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3R34
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Crystal structure of Arthrobacter sp. strain SU 4-hydroxybenzoyl CoA thioesterase mutant E73D complexed with CoA
分子名称: 1,2-ETHANEDIOL, 4-hydroxybenzoyl-CoA thioesterase, COENZYME A
著者Holden, H.M, Thoden, J.B, Song, F, Zhuang, Z, Trujillo, M, Dunaway-Mariano, D.
登録日2011-03-15
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Catalytic Mechanism of the Hotdog-fold Enzyme Superfamily 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. Strain SU.
Biochemistry, 51, 2012
3R3F
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Crystal structure of Arthrobacter sp. strain SU 4-hydroxybenzoyl CoA thioesterase mutant T77A complexed with 4-hydroxyphenacyl CoA
分子名称: 4-HYDROXYPHENACYL COENZYME A, 4-hydroxybenzoyl-CoA thioesterase
著者Holden, H.M, Thoden, J.B, Song, F, Zhuang, Z, Trujillo, M, Dunaway-Mariano, D.
登録日2011-03-15
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The Catalytic Mechanism of the Hotdog-fold Enzyme Superfamily 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. Strain SU.
Biochemistry, 51, 2012
3R44
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Mycobacterium tuberculosis fatty acyl CoA synthetase
分子名称: HISTIDINE, MALONATE ION, fatty acyl CoA synthetase FADD13 (FATTY-ACYL-CoA SYNTHETASE)
著者Andersson, C.S, Martinez Molina, D, Hogbom, M.
登録日2011-03-17
公開日2012-02-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Mycobacterium tuberculosis Very-Long-Chain Fatty Acyl-CoA Synthetase: Structural Basis for Housing Lipid Substrates Longer than the Enzyme.
Structure, 20, 2012
3R4S
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BU of 3r4s by Molmil
Cell entry of botulinum neurotoxin type C is dependent upon interaction with two ganglioside molecules
分子名称: Botulinum neurotoxin type C1, N-acetyl-alpha-neuraminic acid, N-acetyl-beta-neuraminic acid
著者Strotmeier, J, Gu, S, Jutzi, S, Mahrhold, S, Zhou, J, Pich, A, Bigalke, H, Rummel, A, Jin, R, Binz, T.
登録日2011-03-17
公開日2011-06-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The biological activity of botulinum neurotoxin type C is dependent upon novel types of ganglioside binding sites.
Mol.Microbiol., 81, 2011
6UST
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BU of 6ust by Molmil
Gut microbial sulfatase from Hungatella hathewayi
分子名称: CALCIUM ION, N-acetylgalactosamine 6-sulfate sulfatase
著者Ervin, S.M, Redinbo, M.R.
登録日2019-10-28
公開日2020-11-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Insights into Endobiotic Reactivation by Human Gut Microbiome-Encoded Sulfatases.
Biochemistry, 59, 2020
7W2Z
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BU of 7w2z by Molmil
Cryo-EM structure of the ghrelin-bound human ghrelin receptor-Go complex
分子名称: Appetite-regulating hormone, CHOLESTEROL, Growth hormone secretagogue receptor type 1, ...
著者Qin, J, Ming, Q, Ji, S, Mao, C, Shen, D, Zhang, Y.
登録日2021-11-24
公開日2022-01-19
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Molecular mechanism of agonism and inverse agonism in ghrelin receptor.
Nat Commun, 13, 2022
3R4U
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BU of 3r4u by Molmil
Cell entry of botulinum neurotoxin type C is dependent upon interaction with two ganglioside molecules
分子名称: Botulinum neurotoxin type C1
著者Strotmeier, J, Gu, S, Jutzi, S, Mahrhold, S, Zhou, J, Pich, A, Bigalke, H, Rummel, A, Jin, R, Binz, T.
登録日2011-03-17
公開日2011-06-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The biological activity of botulinum neurotoxin type C is dependent upon novel types of ganglioside binding sites.
Mol.Microbiol., 81, 2011
6MOA
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C-terminal bromodomain of human BRD2 in complex with 4-(2-cyclopropyl-7-(6-methylquinolin-5-yl)-1H-benzo[d]imidazol-5-yl)-3,5-dimethylisoxazole inhibitor
分子名称: 4-(2-cyclopropyl-7-(6-methylquinolin-5-yl)-1H-benzo[d]imidazol-5-yl)-3,5-dimethylisoxazole, Bromodomain-containing protein 2, GLYCEROL
著者Lansdon, E.B, Newby, Z.E.R.
