT6 bound to an H3K9Ac nucleosome
分子名称: DNA (148-MER), Histone H2A type 1, Histone H2B, ...
著者Markert, J, Whedon, S, Wang, Z, Cole, P, Farnung, L.
登録日2022-11-21
公開日2023-04-05
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural Basis of Sirtuin 6-Catalyzed Nucleosome Deacetylation.
J.Am.Chem.Soc., 145, 2023
5FV2
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BU of 5fv2 by Molmil
Crystal structure of hVEGF in complex with VH domain antibody
分子名称: VASCULAR ENDOTHELIAL GROWTH FACTOR, VH DOMAIN ANTIBODY
著者Chung, C, Batuwangala, T.
登録日2016-02-02
公開日2016-02-17
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (3.45 Å)
主引用文献Novel Interaction Mechanism of a Domain Antibody Based Inhibitor of Human Vascular Endothelial Growth Factor with Greater Potency Than Ranibizumab and Bevacizumab and Improved Capacity Over Aflibercept.
J.Biol.Chem., 291, 2016
5FV1
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Crystal structure of hVEGF in complex with VK domain antibody
分子名称: VASCULAR ENDOTHELIAL GROWTH FACTOR A, VK DOMAIN ANTIBODY
著者Chung, C, Walker, A.
登録日2016-02-02
公開日2016-02-17
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Novel Interaction Mechanism of a Domain Antibody Based Inhibitor of Human Vascular Endothelial Growth Factor with Greater Potency Than Ranibizumab and Bevacizumab and Improved Capacity Over Aflibercept.
J.Biol.Chem., 291, 2016
6B3W
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BU of 6b3w by Molmil
Structure of Hs/AcPRC2 in complex with 5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one
分子名称: 5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one, Enhancer of zeste 2 polycomb repressive complex 2 subunit,Enhancer of zeste 2 polycomb repressive complex 2 subunit, Polycomb protein EED, ...
著者Gajiwala, K.S, Brooun, A, Liu, W, Deng, Y, Stewart, A.E.
登録日2017-09-25
公開日2017-12-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Optimization of Orally Bioavailable Enhancer of Zeste Homolog 2 (EZH2) Inhibitors Using Ligand and Property-Based Design Strategies: Identification of Development Candidate (R)-5,8-Dichloro-7-(methoxy(oxetan-3-yl)methyl)-2-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3,4-dihydroisoquinolin-1(2H)-one (PF-06821497).
J. Med. Chem., 61, 2018
2X5F
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Crystal structure of the methicillin-resistant Staphylococcus aureus Sar2028, an aspartate_tyrosine_phenylalanine pyridoxal-5'-phosphate dependent aminotransferase
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ASPARTATE_TYROSINE_PHENYLALANINE PYRIDOXAL-5' PHOSPHATE-DEPENDENT AMINOTRANSFERASE, MAGNESIUM ION, ...
著者Oke, M, Carter, L.G, Johnson, K.A, Liu, H, Mcmahon, S.A, White, M.F, Naismith, J.H.
登録日2010-02-08
公開日2010-07-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Scottish Structural Proteomics Facility: Targets, Methods and Outputs.
J.Struct.Funct.Genom., 11, 2010
2X3F
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Crystal Structure of the Methicillin-Resistant Staphylococcus aureus Sar2676, a Pantothenate Synthetase.
分子名称: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, PANTHOTHENATE SYNTHETASE, SULFATE ION
著者Oke, M, Carter, L.G, Johnson, K.A, Liu, H, Mcmahon, S.A, White, M.F, Naismith, J.H.
登録日2010-01-24
公開日2010-07-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The Scottish Structural Proteomics Facility: Targets, Methods and Outputs.
J.Struct.Funct.Genom., 11, 2010
4KB8
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CK1d in complex with 1-{4-[3-(4-FLUOROPHENYL)-1-METHYL-1H-PYRAZOL-4-YL]PYRIDIN-2-YL}-N-METHYLMETHANAMINE ligand
分子名称: 1-{4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]pyridin-2-yl}-N-methylmethanamine, Casein kinase I isoform delta, N-benzyl-4-(pyridin-3-yl)pyrimidin-2-amine, ...
著者Liu, S.
登録日2013-04-23
公開日2013-09-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Ligand-protein interactions of selective casein kinase 1 delta inhibitors.
J.Med.Chem., 56, 2013
4KBK
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CK1d in complex with (3S)-3-{4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]pyridin-2-yl}morpholine inhibitor
分子名称: (3S)-3-{4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]pyridin-2-yl}morpholine, Casein kinase I isoform delta, SULFATE ION
著者Liu, S.
登録日2013-04-23
公開日2013-09-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Ligand-protein interactions of selective casein kinase 1 delta inhibitors.
J.Med.Chem., 56, 2013
4KBA
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CK1d in complex with 9-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine inhibitor
分子名称: 9-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine, Casein kinase I isoform delta, SULFATE ION
著者Liu, S.
登録日2013-04-23
公開日2013-09-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Ligand-protein interactions of selective casein kinase 1 delta inhibitors.
J.Med.Chem., 56, 2013

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