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6TBR
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BU of 6tbr by Molmil
Glycosylated AA13 Lytic polysaccharide monooxygenase from Aspergillus oryzae in P1 space group
Descriptor: AoAA13, ZINC ION
Authors:Frandsen, K.E.H, Muderspach, S.J, Tandrup, T, Poulsen, J.C.N, Lo Leggio, L.
Deposit date:2019-11-04
Release date:2020-03-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Further structural studies of the lytic polysaccharide monooxygenase AoAA13 belonging to the starch-active AA13 family
Amylase, 3(1), 2019
6RZ9
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BU of 6rz9 by Molmil
Crystal structure of the human cysteinyl leukotriene receptor 2 in complex with ONO-2770372
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2~{S})-8-[[4-[4-(5-fluoranyl-2-methyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dih ydro-1,4-benzoxazine-2-carboxylic acid, CHOLESTEROL, ...
Authors:Gusach, A, Luginina, A, Marin, E, Brouillette, R.L, Besserer-Offroy, E, Longpre, J.M, Ishchenko, A, Popov, P, Fujimoto, T, Maruyama, T, Stauch, B, Ergasheva, M, Romanovskaya, D, Stepko, A, Kovalev, K, Shevtsov, M, Gordeliy, V, Han, G.W, Sarret, P, Katritch, V, Borshchevskiy, V, Mishin, A, Cherezov, V.
Deposit date:2019-06-12
Release date:2019-12-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Structural basis of ligand selectivity and disease mutations in cysteinyl leukotriene receptors.
Nat Commun, 10, 2019
7AMD
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BU of 7amd by Molmil
In situ assembly of choline acetyltransferase ligands by a hydrothiolation reaction reveals key determinants for inhibitor design
Descriptor: Choline O-acetyltransferase, SODIUM ION, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-2,2-dimethyl-4-[[3-[2-[(1~{R})-2-(1-methylpyridin-4-yl)-1-naphthalen-1-yl-ethyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate
Authors:Allgardsson, A, Ekstrom, F.J, Wiktelius, D, Bergstrom, T, Hoster, N, Akfur, C, Forsgren, N, Lejon, C, Hedenstrom, M, Linusson, A.
Deposit date:2020-10-08
Release date:2020-10-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:In Situ Assembly of Choline Acetyltransferase Ligands by a Hydrothiolation Reaction Reveals Key Determinants for Inhibitor Design.
Angew.Chem.Int.Ed.Engl., 60, 2021
6JCS
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BU of 6jcs by Molmil
AAV5 in complex with AAVR
Descriptor: Capsid protein, Dyslexia-associated protein KIAA0319-like protein
Authors:Lou, Z, Zhang, R.
Deposit date:2019-01-30
Release date:2019-08-14
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:Divergent engagements between adeno-associated viruses with their cellular receptor AAVR.
Nat Commun, 10, 2019
6VBC
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BU of 6vbc by Molmil
Crystal structure of transpeptidase domain of PBP2 from Neisseria gonorrhoeae cephalosporin-resistant strain H041
Descriptor: Probable peptidoglycan D,D-transpeptidase PenA
Authors:Singh, A, Davies, C.
Deposit date:2019-12-18
Release date:2020-04-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Mutations in Neisseria gonorrhoeae penicillin-binding protein 2 associated with extended-spectrum cephalosporin resistance create an energetic barrier against acylation via restriction of protein dynamics
J.Biol.Chem., 2020
6CP8
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BU of 6cp8 by Molmil
Contact-dependent growth inhibition toxin-immunity protein complex from from E. coli 3006
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CdiA, CdiI, ...
Authors:Michalska, K, Stols, L, Eschenfeldt, W, Hayes, C.S, Goulding, C.W, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structure-Function Analysis of Polymorphic CDI Toxin-Immunity Protein Complexes (UC4CDI)
Deposit date:2018-03-13
Release date:2019-03-13
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:Convergent Evolution of the Barnase/EndoU/Colicin/RelE (BECR) Fold in Antibacterial tRNase Toxins.
