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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
5APH
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BU of 5aph by Molmil
Ligand complex of RORg LBD
分子名称: DIMETHYL SULFOXIDE, N-(2-FLUOROPHENYL)-4-[(4-FLUOROPHENYL)SULFONYL]-2,3,4,5-TETRAHYDRO-1,4-BENZOXAZEPIN-6-AMINE, NUCLEAR RECEPTOR COACTIVATOR 2, ...
著者Xue, Y, Aagaard, A, Narjes, F.
登録日2015-09-16
公開日2015-11-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Benzoxazepines Achieve Potent Suppression of IL-17 Release in Human T-Helper 17 (TH 17) Cells through an Induced-Fit Binding Mode to the Nuclear Receptor ROR gamma.
ChemMedChem, 11, 2016
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
5APJ
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BU of 5apj by Molmil
Ligand complex of RORg LBD
分子名称: 2-CHLORO-6-FLUORO-N-[4-[3-(TRIFLUOROMETHYL)PHENYL]SULFONYL-3,5-DIHYDRO-2H-1,4-BENZOXAZEPIN-7-YL]BENZAMIDE, NUCLEAR RECEPTOR COACTIVATOR 2, NUCLEAR RECEPTOR ROR-GAMMA, ...
著者Xue, Y, Aagaard, A, Narjes, F.
登録日2015-09-16
公開日2015-11-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Benzoxazepines Achieve Potent Suppression of IL-17 Release in Human T-Helper 17 (TH 17) Cells through an Induced-Fit Binding Mode to the Nuclear Receptor ROR gamma.
ChemMedChem, 11, 2016
5XHQ
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BU of 5xhq by Molmil
Apolipoprotein N-acyl Transferase
分子名称: Apolipoprotein N-acyltransferase, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Yingzhi, X, Yong, X, Guangyuan, L, Fei, S.
登録日2017-04-23
公開日2017-07-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.587 Å)
主引用文献Crystal structure of E. coli apolipoprotein N-acyl transferase
Nat Commun, 8, 2017
7N61
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BU of 7n61 by Molmil
structure of C2 projections and MIPs
分子名称: ADENOSINE-5'-DIPHOSPHATE, FAP147, FAP178, ...
著者Han, L, Zhang, K.
登録日2021-06-07
公開日2022-05-18
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM structure of an active central apparatus.
Nat.Struct.Mol.Biol., 29, 2022
7N6G
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BU of 7n6g by Molmil
C1 of central pair
分子名称: CPC1, Calmodulin, DPY30, ...
著者Han, L, Zhang, K.
登録日2021-06-08
公開日2022-05-18
最終更新日2022-06-01
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Cryo-EM structure of an active central apparatus.
Nat.Struct.Mol.Biol., 29, 2022
8VY9
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BU of 8vy9 by Molmil
CryoEM structure of Ggust-coupled TAS2R14 with cholesterol and an intracellular tastant
分子名称: 4-methyl-N-[(2M)-2-(1H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)pyrimidin-2-amine, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Kim, Y, Gumpper, R.H, Roth, B.L.
登録日2024-02-07
公開日2024-04-03
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (2.88 Å)
主引用文献Bitter taste receptor activation by cholesterol and an intracellular tastant.
Nature, 628, 2024
8VY7
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CryoEM structure of Gi-coupled TAS2R14 with cholesterol and an intracellular tastant
分子名称: 4-methyl-N-[(2M)-2-(1H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)pyrimidin-2-amine, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Kim, Y, Gumpper, R.H, Roth, B.L.
登録日2024-02-07
公開日2024-04-03
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (2.68 Å)
主引用文献Bitter taste receptor activation by cholesterol and an intracellular tastant.
Nature, 628, 2024
6U38
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BU of 6u38 by Molmil
PCSK9 in complex with a Fab and compound 8
分子名称: 2-fluoro-4-{[(1R)-1-methyl-6-{[(2S)-oxan-2-yl]methoxy}-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid, Fab Heavy Chain, Fab Light Chain, ...
著者Lu, J, Soisson, S.
登録日2019-08-21
公開日2019-11-06
最終更新日2020-01-29
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9.
Cell Chem Biol, 27, 2020
6U2N
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BU of 6u2n by Molmil
PCSK9 in complex with compound 4
分子名称: 4-{[(1R)-6-methoxy-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid, Proprotein convertase subtilisin/kexin type 9
著者Lu, J, Soisson, S.
登録日2019-08-20
公開日2019-11-06
最終更新日2020-01-29
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9.
Cell Chem Biol, 27, 2020
6U36
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BU of 6u36 by Molmil
PCSK9 in complex with a Fab and compound 14
分子名称: 2-fluoro-4-{[(1R)-6-(2-{4-[1-(4-methoxyphenyl)-5-methyl-6-oxo-1,6-dihydropyridazin-3-yl]-1H-1,2,3-triazol-1-yl}ethoxy)-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid, Fab Heavy Chain, Fab Light Chain, ...
著者Lu, J, Soisson, S.
登録日2019-08-21
公開日2019-11-06
最終更新日2020-01-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9.
Cell Chem Biol, 27, 2020
6U3X
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BU of 6u3x by Molmil
PCSK9 in complex with compound 2
分子名称: 2-[(1R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-(1,3-thiazol-2-yl)acetamide, Proprotein convertase subtilisin/kexin type 9
著者Lu, J, Soisson, S.
登録日2019-08-22
公開日2019-11-06
最終更新日2020-01-29
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9.
