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8GDJ
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BU of 8gdj by Molmil
Crystal Structure of HIV-1 LM/HT CLADE A/E CRF01 GP120 Core in Complex with TFH-II-128
分子名称: (3S,5R)-N-(4-chloro-3-fluorophenyl)-5-(hydroxymethyl)-1-(4-methylpiperazine-1-carbonyl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Nguyen, D.N, Tolbert, W.D, Pazgier, M.
登録日2023-03-06
公開日2024-03-20
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Crystal Structure of HIV-1 LM/HT CLADE A/E CRF01 GP120 Core in Complex with TFH-II-128
To Be Published
8GDK
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BU of 8gdk by Molmil
Crystal Structure of HIV-1 LM/HT CLADE A/E CRF01 GP120 Core in Complex with TFH-II-151
分子名称: (3S,5R)-N-(4-chloro-3-fluorophenyl)-5-(hydroxymethyl)-1-[(3R,5S)-3,4,5-trimethylpiperazine-1-carbonyl]piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Tolbert, W.D, Nguyen, D.N, Pazgier, M.
登録日2023-03-06
公開日2024-03-20
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Crystal Structure of HIV-1 LM/HT CLADE A/E CRF01 GP120 Core in Complex with TFH-II-151
To Be Published
8GKS
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BU of 8gks by Molmil
Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and AGF291 inhibitor
分子名称: GLYCINE, N-{4-[3-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)propyl]benzoyl}-L-glutamic acid, PYRIDOXAL-5'-PHOSPHATE, ...
著者Katinas, J.M, Dann III, C.E.
登録日2023-03-20
公開日2024-03-20
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Structural Characterization of 5-Substituted Pyrrolo[3,2- d ]pyrimidine Antifolate Inhibitors in Complex with Human Serine Hydroxymethyl Transferase 2.
Biochemistry, 2024
8GKU
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BU of 8gku by Molmil
Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and AGF355 inhibitor
分子名称: GLYCINE, N-{4-[5-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)pentyl]-2-fluorobenzoyl}-D-glutamic acid, PYRIDOXAL-5'-PHOSPHATE, ...
著者Katinas, J.M, Dann III, C.E.
登録日2023-03-20
公開日2024-03-20
実験手法X-RAY DIFFRACTION (3.06 Å)
主引用文献Structural Characterization of 5-Substituted Pyrrolo[3,2- d ]pyrimidine Antifolate Inhibitors in Complex with Human Serine Hydroxymethyl Transferase 2.
Biochemistry, 2024
8GKT
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Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and AGF320 inhibitor
分子名称: N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], N-{5-[5-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)pentyl]thiophene-2-carbonyl}-L-glutamic acid, Serine hydroxymethyltransferase, ...
著者Katinas, J.M, Dann III, C.E.
登録日2023-03-20
公開日2024-03-20
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Structural Characterization of 5-Substituted Pyrrolo[3,2- d ]pyrimidine Antifolate Inhibitors in Complex with Human Serine Hydroxymethyl Transferase 2.
Biochemistry, 2024
8GKY
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BU of 8gky by Molmil
Human mitochondrial serine hydroxymethyltransferase (SHMT2) Y105F in complex with PLP, glycine and AGF359 inhibitor
分子名称: GLYCINE, N-{4-[3-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)propyl]-2-fluorobenzoyl}-L-glutamic acid, PYRIDOXAL-5'-PHOSPHATE, ...
著者Katinas, J.M, Dann III, C.E.
登録日2023-03-20
公開日2024-03-20
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Structural Characterization of 5-Substituted Pyrrolo[3,2- d ]pyrimidine Antifolate Inhibitors in Complex with Human Serine Hydroxymethyl Transferase 2.
Biochemistry, 2024
8GKZ
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BU of 8gkz by Molmil
Human mitochondrial serine hydroxymethyltransferase (SHMT2) Y105F in complex with PLP, glycine and AGF362 inhibitor
分子名称: GLYCINE, N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-3-fluorothiophene-2-carbonyl}-L-glutamic acid, PYRIDOXAL-5'-PHOSPHATE, ...
著者Katinas, J.M, Dann III, C.E.
登録日2023-03-20
公開日2024-03-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structural Characterization of 5-Substituted Pyrrolo[3,2- d ]pyrimidine Antifolate Inhibitors in Complex with Human Serine Hydroxymethyl Transferase 2.
Biochemistry, 2024
6X6T
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BU of 6x6t by Molmil
Cryo-EM structure of an Escherichia coli coupled transcription-translation complex B1 (TTC-B1) containing an mRNA with a 24 nt long spacer, transcription factors NusA and NusG, and fMet-tRNAs at P-site and E-site
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S1, ...
