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3R3D
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Crystal structure of Arthrobacter sp. strain SU 4-hydroxybenzoyl CoA thioesterase mutant T77S 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
3RID
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X-ray structure of the C-terminal swapped dimer of P114A variant of Ribonuclease A
分子名称: 2'-DEOXYCYTIDINE-2'-DEOXYGUANOSINE-3',5'-MONOPHOSPHATE, PHOSPHATE ION, Ribonuclease pancreatic
著者Merlino, A, Balsamo, A, Mazzarella, L, Sica, F.
登録日2011-04-13
公開日2012-02-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Chain termini cross-talk in the swapping process of bovine pancreatic ribonuclease.
Biochimie, 94, 2012
7QVJ
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ESTROGEN RECEPTOR ALPHA IN COMPLEX WITH COMPOUND 29
分子名称: 2,2-bis(fluoranyl)-3-[(1~{R},3~{R})-1-[6-fluoranyl-3-[2-(3-fluoranylpropylamino)ethoxy]-2-methyl-phenyl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]propan-1-ol, Estrogen receptor
著者Breed, J.
登録日2022-01-21
公開日2023-02-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Discovery of a Potent and Orally Bioavailable Zwitterionic Series of Selective Estrogen Receptor Degrader-Antagonists.
J.Med.Chem., 66, 2023
7QVL
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OESTROGEN RECEPTOR LIGAND BINDING DOMAIN IN COMPLEX WITH COMPOUND 38
分子名称: (2~{R})-3-[(1~{R},3~{R})-1-[5-fluoranyl-2-[2-(3-fluoranylpropylamino)ethoxy]-3-methyl-pyridin-4-yl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-methyl-propanoic acid, Estrogen receptor
著者Breed, J.
登録日2022-01-21
公開日2023-02-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of a Potent and Orally Bioavailable Zwitterionic Series of Selective Estrogen Receptor Degrader-Antagonists.
J.Med.Chem., 66, 2023
3R36
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BU of 3r36 by Molmil
Crystal structure of Arthrobacter sp. strain SU 4-hydroxybenzoyl CoA thioesterase mutant E73Q complexed with 4-hydroxybenzoic acid
分子名称: 4-hydroxybenzoyl-CoA thioesterase, P-HYDROXYBENZOIC ACID
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 (1.95 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
7QA5
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BU of 7qa5 by Molmil
Solution structure of the C terminal domain of MgtC (PA4635) from Pseudomonas aeruginosa
分子名称: Protein MgtC
著者Barthe, P, Cohen-Gonsaud, M.
登録日2021-11-16
公開日2022-05-04
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Solution structure of the C terminal domain of MgtC (PA4635) from Pseudomonas aeruginosa
To Be Published
3S9G
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BU of 3s9g by Molmil
Structure of human Hexim1 (delta stammer) coiled coil domain
分子名称: Protein HEXIM1
著者Bigalke, J.M, Blankenfeldt, W, Geyer, M.
登録日2011-06-01
公開日2011-10-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure and Dynamics of a Stabilized Coiled-Coil Domain in the P-TEFb Regulator Hexim1.
J.Mol.Biol., 414, 2011
3S44
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Crystal Structure of Pasteurella multocida sialyltransferase M144D mutant with CMP bound
分子名称: Alpha-2,3/2,6-sialyltransferase/sialidase, CMP-3F(a)-Neu5Ac
著者Sugiarto, G, Lau, K, Li, Y, Lim, S, Ames, J.B, Le, D.-T, Fisher, A.J, Chen, X.
登録日2011-05-18
公開日2012-08-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献A Sialyltransferase Mutant with Decreased Donor Hydrolysis and Reduced Sialidase Activities for Directly Sialylating Lewis(x).
Acs Chem.Biol., 7, 2012
7P0V
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BU of 7p0v by Molmil
Crystal structure of human SF3A1 ubiquitin-like domain in complex with U1 snRNA stem-loop 4
分子名称: Isoform 2 of Splicing factor 3A subunit 1, PENTAETHYLENE GLYCOL, RNA (5'-R(P*GP*GP*GP*GP*AP*CP*UP*GP*CP*GP*UP*UP*CP*GP*CP*GP*CP*UP*UP*UP*CP*CP*CP*C)-3'), ...