Cell Chem Biol, 27, 2020
6U26
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BU of 6u26 by Molmil
PCSK9 in complex with compound 16
分子名称: 4'-{[(1R)-6-{2-[2-({N~5~-[N,N'-bis(tert-butoxycarbonyl)carbamimidoyl]-N~2~-(tert-butoxycarbonyl)-L-ornithyl}amino)ethoxy]ethoxy}-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-2'-fluoro[1,1'-biphenyl]-4-carboxylic acid, Proprotein convertase subtilisin/kexin type 9
著者Orth, P.
登録日2019-08-19
公開日2019-11-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9.
Cell Chem Biol, 27, 2020
6U2P
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BU of 6u2p by Molmil
PCSK9 in complex with compound 5
分子名称: 1,2-ETHANEDIOL, 2-fluoro-4-{[(1R)-6-methoxy-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid, Proprotein convertase subtilisin/kexin type 9
著者Lu, J, Soisson, S.
登録日2019-08-20
公開日2019-11-06
最終更新日2020-01-29
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9.
Cell Chem Biol, 27, 2020
5XDZ
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BU of 5xdz by Molmil
Crystal structure of zebrafish SNX25 PX domain
分子名称: CHLORIDE ION, Cellular trafficking protein, SODIUM ION
著者Su, K, Zhang, Y, Xu, J, Liu, J.
登録日2017-03-30
公開日2017-06-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of the PX domain of SNX25 reveals a novel phospholipid recognition model by dimerization in the PX domain
FEBS Lett., 591, 2017
7UM7
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BU of 7um7 by Molmil
CryoEM structure of Go-coupled 5-HT5AR in complex with Methylergometrine
分子名称: (8beta)-N-[(2S)-1-hydroxybutan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide, 5-hydroxytryptamine receptor 5A, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Zhang, S, Fay, J.F, Roth, B.L.
登録日2022-04-06
公開日2022-07-20
最終更新日2022-07-27
実験手法ELECTRON MICROSCOPY (2.75 Å)
主引用文献Inactive and active state structures template selective tools for the human 5-HT 5A receptor.
Nat.Struct.Mol.Biol., 29, 2022
7UM5
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BU of 7um5 by Molmil
CryoEM structure of Go-coupled 5-HT5AR in complex with 5-CT
分子名称: 3-(2-azanylethyl)-1H-indole-5-carboxamide, 5-hydroxytryptamine receptor 5A, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Zhang, S, Fay, J.F, Roth, B.L.
登録日2022-04-06
公開日2022-07-20
最終更新日2022-07-27
実験手法ELECTRON MICROSCOPY (2.73 Å)
主引用文献Inactive and active state structures template selective tools for the human 5-HT 5A receptor.
Nat.Struct.Mol.Biol., 29, 2022
7UM4
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BU of 7um4 by Molmil
Crystal structure of inactive 5-HT5AR in complex with AS2674723
分子名称: 5-hydroxytryptamine receptor 5A, DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, ...
著者Zhang, S, Roth, B.L.
登録日2022-04-06
公開日2022-07-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Inactive and active state structures template selective tools for the human 5-HT 5A receptor.
Nat.Struct.Mol.Biol., 29, 2022
7UM6
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BU of 7um6 by Molmil
CryoEM structure of Go-coupled 5-HT5AR in complex with Lisuride
分子名称: 5-hydroxytryptamine receptor 5A, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Zhang, S, Fay, J.F, Roth, B.L.
登録日2022-04-06
公開日2022-07-20
最終更新日2022-07-27
実験手法ELECTRON MICROSCOPY (2.79 Å)
主引用文献Inactive and active state structures template selective tools for the human 5-HT 5A receptor.
Nat.Struct.Mol.Biol., 29, 2022
5Y5W
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BU of 5y5w by Molmil
Crystal structure of human Spindlin1 in complex with a histone H4K20(me3) peptide
分子名称: Histone peptide H4K20(me3), Spindlin-1
著者Wang, C, Zang, J.
登録日2017-08-10
公開日2017-10-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Spindlin-1 recognizes methylations of K20 and R23 of histone H4 tail
FEBS Lett., 592, 2018
5V9L
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BU of 5v9l by Molmil
KRAS G12C in bound to quinazoline based switch II pocket (SWIIP) binder
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Westover, K, Lu, J.
登録日2017-03-23
公開日2017-08-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.981 Å)
主引用文献Potent and Selective Covalent Quinazoline Inhibitors of KRAS G12C.
Cell Chem Biol, 24, 2017
7CKF
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BU of 7ckf by Molmil
The N-terminus of interferon-inducible antiviral protein-dimer
分子名称: ALUMINUM FLUORIDE, GUANOSINE-5'-DIPHOSPHATE, Guanylate-binding protein 5, ...
著者Cui, W, Yang, H.T.
登録日2020-07-16
公開日2021-05-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.284 Å)
主引用文献Structural basis for GTP-induced dimerization and antiviral function of guanylate-binding proteins.
Proc.Natl.Acad.Sci.USA, 118, 2021
7N9V
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BU of 7n9v by Molmil
CA-targeting nanobody is a tool for studying HIV-1 capsid lattice interactions
分子名称: Capsid protein, Nanobody-GYAR
著者Tripler, T.N.
登録日2021-06-18
公開日2022-06-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.45 Å)
主引用文献CA-targeting nanobody is a tool for studying HIV-1 capsid lattice interactions
To Be Published
6V40
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BU of 6v40 by Molmil
Structure of Salmonella Typhi TtsA
分子名称: 2,6-DIAMINOPIMELIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PG_binding_3 domain-containing protein
著者Galan, J.E, Lara-Tejero, M.
登録日2019-11-27
公開日2020-01-29
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.104 Å)
主引用文献Mechanisms of substrate recognition by a typhoid toxin secretion-associated muramidase.
Elife, 9, 2020

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