著者Molodtsov, V, Ebright, R.H, Wang, C, Su, M.
登録日2020-05-29
公開日2020-09-02
最終更新日2020-09-23
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural basis of transcription-translation coupling.
Science, 369, 2020
8GKW
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BU of 8gkw by Molmil
Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and AGF359 inhibitor
分子名称: GLYCINE, N-{4-[3-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)propyl]-2-fluorobenzoyl}-L-glutamic acid, PYRIDOXAL-5'-PHOSPHATE, ...
著者Katinas, J.M, Dann III, C.E.
登録日2023-03-20
公開日2024-03-20
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Structural Characterization of 5-Substituted Pyrrolo[3,2- d ]pyrimidine Antifolate Inhibitors in Complex with Human Serine Hydroxymethyl Transferase 2.
Biochemistry, 2024
7S87
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BU of 7s87 by Molmil
Crystal Structure of Dihydroorotate dehydrogenase from Plasmodium falciparum in complex with Orotate, FMN, and inhibitor NCGC00600348-01
分子名称: (4R)-3-methyl-5-[(4R)-4-methyl-3,4-dihydroisoquinolin-2(1H)-yl]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2021-09-17
公開日2021-09-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystal Structure of Dihydroorotate dehydrogenase from Plasmodium falciparum in complex with Orotate, FMN, and inhibitor NCGC00600348-01
To Be Published
3HV0
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BU of 3hv0 by Molmil
Tryptophanyl-tRNA synthetase from Cryptosporidium parvum
分子名称: TRYPTOPHAN, Tryptophanyl-tRNA synthetase
著者Arakaki, T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
登録日2009-06-15
公開日2009-06-30
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Crystal structures of three protozoan homologs of tryptophanyl-tRNA synthetase.
Mol.Biochem.Parasitol., 177, 2011
7MMB
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BU of 7mmb by Molmil
Crystal structure of HCV NS3/4A D168A protease in complex with NR01-127
分子名称: 1,2-ETHANEDIOL, NS3 protease, SULFATE ION, ...
著者Zephyr, J, Schiffer, C.A.
登録日2021-04-29
公開日2022-03-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Deciphering the Molecular Mechanism of HCV Protease Inhibitor Fluorination as a General Approach to Avoid Drug Resistance.
J.Mol.Biol., 434, 2022
7MMC
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BU of 7mmc by Molmil
Crystal structure of HCV NS3/4A D168A protease in complex with NR01-115
分子名称: (1-methylcyclopropyl)methyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate, 1,2-ETHANEDIOL, NS3 protease, ...
著者Zephyr, J, Schiffer, C.A.
登録日2021-04-29
公開日2022-03-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Deciphering the Molecular Mechanism of HCV Protease Inhibitor Fluorination as a General Approach to Avoid Drug Resistance.
J.Mol.Biol., 434, 2022
5HOP
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BU of 5hop by Molmil
1.65 Angstrom resolution crystal structure of lmo0182 (residues 1-245) from Listeria monocytogenes EGD-e
分子名称: ACETATE ION, Lmo0182 protein
著者Halavaty, A.S, Light, S.H, Minasov, G, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2016-01-19
公開日2017-02-01
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Transferase Versus Hydrolase: The Role of Conformational Flexibility in Reaction Specificity.
Structure, 25, 2017
7ZAG
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BU of 7zag by Molmil
Cryo-EM structure of a Pyrococcus abyssi 30S bound to Met-initiator tRNA,mRNA, aIF1A and the C-terminal domain of aIF5B.
分子名称: 30S ribosomal protein S10, 30S ribosomal protein S11, 30S ribosomal protein S12, ...
著者Coureux, P.D, Bourgeois, G, Mechulam, Y, Schmitt, E, Kazan, R.
登録日2022-03-22
公開日2022-08-03
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (2.77 Å)
主引用文献Role of aIF5B in archaeal translation initiation.
Nucleic Acids Res., 50, 2022
7ZAH
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BU of 7zah by Molmil
Cryo-EM structure of a Pyrococcus abyssi 30S bound to Met-initiator tRNA, mRNA, aIF1A and aIF5B
分子名称: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者Coureux, P.D, Bourgeois, G, Mechulam, Y, Schmitt, E, Kazan, R.
登録日2022-03-22
公開日2022-08-03
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Role of aIF5B in archaeal translation initiation.
Nucleic Acids Res., 50, 2022
1OV6
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BU of 1ov6 by Molmil
M64V PNP + ALLO
分子名称: 9-(6-DEOXY-BETA-D-ALLOFURANOSYL)-6-METHYLPURINE, PHOSPHATE ION, Purine nucleoside phosphorylase
著者Ealick, S.E, Bennett, E.M, Anand, R, Secrist, J.A, Parker, P.W, Hassan, A.E, Allan, P.W, McPherson, D.T, Sorscher, E.J.
