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5WI9
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BU of 5wi9 by Molmil
Crystal structure of KL with an agonist Fab
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 39F7 Fab heavy chain, ...
著者Johnstone, S, Min, X, Wang, Z.
登録日2017-07-18
公開日2018-07-25
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Agonistic beta-Klotho antibody mimics fibroblast growth factor 21 (FGF21) functions.
J. Biol. Chem., 293, 2018
5YU9
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BU of 5yu9 by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with Ibrutinib
分子名称: 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, CHLORIDE ION, Epidermal growth factor receptor
著者Yan, X.E, Yun, C.H.
登録日2017-11-21
公開日2017-12-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Ibrutinib targets mutant-EGFR kinase with a distinct binding conformation.
Oncotarget, 7, 2016
4LN0
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BU of 4ln0 by Molmil
Crystal structure of the VGLL4-TEAD4 complex
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Transcription cofactor vestigial-like protein 4, ...
著者Wang, H, Shi, Z, Zhou, Z.
登録日2013-07-11
公開日2014-02-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.896 Å)
主引用文献A Peptide Mimicking VGLL4 Function Acts as a YAP Antagonist Therapy against Gastric Cancer.
Cancer Cell, 25, 2014
8JG8
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The crystal structure of human aurka kinase domain in the complex with aurka-compound 25
分子名称: 4-[5-[3-[bis(oxidanylidene)-$l^5-sulfanyl]oxyphenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine, Aurora kinase A
著者Zhu, C.J, Zhang, Z.M.
登録日2023-05-19
公開日2024-04-17
実験手法X-RAY DIFFRACTION (2.90002346 Å)
主引用文献Global Reactivity Profiling of the Catalytic Lysine in Human Kinome for Covalent Inhibitor Development.
Angew.Chem.Int.Ed.Engl., 63, 2024
8E59
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Human L-type voltage-gated calcium channel Cav1.3 in the presence of Amiodarone at 3.1 Angstrom resolution
分子名称: (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Gao, S, Yao, X, Yan, N.
登録日2022-08-20
公開日2022-12-07
最終更新日2022-12-21
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels.
Cell, 185, 2022
8E5A
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BU of 8e5a by Molmil
Human L-type voltage-gated calcium channel Cav1.3 treated with 1.4 mM Sofosbuvir at 3.3 Angstrom resolution
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Gao, S, Yao, X, Yan, N.
登録日2022-08-20
公開日2022-12-07
最終更新日2022-12-21
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels.
Cell, 185, 2022
8E5B
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BU of 8e5b by Molmil
Human L-type voltage-gated calcium channel Cav1.3 in the presence of Amiodarone and Sofosbuvir at 3.3 Angstrom resolution
分子名称: (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Gao, S, Yao, X, Yan, N.
登録日2022-08-20
公開日2022-12-07
最終更新日2022-12-21
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels.
Cell, 185, 2022
8E57
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Rabbit L-type voltage-gated calcium channel Cav1.1 in the presence of Amiodarone and 100 microM MNI-1 at 2.8 Angstrom resolution
分子名称: (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Gao, S, Yao, X, Yan, N.
登録日2022-08-20
公開日2022-12-07
最終更新日2022-12-21
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels.
Cell, 185, 2022
8E56
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BU of 8e56 by Molmil
Rabbit L-type voltage-gated calcium channel Cav1.1 in the presence of Amiodarone at 2.8 Angstrom resolution
分子名称: (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Gao, S, Yao, X, Yan, N.
登録日2022-08-20
公開日2022-12-07
最終更新日2022-12-21
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels.
Cell, 185, 2022
8E58
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BU of 8e58 by Molmil
Rabbit L-type voltage-gated calcium channel Cav1.1 in the presence of Amiodarone and 1 mM MNI-1 at 3.0 Angstrom resolution
分子名称: (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Gao, S, Yao, X, Yan, N.
登録日2022-08-20
公開日2022-12-07
最終更新日2022-12-21
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels.
Cell, 185, 2022
4RP9
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BU of 4rp9 by Molmil
Bacterial vitamin C transporter UlaA/SgaT in C2 form
分子名称: ASCORBIC ACID, Ascorbate-specific permease IIC component UlaA, PENTAETHYLENE GLYCOL, ...