Structure, 27, 2019
1T7A
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BU of 1t7a by Molmil
Crystal structure of mutant Lys8Asp of scorpion alpha-like neurotoxin BmK M1 from Buthus martensii Karsch
Descriptor: Alpha-like neurotoxin BmK-I
Authors:Xiang, Y, Guan, R.J, He, X.L, Wang, C.G, Wang, M, Zhang, Y, Sundberg, E.J, Wang, D.C.
Deposit date:2004-05-08
Release date:2004-09-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Mechanism Governing Cis and Trans Isomeric States and an Intramolecular Switch for Cis/Trans Isomerization of a Non-proline Peptide Bond Observed in Crystal Structures of Scorpion Toxins
J.Mol.Biol., 341, 2004
6CP9
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BU of 6cp9 by Molmil
Contact-dependent growth inhibition toxin - immunity protein complex from Klebsiella pneumoniae 342
Descriptor: CdiA, CdiI
Authors:Michalska, K, Stols, L, Eschenfeldt, W, Hayes, C.S, Goulding, C.W, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structure-Function Analysis of Polymorphic CDI Toxin-Immunity Protein Complexes (UC4CDI)
Deposit date:2018-03-13
Release date:2019-03-13
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Convergent Evolution of the Barnase/EndoU/Colicin/RelE (BECR) Fold in Antibacterial tRNase Toxins.
Structure, 27, 2019
6TBQ
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BU of 6tbq by Molmil
AA13 Lytic polysaccharide monooxygenase from Aspergillus oryzae partially in Cu(II) state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, AoAA13, COPPER (II) ION, ...
Authors:Muderspach, S.J, Lo Leggio, L, Tandrup, T, Frandsen, K.E.H, Poulsen, J.C.N.
Deposit date:2019-11-04
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Further structural studies of the lytic polysaccharide monooxygenase AoAA13 belonging to the starch-active AA13 family
Amylase, 3(1), 2019
6TC4
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BU of 6tc4 by Molmil
AA13 Lytic polysaccharide monooxygenase from Aspergillus oryzae measured with SSX
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, AoAA13, CHLORIDE ION, ...
Authors:Tandrup, T, Muderspach, S.J, Frandsen, K.E.H, Santoni, G, Poulsen, J.C.N, Lo Leggio, L.
Deposit date:2019-11-05
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Further structural studies of the lytic polysaccharide monooxygenase AoAA13 belonging to the starch-active AA13 family
Amylase, 3(1), 2019
1T7E
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BU of 1t7e by Molmil
Crystal structure of mutant Pro9Ser of scorpion alpha-like neurotoxin BmK M1 from Buthus martensii Karsch
Descriptor: Alpha-like neurotoxin BmK-I, PHOSPHATE ION
Authors:Xiang, Y, Guan, R.J, He, X.L, Wang, C.G, Wang, M, Zhang, Y, Sundberg, E.J, Wang, D.C.
Deposit date:2004-05-09
Release date:2004-09-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural Mechanism Governing Cis and Trans Isomeric States and an Intramolecular Switch for Cis/Trans Isomerization of a Non-proline Peptide Bond Observed in Crystal Structures of Scorpion Toxins
J.Mol.Biol., 341, 2004
6CY7
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BU of 6cy7 by Molmil
Human Stimulator of Interferon Genes
Descriptor: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, GLYCEROL, IMIDAZOLE, ...
Authors:Fernandez, D, Li, L, Ergun, S.L.
Deposit date:2018-04-04
Release date:2019-03-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:STING Polymer Structure Reveals Mechanisms for Activation, Hyperactivation, and Inhibition.
Cell, 178, 2019
6JCR
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BU of 6jcr by Molmil
AAV1 in neutral condition at 3.07 Ang
Descriptor: Capsid protein
Authors:Lou, Z, Zhang, R.