登録日2003-03-25
公開日2004-02-17
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Designer gene therapy using an Escherichia coli purine nucleoside phosphorylase/prodrug system.
Chem.Biol., 10, 2003
7Z20
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BU of 7z20 by Molmil
70S E. coli ribosome with an extended uL23 loop from Candidatus marinimicrobia and a stalled filamin domain 5 nascent chain
分子名称: 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
著者Mitropoulou, A, Plessa, E, Wlodarski, T, Ahn, M, Sidhu, H, Becker, T.A, Beckmann, R, Cabrita, L.D, Christodoulou, J.
登録日2022-02-25
公開日2022-08-10
実験手法ELECTRON MICROSCOPY (2.29 Å)
主引用文献Modulating co-translational protein folding by rational design and ribosome engineering.
Nat Commun, 13, 2022
6XYC
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BU of 6xyc by Molmil
Truncated form of carbohydrate esterase from gut microbiota
分子名称: 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, Acetyl xylan esterase
著者Penttinen, L, Hakulinen, N, Master, E.
登録日2020-01-30
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Polysaccharide utilization loci-driven enzyme discovery reveals BD-FAE: a bifunctional feruloyl and acetyl xylan esterase active on complex natural xylans.
Biotechnol Biofuels, 14, 2021
6U7A
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BU of 6u7a by Molmil
Rv3722c in complex with kynurenine
分子名称: (2S)-4-(2-aminophenyl)-2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-oxobutanoic acid, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-hydroxyquinoline-2-carboxylic acid, ...
著者Mandyoli, L, Sacchettini, J.
登録日2019-09-01
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Aspartate aminotransferase Rv3722c governs aspartate-dependent nitrogen metabolism in Mycobacterium tuberculosis.
Nat Commun, 11, 2020
4WT8
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BU of 4wt8 by Molmil
Crystal Structure of bactobolin A bound to 70S ribosome-tRNA complex
分子名称: 23S rRNA (2899-MER), 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者Amunts, A, Fiedorczuk, K, Ramakrishnan, V.
登録日2014-10-29
公開日2015-01-21
最終更新日2018-07-18
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Bactobolin A Binds to a Site on the 70S Ribosome Distinct from Previously Seen Antibiotics.
J.Mol.Biol., 427, 2015
7MMD
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BU of 7mmd by Molmil
Crystal structure of HCV NS3/4A D168A protease in complex with JZ01-19
分子名称: 1,2-ETHANEDIOL, NS3/4A protease, SULFATE ION, ...
著者Zephyr, J, Schiffer, C.A.
登録日2021-04-29
公開日2022-08-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Deciphering the Molecular Mechanism of HCV Protease Inhibitor Fluorination as a General Approach to Avoid Drug Resistance.
J.Mol.Biol., 434, 2022
1OTX
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BU of 1otx by Molmil
Purine Nucleoside Phosphorylase M64V mutant
分子名称: PHOSPHATE ION, Purine nucleoside phosphorylase
著者Ealick, S.E, Bennett, E.M, Anand, R, Secrist, J.A, Parker, W.B, Hassan, A.E, Allan, P.W, McPherson, D.T, Sorscher, E.J.
登録日2003-03-23
公開日2004-02-17
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Designer gene therapy using an Escherichia coli purine nucleoside phosphorylase/prodrug system.
Chem.Biol., 10, 2003
2MHP
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BU of 2mhp by Molmil
Solution structure of the major factor VIII binding region on von Willebrand factor
分子名称: von Willebrand factor
著者Shiltagh, N, Kirkpatrick, J, Cabrita, L.D, McKinnon, T.A.J, Thalassinos, K, Tuddenham, E.G.D, Hansen, D.F.
登録日2013-12-02
公開日2014-05-14
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Solution structure of the major factor VIII binding region on von Willebrand factor.
Blood, 123, 2014
1OTY
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BU of 1oty by Molmil
Native PNP +ALLO
分子名称: 6-METHYLPURINE, PHOSPHATE ION, Purine nucleoside phosphorylase
著者Ealick, S.E, Bennett, E.M, Anand, R, Secrist, J.A, Parker, W.B, Hassan, A.E, Allan, P.W, McPherson, D.T, Sorscher, E.J.
登録日2003-03-23
公開日2004-02-17
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Designer gene therapy using an Escherichia coli purine nucleoside phosphorylase/prodrug system.
Chem.Biol., 10, 2003

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件を2024-07-10に公開中

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