著者Wang, J.W.
登録日2014-10-29
公開日2015-03-04
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.651 Å)
主引用文献Crystal structure of a phosphorylation-coupled vitamin C transporter.
Nat.Struct.Mol.Biol., 22, 2015
4RP8
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BU of 4rp8 by Molmil
Bacterial vitamin C transporter UlaA/SgaT in P21 form
分子名称: ASCORBIC ACID, Ascorbate-specific permease IIC component UlaA, nonyl beta-D-glucopyranoside
著者Wang, J.W.
登録日2014-10-29
公開日2015-03-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.359 Å)
主引用文献Crystal structure of a phosphorylation-coupled vitamin C transporter.
Nat.Struct.Mol.Biol., 22, 2015
8HB9
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BU of 8hb9 by Molmil
Crystal Structure of Human IDH1 R132H Mutant in Complex with NADPH and Compound IHMT-IDH1-053
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Isocitrate dehydrogenase [NADP] cytoplasmic, ...
著者Guo, G, Wang, B, Liu, J, Liu, Q.
登録日2022-10-27
公開日2023-05-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-based discovery of IHMT-IDH1-053 as a potent irreversible IDH1 mutant selective inhibitor.
Eur.J.Med.Chem., 256, 2023
4ZH6
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BU of 4zh6 by Molmil
Crystal Structure of the Domain-Swapped Dimer Y60L mutant of Human Cellular Retinol Binding Protein II
分子名称: ACETATE ION, Retinol-binding protein 2
著者Assar, Z, Nossoni, Z, Geiger, J.H.
登録日2015-04-24
公開日2016-06-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5497 Å)
主引用文献Domain-Swapped Dimers of Intracellular Lipid-Binding Proteins: Evidence for Ordered Folding Intermediates.
Structure, 24, 2016
4ZH9
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Crystal Structure of the Domain-Swapped Dimer Wild-Type of Human Cellular Retinol Binding Protein II
分子名称: Retinol-binding protein 2
著者Assar, Z, Nossoni, Z, Geiger, J.H.
登録日2015-04-24
公開日2016-06-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Domain-Swapped Dimers of Intracellular Lipid-Binding Proteins: Evidence for Ordered Folding Intermediates.
Structure, 24, 2016
4ZR2
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BU of 4zr2 by Molmil
Crystal Structure of the Domain-Swapped Dimer K40L:Q108K:Y60W mutant of Human Cellular Retinol Binding Protein II
分子名称: ACETATE ION, RETINAL, Retinol-binding protein 2
著者Assar, Z, Nossoni, Z, Geiger, J.H.
登録日2015-05-11
公開日2016-06-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8024 Å)
主引用文献Domain-Swapped Dimers of Intracellular Lipid-Binding Proteins: Evidence for Ordered Folding Intermediates.
Structure, 24, 2016
4FFV
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BU of 4ffv by Molmil
Crystal Structure of Dipeptidyl Peptidase IV (DPP4, DPP-IV, CD26) in Complex with 11A19 Fab
分子名称: 11A19 Fab heavy chain, 11A19 Fab light chain, Dipeptidyl peptidase 4
著者Wang, Z, Sudom, A, Walker, N.P, Min, X.
登録日2012-06-01
公開日2012-12-12
最終更新日2021-05-19
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献An Inhibitory Antibody Against DPP IV Improves Glucose Tolerance in vivo - Validation of Large Molecule Approach for DPP IV Inhibition
To be published
4DBF
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BU of 4dbf by Molmil
Crystal structures of Cg1458
分子名称: 2-HYDROXYHEPTA-2,4-DIENE-1,7-DIOATE ISOMERASE, MAGNESIUM ION
著者Ran, T.T, Xu, D.Q, Wang, W.W, Gao, Y.Y, Wang, M.T.
登録日2012-01-15
公開日2012-11-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of Cg1458 reveal a catalytic lid domain and a common catalytic mechanism for FAH family.
Biochem.J., 449, 2013
4N6J
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BU of 4n6j by Molmil
Crystal structure of human Striatin-3 coiled coil domain
分子名称: Striatin-3
著者Chen, C, Shi, Z, Zhou, Z.
