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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
5APK
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BU of 5apk 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 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 (2.1 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
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
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
5GZR
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BU of 5gzr by Molmil
Zika virus E protein complexed with a neutralizing antibody Z23-Fab
分子名称: Z23 Fab heavy chain, Z23 Fab light chain, structural protein E, ...
著者Gao, G.G, Shi, Y, Peng, R, Liu, S.
登録日2016-10-01
公開日2016-11-30
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (9.4 Å)
主引用文献Molecular determinants of human neutralizing antibodies isolated from a patient infected with Zika virus
Sci Transl Med, 8, 2016
6V3Z
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BU of 6v3z by Molmil
Structure of Salmonella enteritidis Sen1395
分子名称: Sen1395
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2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Mechanisms of substrate recognition by a typhoid toxin secretion-associated muramidase.
Elife, 9, 2020
7S5H
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BU of 7s5h by Molmil
PCSK9(deltaCRD) in complex with cyclic peptide 35
分子名称: (2E)-but-2-ene-1,4-diol, Pro-peptide from Proprotein convertase subtilisin/kexin type 9, Proprotein convertase subtilisin/kexin type 9, ...
著者Orth, P.
登録日2021-09-10
公開日2021-11-03
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.272 Å)
主引用文献A Series of Novel, Highly Potent, and Orally Bioavailable Next-Generation Tricyclic Peptide PCSK9 Inhibitors.
J.Med.Chem., 64, 2021
7S5G
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BU of 7s5g by Molmil
PCSK9 in complex with compound 19
分子名称: (2E)-but-2-ene-1,4-diol, GLYCEROL, Propeptide of Proprotein convertase subtilisin/kexin type 9, ...
著者Orth, P.
登録日2021-09-10
公開日2021-11-03
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (2.041 Å)
主引用文献A Series of Novel, Highly Potent, and Orally Bioavailable Next-Generation Tricyclic Peptide PCSK9 Inhibitors.
J.Med.Chem., 64, 2021
2MRM
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BU of 2mrm by Molmil
Solution structure of the rhodanese domain of YgaP from E. coli
分子名称: Membrane protein
著者Wang, W, Zhou, P, Tian, C, Wu, F.
登録日2014-07-12
公開日2014-10-08
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Fast conformational exchange between the sulfur-free and persulfide-bound rhodanese domain of E. coli YgaP
Biochem.Biophys.Res.Commun., 452, 2014
6XID
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BU of 6xid by Molmil
PCSK9(deltaCRD) in complex with cyclic peptide 51
分子名称: GLYCEROL, Peptide 51, Proprotein convertase subtilisin/kexin type 9
著者Orth, P.
登録日2020-06-19
公開日2020-11-18
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.482 Å)
主引用文献Series of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design.
J.Med.Chem., 63, 2020
6XIF
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BU of 6xif by Molmil
PCSK9(deltaCRD) in complex with cyclic peptide 83
分子名称: GLYCEROL, Peptide 83, Proprotein convertase subtilisin/kexin type 9
著者Orth, P.
登録日2020-06-19
公開日2020-11-18
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.774 Å)
主引用文献Series of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design.
J.Med.Chem., 63, 2020
6XIE
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BU of 6xie by Molmil
PCSK9(deltaCRD) in complex with cyclic peptide 77
分子名称: GLYCEROL, Peptide 77, Proprotein convertase subtilisin/kexin type 9
著者Orth, P.
登録日2020-06-19
公開日2020-11-18
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Series of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design.
J.Med.Chem., 63, 2020
6XIB
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BU of 6xib by Molmil
PCSK9(deltaCRD) in complex with cyclic peptide 30
分子名称: GLYCEROL, Peptide 30, Proprotein convertase subtilisin/kexin type 9
著者Orth, P.
登録日2020-06-19
公開日2020-11-18
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.546 Å)
主引用文献Series of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design.
J.Med.Chem., 63, 2020
6XIC
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BU of 6xic by Molmil
PCSK9(deltaCRD) in complex with cyclic peptide 40
分子名称: GLYCEROL, Peptide 40, Proprotein convertase subtilisin/kexin type 9
著者Orth, P.
登録日2020-06-19
公開日2020-11-18
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.377 Å)
主引用文献Series of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design.
J.Med.Chem., 63, 2020
3PUQ
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BU of 3puq by Molmil
CEKDM7A from C.Elegans, complex with alpha-KG
分子名称: 2-OXOGLUTARIC ACID, FE (II) ION, GLYCEROL, ...
著者Yang, Y, Wang, P, Xu, W, Xu, Y.
登録日2010-12-06
公開日2011-01-26
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Oncometabolite 2-hydroxyglutarate is a competitive inhibitor of alpha-ketoglutarate-dependent dioxygenases
Cancer Cell, 19, 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2024-11-06
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
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2024-10-30
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
3GV3
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BU of 3gv3 by Molmil
CXCL12 (SDF) in trigonal space group
分子名称: CXCL12 protein
著者Murphy, J.W, Crichlow, G, Lolis, E.
登録日2009-03-30
公開日2010-01-26
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Heterologous quaternary structure of CXCL12 and its relationship to the CC chemokine family.
Proteins, 78, 2009
3PUR
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BU of 3pur by Molmil
CEKDM7A from C.Elegans, complex with D-2-HG
分子名称: (2R)-2-hydroxypentanedioic acid, FE (II) ION, Lysine-specific demethylase 7 homolog, ...
著者Yang, Y, Wang, P, Xu, W, Xu, Y.
登録日2010-12-06
公開日2011-01-26
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Oncometabolite 2-hydroxyglutarate is a competitive inhibitor of alpha-ketoglutarate-dependent dioxygenases
Cancer Cell, 19, 2011
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2024-10-23
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2024-10-30
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2024-10-23
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2024-10-16
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
8RHZ
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BU of 8rhz by Molmil
Structure of CUL9-RBX1 ubiquitin E3 ligase complex in unneddylated conformation - symmetry expanded unneddylated dimer
分子名称: Cullin-9, E3 ubiquitin-protein ligase RBX1, ZINC ION
著者Hopf, L.V.M, Horn-Ghetko, D, Prabu, J.R, Schulman, B.A.
登録日2023-12-17
公開日2024-04-17
最終更新日2024-07-31
実験手法ELECTRON MICROSCOPY (3.37 Å)
主引用文献Noncanonical assembly, neddylation and chimeric cullin-RING/RBR ubiquitylation by the 1.8 MDa CUL9 E3 ligase complex.
Nat.Struct.Mol.Biol., 31, 2024
7LU5
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BU of 7lu5 by Molmil
SAMHD1(113-626) H206R D207N R366H
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1
著者Temple, J.T, Bowen, N.E.
登録日2021-02-20
公開日2021-11-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.57 Å)
主引用文献Structural and functional characterization explains loss of dNTPase activity of the cancer-specific R366C/H mutant SAMHD1 proteins.
J.Biol.Chem., 297, 2021

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