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8AEB
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BU of 8aeb by Molmil
SARS-CoV-2 Main Protease complexed with N-(pyridin-3-ylmethyl)thioformamide
分子名称: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N-(pyridin-3-ylmethyl)thioformamide, ...
著者Hanoulle, X, Charton, J, Deprez, B.
登録日2022-07-12
公開日2023-03-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Novel dithiocarbamates selectively inhibit 3CL protease of SARS-CoV-2 and other coronaviruses.
Eur.J.Med.Chem., 250, 2023
6Q3G
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BU of 6q3g by Molmil
Structure of native bacteriophage P68
分子名称: Arstotzka protein, Head fiber protein, Inner core protein, ...
著者Dominik, H, Karel, S, Fuzik, T, Plevka, P.
登録日2018-12-04
公開日2019-11-06
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structure and genome ejection mechanism ofStaphylococcus aureusphage P68.
Sci Adv, 5, 2019
8GLT
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BU of 8glt by Molmil
Backbone model of de novo-designed chlorophyll-binding nanocage O32-15
分子名称: C2-chlorophyll-comp_O32-15_ctermHis, polyalanine model, C3-comp_O32-15
著者Redler, R.L, Ennist, N.M, Wang, S, Baker, D, Ekiert, D.C, Bhabha, G.
登録日2023-03-23
公開日2024-03-27
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (6.5 Å)
主引用文献De novo design of proteins housing excitonically coupled chlorophyll special pairs.
Nat.Chem.Biol., 2024
7OLX
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BU of 7olx by Molmil
MerTK kinase domain with type 1.5 inhibitor containing a tri-methyl pyrazole group
分子名称: CHLORIDE ION, Tyrosine-protein kinase Mer, ~{N}-[[3-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]methyl]-~{N}-methyl-5-[3-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyridin-2-yl]-1,3,4-oxadiazol-2-amine
著者Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Winter-Holt, J.
登録日2021-05-20
公開日2021-09-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Optimization of an Imidazo[1,2- a ]pyridine Series to Afford Highly Selective Type I1/2 Dual Mer/Axl Kinase Inhibitors with In Vivo Efficacy.
J.Med.Chem., 64, 2021
7OLS
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BU of 7ols by Molmil
MerTK kinase domain with type 1.5 inhibitor containing a di-methyl pyrazole group
分子名称: 5-[4-(1,5-dimethylpyrazol-4-yl)-2-methyl-phenyl]-~{N}-(imidazo[1,2-a]pyridin-6-ylmethyl)-~{N}-methyl-1,3,4-oxadiazol-2-amine, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Winter-Holt, J.
登録日2021-05-20
公開日2021-09-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Optimization of an Imidazo[1,2- a ]pyridine Series to Afford Highly Selective Type I1/2 Dual Mer/Axl Kinase Inhibitors with In Vivo Efficacy.
J.Med.Chem., 64, 2021
7OLV
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BU of 7olv by Molmil
MerTK kinase domain with type 1.5 inhibitor containing a di-methyl, cyano pyrazole group
分子名称: 4-[4-[5-[imidazo[1,2-a]pyridin-6-ylmethyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-3-methyl-phenyl]-2,5-dimethyl-pyrazole-3-carbonitrile, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Winter-Holt, J.
登録日2021-05-20
公開日2021-09-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Optimization of an Imidazo[1,2- a ]pyridine Series to Afford Highly Selective Type I1/2 Dual Mer/Axl Kinase Inhibitors with In Vivo Efficacy.
J.Med.Chem., 64, 2021
7K9Z
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BU of 7k9z by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with the Fab fragments of neutralizing antibodies 298 and 52
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 298 Fab Heavy Chain, 298 Fab Light Chain, ...
著者Newton, J.C, Kucharska, I, Rujas, E, Cui, H, Julien, J.P.
登録日2020-09-29
公開日2020-10-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Multivalency transforms SARS-CoV-2 antibodies into ultrapotent neutralizers.
Nat Commun, 12, 2021
6V25
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BU of 6v25 by Molmil
Complex of mutant (K162M) of E. coli L-asparaginase II with L-Asp
分子名称: ASPARTIC ACID, L-asparaginase 2
著者Lubkowski, J, Wlodawer, A.
登録日2019-11-22
公開日2020-05-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Mechanism of Catalysis by l-Asparaginase.
Biochemistry, 59, 2020
6V24
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BU of 6v24 by Molmil
Complex of mutant (K162M) of E. coli L-asparaginase II with L-Asp. Covalent acyl-enzyme intermediate.
分子名称: ASPARTIC ACID, L-asparaginase 2
著者Lubkowski, J, Wlodawer, A.
登録日2019-11-22
公開日2020-05-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Mechanism of Catalysis by l-Asparaginase.
Biochemistry, 59, 2020
6V2G
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BU of 6v2g by Molmil
Complex of mutant (K162M) of E. coli L-asparaginase II with L-Asp. Covalent acyl-enzyme intermediate and tetrahedral intermediate.
分子名称: L-asparaginase 2
著者Lubkowski, J, Wlodawer, A.
登録日2019-11-22
公開日2020-05-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Mechanism of Catalysis by l-Asparaginase.
Biochemistry, 59, 2020
6V2A
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BU of 6v2a by Molmil
Complex of double mutant (T89V,K162T) of E. coli L-asparaginase II with L-Asn
分子名称: ASPARAGINE, L-asparaginase 2
著者Lubkowski, J, Wlodawer, A.
登録日2019-11-22
公開日2020-05-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mechanism of Catalysis by l-Asparaginase.
Biochemistry, 59, 2020
6V23
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BU of 6v23 by Molmil
Ligand-free L-aspraginase II from E. coli (EcAII)
分子名称: L-asparaginase 2
著者Lubkowski, J, Wlodawer, A.