登録日2013-10-13
公開日2014-02-26
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Striatins contain a noncanonical coiled coil that binds protein phosphatase 2A A subunit to form a 2:2 heterotetrameric core of striatin-interacting phosphatase and kinase (STRIPAK) complex.
J.Biol.Chem., 289, 2014
8QJR
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BU of 8qjr by Molmil
BRG1 bromodomain in complex with VBC via compound 17
分子名称: (2S,4R)-1-[(2R)-2-[3-[2-[4-[3-[4-[(1R,5S)-3-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-2-yl]oxycyclobutyl]oxypiperidin-1-yl]ethoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, CHLORIDE ION, Elongin-B, ...
著者Kerry, P.S, Hole, A.J, Perez-Dorado, J.I.
登録日2023-09-13
公開日2024-01-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.17 Å)
主引用文献PROTACs Targeting BRM (SMARCA2) Afford Selective In Vivo Degradation over BRG1 (SMARCA4) and Are Active in BRG1 Mutant Xenograft Tumor Models.
J.Med.Chem., 67, 2024
8QJS
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BU of 8qjs by Molmil
VHL/Elongin B/Elongin C complex with compound 155
分子名称: (2S,4R)-1-[(2R)-2-[3-[2-(2-methoxyethoxy)ethoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
著者Kerry, P.S, Hole, A.J, Perez-Dorado, J.I.
登録日2023-09-13
公開日2024-01-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.191 Å)
主引用文献PROTACs Targeting BRM (SMARCA2) Afford Selective In Vivo Degradation over BRG1 (SMARCA4) and Are Active in BRG1 Mutant Xenograft Tumor Models.
J.Med.Chem., 67, 2024
8QJT
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BU of 8qjt by Molmil
BRM (SMARCA2) Bromodomain in complex with ligand 10
分子名称: 2-[6-azanyl-5-[(1R,5S)-8-[2-(2-methoxyethoxy)pyridin-4-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]phenol, CHLORIDE ION, Probable global transcription activator SNF2L2, ...
著者Kerry, P.S, Hole, A.J, Perez-Dorado, J.I.
登録日2023-09-13
公開日2024-01-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.568 Å)
主引用文献PROTACs Targeting BRM (SMARCA2) Afford Selective In Vivo Degradation over BRG1 (SMARCA4) and Are Active in BRG1 Mutant Xenograft Tumor Models.
J.Med.Chem., 67, 2024
2L89
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BU of 2l89 by Molmil
Solution structure of Pdp1 PWWP domain reveals its unique binding sites for methylated H4K20 and DNA
分子名称: PWWP domain-containing protein 1
著者Qiu, Y, Zhang, J, Zhang, W.
登録日2011-01-07
公開日2011-12-21
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution structure of Pdp1 PWWP domain reveals its unique binding sites for methylated H4K20 and DNA
Biochem.J., 2011
4FFW
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BU of 4ffw by Molmil
Crystal Structure of Dipeptidyl Peptidase IV (DPP4, DPP-IV, CD26) in Complex with Fab + sitagliptin
分子名称: (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-A MINE, Dipeptidyl peptidase 4, Fab heavy chain, ...
著者Wang, Z, Sudom, A, Walker, N.P, Min, X.
登録日2012-06-01
公開日2012-12-12
最終更新日2021-05-19
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献An Inhibitory Antibody Against DPP IV Improves Glucose Tolerance in vivo - Validation of Large Molecule Approach for DPP IV Inhibition
To be published
2I47
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BU of 2i47 by Molmil
Crystal structure of catalytic domain of TACE with inhibitor
分子名称: 4-({[4-(BUT-2-YN-1-YLOXY)PHENYL]SULFONYL}METHYL)-1-[(3,5-DIMETHYLISOXAZOL-4-YL)SULFONYL]-N-HYDROXYPIPERIDINE-4-CARBOXAMIDE, ADAM 17, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ...
著者Xu, W, Condon, J.S, Lovering, F.E.
登録日2006-08-21
公開日2006-12-05
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification of potent and selective TACE inhibitors via the S1 pocket.
Bioorg.Med.Chem.Lett., 17, 2007

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