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PDB: 17068 件

8QYE
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Catalytic core of endo-alpha-N-acetylgalactosaminidase from Bifidobacterium longum (EngBF) concieved by deep network hallucination: dEngBF4
分子名称: 1,2-ETHANEDIOL, ENDO-ALPHA-N-ACETYLGALACTOSAMINIDASE
著者Aghajari, N.
登録日2023-10-25
公開日2024-03-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Carving out a Glycoside Hydrolase Active Site for Incorporation into a New Protein Scaffold Using Deep Network Hallucination.
Acs Synth Biol, 13, 2024
4Y36
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Endothiapepsin in complex with fragment 4
分子名称: 1,2-ETHANEDIOL, 3-methylbenzohydrazide, Endothiapepsin, ...
著者Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G.
登録日2015-02-10
公開日2016-02-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
4Y3K
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BU of 4y3k by Molmil
Structure of Vaspin mutant E379S
分子名称: 1,2-ETHANEDIOL, SULFATE ION, Serpin A12
著者Pippel, J, Strater, N, Ulbricht, D, Schultz, S, Meier, R, Heiker, J.T.
登録日2015-02-10
公開日2015-08-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A unique serpin P1' glutamate and a conserved beta-sheet C arginine are key residues for activity, protease recognition and stability of serpinA12 (vaspin).
Biochem.J., 470, 2015
4Y3P
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Endothiapepsin in complex with fragment 17
分子名称: 1-(6-methylpyrimidin-4-yl)azepane, Endothiapepsin, GLYCEROL
著者Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G.
登録日2015-02-10
公開日2016-02-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
8QUC
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BU of 8quc by Molmil
Cryo-EM Structure of Human Kv3.1 in Complex with Modulator AUT1
分子名称: (5R)-5-ethyl-3-[6-(3-methoxy-4-methyl-phenoxy)pyridin-3-yl]imidazolidine-2,4-dione, 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, CHOLESTEROL HEMISUCCINATE, ...
著者Chi, G, Mckinley, G, Marsden, B, Pike, A.C.W, Ye, M, Brooke, L.M, Bakshi, S, Pilati, N, Marasco, A, Gunthorpe, M, Alvaro, G, Large, C, Lakshminaraya, B, Williams, E, Sauer, D.B.
登録日2023-10-16
公開日2024-04-03
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献The binding and mechanism of a positive allosteric modulator of Kv3 channels.
Nat Commun, 15, 2024
8IP8
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BU of 8ip8 by Molmil
Wheat 80S ribosome stalled on AUG-Stop boron dependently
分子名称: 18S ribosomal RNA, 40S ribosomal protein eL8, 40S ribosomal protein eS1, ...
著者Yokoyama, T, Tanaka, M, Saito, H, Nishimoto, M, Tsuda, K, Sotta, N, Shigematsu, H, Shirouzu, M, Iwasaki, S, Ito, T, Fujiwara, T.
登録日2023-03-14
公開日2024-02-21
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Boric acid intercepts 80S ribosome migration from AUG-stop by stabilizing eRF1.
Nat.Chem.Biol., 20, 2024
7QGL
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BU of 7qgl by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with MRS4602 (a 3-methyl-CMPCP derivative, compound 21 in paper) in the open state
分子名称: 5'-nucleotidase, CALCIUM ION, PENTAETHYLENE GLYCOL, ...
著者Strater, N.
登録日2021-12-08
公開日2022-02-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-Activity Relationship of 3-Methylcytidine-5'-alpha , beta-methylenediphosphates as CD73 Inhibitors.
J.Med.Chem., 65, 2022
4Y54
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Endothiapepsin in complex with fragment 56
分子名称: (2R)-(3-chlorophenyl)(hydroxy)ethanoic acid, 1,2-ETHANEDIOL, ACETATE ION, ...
著者Radeva, N, Heine, A, Klebe, G.
登録日2015-02-11
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
8I7V
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BU of 8i7v by Molmil
Cryo-EM structure of Acipimox bound human hydroxy-carboxylic acid receptor 2 in complex with Gi heterotrimer
分子名称: 5-methyl-4-oxidanyl-pyrazin-4-ium-2-carboxylic acid, 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Park, J.H, Ishimoto, N, Park, S.Y.