著者Sabath, K, de Vries, T, Jonas, S.
登録日2021-06-30
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Sequence-specific RNA recognition by an RGG motif connects U1 and U2 snRNP for spliceosome assembly.
Proc.Natl.Acad.Sci.USA, 119, 2022
7YF1
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BU of 7yf1 by Molmil
Structure of FABP at 1.7 Angstroms resolution.
分子名称: Fatty acid-binding protein, heart, PALMITIC ACID
著者Liu, Y.h, Wang, L.l.
登録日2022-07-07
公開日2022-09-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Insights into Mouse H-FABP.
Life, 12, 2022
7RBS
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BU of 7rbs by Molmil
The crystal structure of Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with human ISG15
分子名称: Papain-like protease, Ubiquitin-like protein ISG15, ZINC ION
著者Osipiuk, J, Tesar, C, Jedrzejczak, R, Endres, M, Wydorski, P, Joachimiak, L, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-07-06
公開日2021-09-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献Dual domain recognition determines SARS-CoV-2 PLpro selectivity for human ISG15 and K48-linked di-ubiquitin.
Nat Commun, 14, 2023
3S8U
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BU of 3s8u by Molmil
Crystal structure of a 2-azido-adenine-modified RNA
分子名称: Ecoli 23 S rRNA Sarcin Ricin loop
著者Ennifar, E, Micura, R.
登録日2011-05-31
公開日2012-04-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献2'-Azido RNA, a Versatile Tool for Chemical Biology: Synthesis, X-ray Structure, siRNA Applications, Click Labeling.
Acs Chem.Biol., 7, 2012
3SD6
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BU of 3sd6 by Molmil
Crystal structure of the amino-terminal domain of human cardiac troponin C in complex with cadmium at 1.4 resolution.
分子名称: ACETATE ION, CADMIUM ION, CALCIUM ION, ...
著者Zhang, X.L, Paetzel, M.
登録日2011-06-08
公開日2012-06-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献The structure of cardiac troponin C regulatory domain with bound Cd(2+) reveals a closed conformation and unique ion coordination.
Acta Crystallogr.,Sect.D, 69, 2013
7RBR
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BU of 7rbr by Molmil
The crystal structure of Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with a Lys48-linked di-ubiquitin
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Papain-like protease, ...
著者Osipiuk, J, Tesar, C, Endres, M, Lanham, B.T, Wydorski, P, Fushman, D, Joachimiak, L, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-07-06
公開日2021-09-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Dual domain recognition determines SARS-CoV-2 PLpro selectivity for human ISG15 and K48-linked di-ubiquitin.
Nat Commun, 14, 2023
3QYL
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BU of 3qyl by Molmil
Sensitivity of receptor internal motions to ligand binding affinity and kinetic off-rate
分子名称: (7S)-7-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine, CALCIUM ION, CHLORIDE ION, ...
著者Collins, E.J, Lee, A.L, Carroll, M.J, Mauldin, R.V, Gromova, A.V, Singleton, S.F.
登録日2011-03-03
公開日2012-01-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Evidence for dynamics in proteins as a mechanism for ligand dissociation.
Nat.Chem.Biol., 8, 2012
7O3B
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BU of 7o3b by Molmil
Crystal structure of the TTBK2-CEP164 complex bound to a camelid nanobody
分子名称: Nanobody 36Z, Tau-tubulin kinase 2,Centrosomal protein of 164 kDa
著者e Silva, I.R, van Breugel, M.
登録日2021-04-01
公開日2021-09-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular mechanisms underlying the role of the centriolar CEP164-TTBK2 complex in ciliopathies.