登録日2019-11-22
公開日2020-05-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Mechanism of Catalysis by l-Asparaginase.
Biochemistry, 59, 2020
6V2B
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BU of 6v2b by Molmil
Complex of double mutant (T89V,K162T) of E. coli L-asparaginase II with L-Asn
分子名称: ASPARAGINE, CITRIC ACID, L-asparaginase 2
著者Lubkowski, J, Wlodawer, A.
登録日2019-11-22
公開日2020-05-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Mechanism of Catalysis by l-Asparaginase.
Biochemistry, 59, 2020
6V28
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BU of 6v28 by Molmil
Complex of double mutant (T89V,K162T) of E. coli L-asparaginase II with L-Asp
分子名称: GLYCEROL, IMIDAZOLE, L-asparaginase 2
著者Lubkowski, J, Wlodawer, A.
登録日2019-11-22
公開日2020-05-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Mechanism of Catalysis by l-Asparaginase.
Biochemistry, 59, 2020
6V29
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BU of 6v29 by Molmil
Complex of double mutant (T89V,K162T) of E. coli L-asparaginase II with L-Asp
分子名称: ASPARTIC ACID, GLYCEROL, L-asparaginase 2
著者Lubkowski, J, Wlodawer, A.
登録日2019-11-22
公開日2020-05-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mechanism of Catalysis by l-Asparaginase.
Biochemistry, 59, 2020
7NSO
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BU of 7nso by Molmil
Structure of ErmDL-Erythromycin-stalled 70S E. coli ribosomal complex with P-tRNA
分子名称: 16S rRNA (1540-MER), 23S rRNA (2903-MER), 30S ribosomal protein S10, ...
著者Beckert, B, Wilson, D.N.
登録日2021-03-08
公開日2021-07-14
最終更新日2021-08-11
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural and mechanistic basis for translation inhibition by macrolide and ketolide antibiotics.
Nat Commun, 12, 2021
7NSP
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BU of 7nsp by Molmil
Structure of ErmDL-Erythromycin-stalled 70S E. coli ribosomal complex with A and P-tRNA
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Beckert, B, Wilson, D.N.
登録日2021-03-08
公開日2021-08-11
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural and mechanistic basis for translation inhibition by macrolide and ketolide antibiotics.
Nat Commun, 12, 2021
6V27
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BU of 6v27 by Molmil
Complex of double mutant (T89V,K162T) of E. coli L-asparaginase II with L-Asp
分子名称: L-asparaginase 2
著者Lubkowski, J, Wlodawer, A.
登録日2019-11-22
公開日2020-05-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Mechanism of Catalysis by l-Asparaginase.
Biochemistry, 59, 2020
6V2C
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BU of 6v2c by Molmil
Complex of mutant (K162M) of E. coli L-asparaginase II with L-Asp. Covalent acyl-enzyme intermediate and tetrahedral intermediate
分子名称: L-asparaginase 2
著者Lubkowski, J, Wlodawer, A.
登録日2019-11-22
公開日2020-05-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mechanism of Catalysis by l-Asparaginase.
Biochemistry, 59, 2020
6V26
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BU of 6v26 by Molmil
Complex of mutant (K162M) of E. coli L-asparaginase II with L-Asp
分子名称: ASPARTIC ACID, L-asparaginase 2
著者Lubkowski, J, Wlodawer, A.
登録日2019-11-22
公開日2020-05-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Mechanism of Catalysis by l-Asparaginase.
Biochemistry, 59, 2020
7NS7
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BU of 7ns7 by Molmil
Human L-alanine:glyoxylate aminotransferase minor allele variant: AGXT-Mi (P11L-I340M)
分子名称: L-alanine:glyoxylate aminotransferase
著者Cellini, B, Dindo, M.
登録日2021-03-05
公開日2022-03-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural dynamics shape the fitness window of alanine:glyoxylate aminotransferase.
Protein Sci., 31, 2022
7NSQ
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BU of 7nsq by Molmil
Structure of ErmDL-Telithromycin-stalled 70S E. coli ribosomal complex with A and P-tRNA
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Beckert, B, Wilson, D.N.
登録日2021-03-08
公開日2021-07-14
最終更新日2021-08-11
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural and mechanistic basis for translation inhibition by macrolide and ketolide antibiotics.
Nat Commun, 12, 2021
8EVM
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BU of 8evm by Molmil
De novo design of chlorophyll special pair containing protein assemblies
分子名称: Chlorophyll dimer protein designs, Special Pair 3 (SP3x)
著者Bera, A.K, Ennist, N.M.
登録日2022-10-20
公開日2024-05-15
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献De novo design of proteins housing excitonically coupled chlorophyll special pairs.
Nat.Chem.Biol., 2024
8AXP
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BU of 8axp by Molmil
Neisseria gonorrhoeae peptidyl-tRNA hydrolase complexed with an XChem hit.
分子名称: N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]acetamide, Peptidyl-tRNA hydrolase, SULFATE ION
著者Roe, S.M, Fearon, D.
登録日2022-08-31
公開日2022-11-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Synthesis of a Thiazole Library via an Iridium-Catalyzed Sulfur Ylide Insertion Reaction.
Org.Lett., 24, 2022
8SXP
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BU of 8sxp by Molmil
Crystal structure of long neurotoxin from the venom of the king cobra (3FTx-L15) in complex with Fab of broadly neutralizing antibody 95Mat5
分子名称: 95Mat5 Fab heavy chain, 95Mat5 Fab light chain, Long neurotoxin 2
著者Nguyen, T.K.Y.
登録日2023-05-23
公開日2024-03-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Synthetic development of a broadly neutralizing antibody against snake venom long-chain neurotoxins
Sci Transl Med, 16, 2024

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