Deposit date:2019-01-30
Release date:2019-10-23
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.07 Å)
Cite:Divergent engagements between adeno-associated viruses with their cellular receptor AAVR.
Nat Commun, 10, 2019
7MXN
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BU of 7mxn by Molmil
PRMT5(M420T mutant):MEP50 complexed with inhibitor PF-06939999
Descriptor: (1S,2S,3S,5R)-3-{[6-(difluoromethyl)-5-fluoro-1,2,3,4-tetrahydroisoquinolin-8-yl]oxy}-5-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol, Methylosome protein 50, Protein arginine N-methyltransferase 5
Authors:McTigue, M, Deng, Y.L, Liu, W, Brooun, A.
Deposit date:2021-05-19
Release date:2021-11-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:SAM-Competitive PRMT5 Inhibitor PF-06939999 Demonstrates Antitumor Activity in Splicing Dysregulated NSCLC with Decreased Liability of Drug Resistance.
Mol.Cancer Ther., 21, 2022
7MX7
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BU of 7mx7 by Molmil
PRMT5:MEP50 complexed with inhibitor PF-06939999
Descriptor: (1S,2S,3S,5R)-3-{[6-(difluoromethyl)-5-fluoro-1,2,3,4-tetrahydroisoquinolin-8-yl]oxy}-5-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol, Methylosome protein 50, Protein arginine N-methyltransferase 5
Authors:McTigue, M, Deng, Y.L, Liu, W, Brooun, A.
Deposit date:2021-05-18
Release date:2021-11-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:SAM-Competitive PRMT5 Inhibitor PF-06939999 Demonstrates Antitumor Activity in Splicing Dysregulated NSCLC with Decreased Liability of Drug Resistance.
Mol.Cancer Ther., 21, 2022
7MXC
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BU of 7mxc by Molmil
PRMT5:MEP50 complexed with adenosine
Descriptor: ADENOSINE, Methylosome protein 50, Protein arginine N-methyltransferase 5
Authors:McTigue, M, Deng, Y.L, Liu, W, Brooun, A.
Deposit date:2021-05-18
Release date:2021-11-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:SAM-Competitive PRMT5 Inhibitor PF-06939999 Demonstrates Antitumor Activity in Splicing Dysregulated NSCLC with Decreased Liability of Drug Resistance.
Mol.Cancer Ther., 21, 2022
7MXA
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BU of 7mxa by Molmil
PRMT5:MEP50 complexed with inhibitor PF-06855800
Descriptor: 7-[(5R)-5-C-(4-chloro-3-fluorophenyl)-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Methylosome protein 50, Protein arginine N-methyltransferase 5
Authors:McTigue, M, Deng, Y.L, Liu, W, Brooun, A.
Deposit date:2021-05-18
Release date:2021-11-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.713 Å)
Cite:SAM-Competitive PRMT5 Inhibitor PF-06939999 Demonstrates Antitumor Activity in Splicing Dysregulated NSCLC with Decreased Liability of Drug Resistance.
Mol.Cancer Ther., 21, 2022
7MXG
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BU of 7mxg by Molmil
PRMT5(M420T mutant):MEP50 complexed with inhibitor PF-06855800
Descriptor: 7-[(5R)-5-C-(4-chloro-3-fluorophenyl)-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Methylosome protein 50, Protein arginine N-methyltransferase 5
Authors:McTigue, M, Deng, Y.L, Liu, W, Brooun, A.
Deposit date:2021-05-19
Release date:2021-11-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.395 Å)
Cite:SAM-Competitive PRMT5 Inhibitor PF-06939999 Demonstrates Antitumor Activity in Splicing Dysregulated NSCLC with Decreased Liability of Drug Resistance.