Structure, 30, 2022
7O0S
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BU of 7o0s by Molmil
Crystal structure of the N-terminal domain of CEP164(1-109) bound to camelid nanobody 36Z
分子名称: Centrosomal protein of 164 kDa, Nanobody 36Z
著者e Silva, I.R, van Breugel, M.
登録日2021-03-26
公開日2021-09-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Molecular mechanisms underlying the role of the centriolar CEP164-TTBK2 complex in ciliopathies.
Structure, 30, 2022
3QX8
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BU of 3qx8 by Molmil
Crystal structure of MID domain from hAGO2 in complex with m7GpppG
分子名称: 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE, Protein argonaute-2
著者Frank, F, Fabian, M.R, Stepinski, J, Jemielity, J, Darzynkiewicz, E, Sonenberg, N, Nagar, B.
登録日2011-03-01
公開日2011-04-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural analysis of 5'-mRNA-cap interactions with the human AGO2 MID domain.
Embo Rep., 12, 2011
3RS0
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BU of 3rs0 by Molmil
H-Ras soaked in neat cyclopentanol: one of 10 in MSCS set
分子名称: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
著者Mattos, C, Buhrman, G, Kearney, B.
登録日2011-05-02
公開日2011-09-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Analysis of Binding Site Hot Spots on the Surface of Ras GTPase.
J.Mol.Biol., 413, 2011
3RM8
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AMCase in complex with Compound 2
分子名称: 2-methyl-3-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}-1H-indole, Acidic mammalian chitinase
著者Olland, A.
登録日2011-04-20
公開日2011-08-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification and Characterization of Acidic Mammalian Chitinase Inhibitors
J.Med.Chem., 53, 2010
3RS2
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H-Ras soaked in 50% 2,2,2-trifluoroethanol: one of 10 in MSCS set
分子名称: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
著者Mattos, C, Buhrman, G, Kearney, B.
登録日2011-05-02
公開日2011-09-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.836 Å)
主引用文献Analysis of Binding Site Hot Spots on the Surface of Ras GTPase.
J.Mol.Biol., 413, 2011
3Q8J
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BU of 3q8j by Molmil
Crystal Structure of Asteropsin A from Marine Sponge Asteropus sp.
分子名称: Asteropsin A, METHANOL
著者Bowling, J.J, Fronczek, F.R, Hamann, M.T, Li, H, Jung, J.H.
登録日2011-01-06
公開日2012-04-18
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (0.87 Å)
主引用文献An Uncommon Crystal Structure of a Marine Knottin Peptide from Asteropus sp.
To be published
7P6F
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1.93 A resolution X-ray crystal structure of the transcriptional regulator SrnR from Streptomyces griseus
分子名称: ACETATE ION, SODIUM ION, Transcriptional regulator SrnR
著者Mazzei, L, Ciurli, S.
登録日2021-07-16
公開日2022-05-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structure, dynamics, and function of SrnR, a transcription factor for nickel-dependent gene expression.
Metallomics, 13, 2021
7OLW
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BU of 7olw by Molmil
Structure of the N-terminal domain of BC2L-C lectin (1-131) in complex with a synthetic beta-N-fucoside ligand
分子名称: 5-(3-aminophenyl)furan-2-carboxamido-(beta-L-fucopyranose), Lectin
著者Bermeo, R, Varrot, A.
登録日2021-05-20
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Targeting a Multidrug-Resistant Pathogen: First Generation Antagonists of Burkholderia cenocepacia 's BC2L-C Lectin.
Acs Chem.Biol., 17, 2022
7OLU
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BU of 7olu by Molmil
Structure of the N-terminal domain of BC2L-C lectin (1-131) in complex with a synthetic beta-C-fucoside ligand
分子名称: (2-(4-(beta-L-fucopyranosylethynyl)phenyl)-2-methylpropan-1-amine, Lectin
著者Bermeo, R, Varrot, A.
登録日2021-05-20
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.793 Å)
主引用文献Targeting a Multidrug-Resistant Pathogen: First Generation Antagonists of Burkholderia cenocepacia 's BC2L-C Lectin.
Acs Chem.Biol., 17, 2022

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