登録日2023-02-02
公開日2024-02-07
実験手法ELECTRON MICROSCOPY (2.77 Å)
主引用文献Structural basis for ligand recognition and signaling of hydroxy-carboxylic acid receptor 2.
Nat Commun, 14, 2023
7QGA
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Human CD73 (ecto 5'-nucleotidase) in complex with MRS4598 (a 3-methyl-CMPCP derivative, compound 16 in paper) in the open state
分子名称: 5'-nucleotidase, CALCIUM ION, TETRAETHYLENE GLYCOL, ...
著者Strater, N.
登録日2021-12-07
公開日2022-02-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-Activity Relationship of 3-Methylcytidine-5'-alpha , beta-methylenediphosphates as CD73 Inhibitors.
J.Med.Chem., 65, 2022
7QGO
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BU of 7qgo by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with MRS4602 (a 3-methyl-CMPCP derivative, compound 21 in paper) in the closed state (crystal form III)
分子名称: 5'-nucleotidase, ZINC ION, [[(2~{R},3~{S},4~{R},5~{R})-5-[(4~{E})-4-[(4-methoxycarbonylphenyl)methoxyimino]-3-methyl-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
著者Strater, N.
登録日2021-12-09
公開日2022-02-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.206 Å)
主引用文献Structure-Activity Relationship of 3-Methylcytidine-5'-alpha , beta-methylenediphosphates as CD73 Inhibitors.
J.Med.Chem., 65, 2022
7QIQ
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BU of 7qiq by Molmil
CRYSTAL STRUCTURE OF THE P1 aminobutanoic acid (ABU) BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX
分子名称: Chymotrypsin A chain A, Chymotrypsin A chain B, Chymotrypsin A chain C, ...
著者Dimos, N, Leppkes, J, Koksch, B, Wahl, M.C, Loll, B.
登録日2021-12-15
公開日2022-03-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Fluorine-induced polarity increases inhibitory activity of BPTI towards chymotrypsin.
Rsc Chem Biol, 3, 2022
4Y3E
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BU of 4y3e by Molmil
Endothiapepsin in complex with fragment 5
分子名称: 1H-isoindol-3-amine, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G.
登録日2015-02-10
公開日2016-02-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
4Y40
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BU of 4y40 by Molmil
Structure of Vaspin mutant D305C V383C
分子名称: 1,2-ETHANEDIOL, SULFATE ION, Serpin A12
著者Pippel, J, Strater, N, Ulbricht, D, Schultz, S, Meier, R, Heiker, J.T.
登録日2015-02-10
公開日2015-08-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A unique serpin P1' glutamate and a conserved beta-sheet C arginine are key residues for activity, protease recognition and stability of serpinA12 (vaspin).
Biochem.J., 470, 2015
6GQ1
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BU of 6gq1 by Molmil
Cryo-EM reconstruction of yeast 80S ribosome in complex with mRNA, tRNA and eEF2 (GMPPCP/sordarin)
分子名称: 18S ribosomal RNA, 40S ribosomal protein S0-A, 40S ribosomal protein S1-A, ...
著者Pellegrino, S, Demeshkina, N, Mancera-Martinez, E, Melnikov, S, Simonetti, A, Myasnikov, A, Yusupov, M, Yusupova, G, Hashem, Y.
登録日2018-06-07
公開日2018-07-11
最終更新日2018-08-08
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Structural Insights into the Role of Diphthamide on Elongation Factor 2 in mRNA Reading-Frame Maintenance.
J. Mol. Biol., 430, 2018
7QWR
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BU of 7qwr by Molmil
Structure of the ribosome-nascent chain containing an ER signal sequence in complex with NAC
分子名称: 28S rRNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ...
著者Jomaa, A, Gamerdinger, M, Hsieh, H, Wallisch, A, Chandrasekaran, V, Ulusoy, Z, Scaiola, A, Hegde, R, Shan, S, Ban, N, Deuerling, E.
登録日2022-01-25
公開日2022-03-09
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Mechanism of signal sequence handover from NAC to SRP on ribosomes during ER-protein targeting.
Science, 375, 2022
6H00
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BU of 6h00 by Molmil
Crystal structure of human pyridoxine 5-phophate oxidase, R116Q variant
分子名称: 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, Pyridoxine-5'-phosphate oxidase, ...