Mol.Cancer Ther., 21, 2022
1Q33
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BU of 1q33 by Molmil
Crystal structure of human ADP-ribose pyrophosphatase NUDT9
Descriptor: ADP-ribose pyrophosphatase, SULFATE ION, beta-D-glucopyranose
Authors:Shen, B.W, Perraud, A.L, Scharenberg, A, Stoddard, B.L.
Deposit date:2003-07-28
Release date:2003-09-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:The Crystal Structure and Mutational Analysis of Human NUDT9
J.Mol.Biol., 332, 2003
1GDC
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BU of 1gdc by Molmil
REFINED SOLUTION STRUCTURE OF THE GLUCOCORTICOID RECEPTOR DNA-BINDING DOMAIN
Descriptor: GLUCOCORTICOID RECEPTOR, ZINC ION
Authors:Baumann, H, Paulsen, K, Kovacs, H, Berglund, H, Wright, A.P.H, Gustafsson, J.-A, Hard, T.
Deposit date:1994-03-15
Release date:1994-06-22
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Refined solution structure of the glucocorticoid receptor DNA-binding domain.
Biochemistry, 32, 1993
1T7B
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BU of 1t7b by Molmil
Crystal structure of mutant Lys8Gln of scorpion alpha-like neurotoxin BmK M1 from Buthus martensii Karsch
Descriptor: Alpha-like neurotoxin BmK-I
Authors:Xiang, Y, Guan, R.J, He, X.L, Wang, C.G, Wang, M, Zhang, Y, Sundberg, E.J, Wang, D.C.
Deposit date:2004-05-09
Release date:2004-09-07
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural Mechanism Governing Cis and Trans Isomeric States and an Intramolecular Switch for Cis/Trans Isomerization of a Non-proline Peptide Bond Observed in Crystal Structures of Scorpion Toxins
J.Mol.Biol., 341, 2004
1SQM
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BU of 1sqm by Molmil
STRUCTURE OF [R563A] LEUKOTRIENE A4 HYDROLASE
Descriptor: ACETIC ACID, IMIDAZOLE, LEUKOTRIENE A-4 HYDROLASE, ...
Authors:Tholander, F.O.T, Rudberg, P.C, Thunnissen, M.M.G.M, Haeggstrom, J.Z.
Deposit date:2004-03-19
Release date:2004-08-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Leukotriene A4 hydrolase: identification of a common carboxylate recognition site for the epoxide hydrolase and aminopeptidase substrates
J.Biol.Chem., 279, 2004
7STI
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BU of 7sti by Molmil
Full-length insulin receptor bound with unsaturated insulin WT (1 insulin bound) asymmetric conformation
Descriptor: Insulin, Insulin receptor
Authors:Bai, X.C, Choi, E.
Deposit date:2021-11-13
Release date:2022-03-30
Last modified:2022-04-27
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:Synergistic activation of the insulin receptor via two distinct sites.
Nat.Struct.Mol.Biol., 29, 2022
7STJ
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BU of 7stj by Molmil
Full-length insulin receptor bound with unsaturated insulin WT (2 insulins bound) asymmetric conformation (Conformation 1)
Descriptor: Insulin, Insulin receptor
Authors:Bai, X.C, Choi, E.
Deposit date:2021-11-14
Release date:2022-03-30
Last modified:2022-04-27
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Synergistic activation of the insulin receptor via two distinct sites.
Nat.Struct.Mol.Biol., 29, 2022
7STK
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BU of 7stk by Molmil
Full-length insulin receptor bound with unsaturated insulin WT (2 insulins bound) asymmetric conformation (Conformation 2)
Descriptor: Insulin, Insulin receptor
Authors:Bai, X.C, Choi, E.
Deposit date:2021-11-14
Release date:2022-03-30
Last modified:2022-04-27
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Synergistic activation of the insulin receptor via two distinct sites.
Nat.Struct.Mol.Biol., 29, 2022

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數據於2024-10-16公開中

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