登録日2018-10-04
公開日2019-01-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.271 Å)
主引用文献Structure-guided discovery of a novel, potent, and orally bioavailable 3,5-dimethylisoxazole aryl-benzimidazole BET bromodomain inhibitor.
Bioorg. Med. Chem., 27, 2019
6MSM
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BU of 6msm by Molmil
Phosphorylated, ATP-bound human cystic fibrosis transmembrane conductance regulator (CFTR)
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, ADENOSINE-5'-TRIPHOSPHATE, CHOLESTEROL, ...
著者Zhang, Z, Liu, F, Chen, J.
登録日2018-10-16
公開日2018-11-21
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Molecular structure of the ATP-bound, phosphorylated human CFTR.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6MO7
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N-terminal bromodomain of human BRD2 with N-((4-(3-(N-cyclopentylsulfamoyl)-4-methylphenyl)-3-methylisoxazol-5-yl)methyl)acetamide inhibitor
分子名称: Bromodomain-containing protein 2, N-({4-[3-(cyclopentylsulfamoyl)-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl}methyl)acetamide
著者Lansdon, E.B, Newby, Z.E.R.
登録日2018-10-04
公開日2019-01-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure-guided discovery of a novel, potent, and orally bioavailable 3,5-dimethylisoxazole aryl-benzimidazole BET bromodomain inhibitor.
Bioorg. Med. Chem., 27, 2019
3QYE
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BU of 3qye by Molmil
Crystal Structure of Human TBC1D1 RabGAP domain
分子名称: TBC1 domain family member 1
著者Park, S.Y, Shoelson, S.E.
登録日2011-03-03
公開日2011-03-23
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of human TBC1D1 and TBC1D4 (AS160) RabGTPase-activating protein (RabGAP) domains reveal critical elements for GLUT4 translocation.
J.Biol.Chem., 286, 2011
4C9Z
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Crystal structure of Siah1 at 1.95 A resolution
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, E3 UBIQUITIN-PROTEIN LIGASE SIAH1, ...
著者Rimsa, V, Eadsforth, T.C, Hunter, W.N.
登録日2013-10-04
公開日2013-10-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Two High-Resolution Structures of the Human E3 Ubiquitin Ligase Siah1.
Acta Crystallogr.,Sect.F, 96, 2013
4CBN
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BU of 4cbn by Molmil
Crystal structure of Complement Factor D mutant R202A after conventional refinement
分子名称: COMPLEMENT FACTOR D, GLYCEROL
著者Forneris, F, Burnley, B.T, Gros, P.
登録日2013-10-15
公開日2013-12-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Ensemble Refinement Shows Conformational Flexibility in Crystal Structures of Human Complement Factor D
Acta Crystallogr.,Sect.D, 70, 2014
3R00
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BU of 3r00 by Molmil
The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors
分子名称: 5-bromo-1-benzofuran-2-carboxylic acid, IMIDAZOLE, Proto-oncogene serine/threonine-protein kinase pim-1
著者Liu, J.
登録日2011-03-07
公開日2011-05-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3R35
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BU of 3r35 by Molmil
Crystal structure of Arthrobacter sp. strain SU 4-hydroxybenzoyl CoA thioesterase mutant E73D complexed with 4-hydroxyphenacyl CoA
分子名称: 4-HYDROXYPHENACYL COENZYME A, 4-hydroxybenzoyl-CoA thioesterase
著者Holden, H.M, Thoden, J.B, Song, F, Zhuang, Z, Trujillo, M, Dunaway-Mariano, D.
登録日2011-03-15
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Catalytic Mechanism of the Hotdog-fold Enzyme Superfamily 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. Strain SU.
Biochemistry, 51, 2012
8DHA
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BU of 8dha by Molmil
Leptin-bound leptin receptor complex- focused interaction
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Leptin, Leptin receptor
著者Saxton, R.A, Caveney, N.A, Garcia, K.C.
登録日2022-06-25
公開日2023-04-19
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural insights into the mechanism of leptin receptor activation.
Nat Commun, 14, 2023
8DH8
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BU of 8dh8 by Molmil
Leptin-bound leptin receptor complex-full ECD
分子名称: Leptin, Leptin receptor
著者Saxton, R.A, Caveney, N.A, Garcia, K.C.
登録日2022-06-25
公開日2023-04-19
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (5.9 Å)
主引用文献Structural insights into the mechanism of leptin receptor activation.