著者Mackinnon, S, Wilson, M.P, Shrestha, L, Bezerra, G.A, Newman, J, Fox, N, Sorrell, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Clayton, P.T, Mills, P.B, Yue, W.W.
登録日2018-07-05
公開日2018-08-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Crystal structure of human pyridoxine 5-phophate oxidase, R116Q variant
To Be Published
4YFB
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BU of 4yfb by Molmil
Structure of N-acylhomoserine lactone acylase MacQ in complex with phenylacetic acid
分子名称: 2-PHENYLACETIC ACID, GLYCEROL, Protein related to penicillin acylase
著者Yasutake, Y, Kusada, H, Kimura, N.
登録日2015-02-25
公開日2016-03-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Bifunctional quorum-quenching and antibiotic-acylase MacQ forms a 170-kDa capsule-shaped molecule containing spacer polypeptides
Sci Rep, 7, 2017
7QWS
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BU of 7qws by Molmil
Structure of ribosome translating beta-tubulin in complex with TTC5 and NAC
分子名称: 28S rRNA, 5.8S rRNA, 5S rRNA, ...
著者Jomaa, A, Gamerdinger, M, Hsieh, H, Wallisch, A, Chandrasekaran, V, Ulusoy, Z, Scaiola, A, Hegde, R, Shan, S, Ban, N, Deuerling, E.
登録日2022-01-25
公開日2022-03-09
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Mechanism of signal sequence handover from NAC to SRP on ribosomes during ER-protein targeting.
Science, 375, 2022
4YGM
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BU of 4ygm by Molmil
Vaccinia virus his-D4/A20(1-50) in complex with uracil
分子名称: DNA polymerase processivity factor component A20, SULFATE ION, URACIL, ...
著者Tarbouriech, N, Iseni, F, Burmeister, W.P.
登録日2015-02-26
公開日2015-06-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structure of the Vaccinia Virus Uracil-DNA Glycosylase in Complex with DNA.
J.Biol.Chem., 290, 2015
7QIR
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BU of 7qir by Molmil
CRYSTAL STRUCTURE OF THE P1 monofluorethylglycine(MfeGly) BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX
分子名称: Chymotrypsin A chain A, Chymotrypsin A chain B, Chymotrypsin A chain C, ...
著者Dimos, N, Leppkes, J, Koksch, B, Wahl, M.C, Loll, B.
登録日2021-12-15
公開日2022-03-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Fluorine-induced polarity increases inhibitory activity of BPTI towards chymotrypsin.
Rsc Chem Biol, 3, 2022
4WYZ
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BU of 4wyz by Molmil
The crystal structure of the A109G mutant of RNase A in complex with 3'UMP
分子名称: 3'-URIDINEMONOPHOSPHATE, Ribonuclease pancreatic
著者French, R.L, Gagne, D, Doucet, N, Simonovic, M.
登録日2014-11-18
公開日2015-11-18
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (1.449 Å)
主引用文献Perturbation of the Conformational Dynamics of an Active-Site Loop Alters Enzyme Activity.
Structure, 23, 2015
4WZO
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BU of 4wzo by Molmil
Complex of 70S ribosome with tRNA-fMet and mRNA
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Rozov, A, Demeshkina, N, Yusupov, M, Yusupova, G.
登録日2014-11-20
公開日2015-06-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structural insights into the translational infidelity mechanism.
Nat Commun, 6, 2015
7QIS
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BU of 7qis by Molmil
CRYSTAL STRUCTURE OF THE P1 difluoroethylglycine (DfeGly) BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX
分子名称: Chymotrypsin A chain A, Chymotrypsin A chain B, Chymotrypsin A chain C, ...
著者Dimos, N, Leppkes, J, Koksch, B, Wahl, M.C, Loll, B.
登録日2021-12-15
公開日2022-03-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Fluorine-induced polarity increases inhibitory activity of BPTI towards chymotrypsin.
Rsc Chem Biol, 3, 2022
4WT1
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BU of 4wt1 by Molmil
Complex of 70S ribosome with tRNA-Phe and mRNA with A-A mismatch in the second position in the A-site
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Rozov, A, Demeshkina, N, Yusupov, M, Yusupova, G.
登録日2014-10-29
公開日2015-06-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Structural insights into the translational infidelity mechanism.
Nat Commun, 6, 2015

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件を2024-08-28に公開中

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