Nat Commun, 14, 2023
6V1C
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BU of 6v1c by Molmil
Crystal structure of human trefoil factor 3 in complex with its cognate ligand
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-beta-D-galactopyranose, Trefoil factor 3
著者Jarva, M.A, Lingford, J.P, John, A, Scott, N.E, Goddard-Borger, E.D.
登録日2019-11-20
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Trefoil factors share a lectin activity that defines their role in mucus.
Nat Commun, 11, 2020
4LHY
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BU of 4lhy by Molmil
Crystal structure of GDP-bound Rab8:Rabin8
分子名称: GUANOSINE-5'-DIPHOSPHATE, Rab-3A-interacting protein, Ras-related protein Rab-8A, ...
著者Guo, Z, Hou, X.M, Goody, R.S, Itzen, A.
登録日2013-07-01
公開日2013-10-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Intermediates in the Guanine Nucleotide Exchange Reaction of Rab8 Protein Catalyzed by Guanine Nucleotide Exchange Factors Rabin8 and GRAB.
J.Biol.Chem., 288, 2013
7QE7
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BU of 7qe7 by Molmil
High-resolution structure of the Anaphase-promoting complex/cyclosome (APC/C) bound to co-activator Cdh1
分子名称: Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ...
著者Hoefler, A, Yu, J, Chang, L, Zhang, Z, Yang, J, Boland, A, Barford, D.
登録日2021-12-01
公開日2022-01-26
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献High-resolution structure of the Anaphase-promoting complex (APC/C) bound to co-activator Cdh1
To Be Published
4LHZ
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BU of 4lhz by Molmil
Crystal structure of GTP-bound Rab8:Rabin8
分子名称: GUANOSINE-5'-TRIPHOSPHATE, Rab-3A-interacting protein, Ras-related protein Rab-8A
著者Guo, Z, Hou, X.M, Goody, R.S, Itzen, A.
登録日2013-07-01
公開日2013-10-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Intermediates in the Guanine Nucleotide Exchange Reaction of Rab8 Protein Catalyzed by Guanine Nucleotide Exchange Factors Rabin8 and GRAB.
J.Biol.Chem., 288, 2013
3TCU
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BU of 3tcu by Molmil
Crystal Structure of NaK2K Channel D68E Mutant
分子名称: POTASSIUM ION, Potassium channel protein
著者Sauer, D.B, Zeng, W, Raghunathan, S, Jiang, Y.
登録日2011-08-09
公開日2011-10-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Protein interactions central to stabilizing the K+ channel selectivity filter in a four-sited configuration for selective K+ permeation.
Proc.Natl.Acad.Sci.USA, 108, 2011
6N55
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BU of 6n55 by Molmil
Crystal structure of human uridine-cytidine kinase 2 complexed with 2'-azidouridine
分子名称: 2'-azido-2'-deoxyuridine, GLYCEROL, PHOSPHATE ION, ...
著者Cuthbert, B.J, Nainar, S, Spitale, R.C, Goulding, C.W.
登録日2018-11-21
公開日2019-11-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.085 Å)
主引用文献An optimized chemical-genetic method for cell-specific metabolic labeling of RNA.
Nat.Methods, 17, 2020
7WMV
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BU of 7wmv by Molmil
Structure of human SGLT1-MAP17 complex bound with LX2761
分子名称: N-[2-(dimethylamino)ethyl]-2-methyl-2-[4-[4-[[2-methyl-5-[(2S,3R,4R,5S,6R)-6-methylsulfanyl-3,4,5-tris(oxidanyl)oxan-2-yl]phenyl]methyl]phenyl]butanoylamino]propanamide, PDZK1-interacting protein 1, Sodium/glucose cotransporter 1
著者Chen, L, Niu, Y, Cui, W.
登録日2022-01-17
公開日2022-11-16
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural mechanism of SGLT1 inhibitors.
Nat Commun, 13, 2022
3R02
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The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors
分子名称: 7-[(cis-4-aminocyclohexyl)amino]-5-bromo-1-benzofuran-2-carboxylic acid, IMIDAZOLE, Proto-oncogene serine/threonine-protein kinase pim-1
著者Xiang, Y, Hirth, B, Asmussen, G, Biemann, H.-P, Good, A, Fitzgerald, M, Gladysheva, T, Jancsics, K, Liu, J, Metz, M, Papoulis, A, Skerlj, R, Stepp, D.J, Wei, R.R.
登録日2011-03-07
公開日2011-05-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011

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