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2ASJ
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BU of 2asj by Molmil
oxoG-modified Preinsertion Binary Complex
分子名称: 5'-D(*CP*TP*AP*AP*CP*(8OG)*CP*TP*AP*CP*CP*AP*TP*CP*CP*AP*AP*CP*C)-3', 5'-D(*GP*GP*TP*TP*GP*GP*AP*TP*GP*GP*TP*AP*(DDG))-3', CALCIUM ION, ...
著者Rechkoblit, O, Malinina, L, Cheng, Y, Kuryavyi, V, Broyde, S, Geacintov, N.E, Patel, D.J.
登録日2005-08-23
公開日2006-01-10
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Stepwise Translocation of Dpo4 Polymerase during Error-Free Bypass of an oxoG Lesion
Plos Biol., 4, 2006
2ASD
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BU of 2asd by Molmil
oxoG-modified Insertion Ternary Complex
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 5'-D(*CP*T*AP*AP*CP*(8OG)P*CP*TP*AP*CP*CP*AP*TP*CP*CP*AP*AP*CP*C)-3', 5'-D(*GP*GP*TP*TP*GP*GP*AP*TP*GP*GP*TP*AP*(DDG))-3', ...
著者Rechkoblit, O, Malinina, L, Cheng, Y, Kuryavyi, V, Broyde, S, Geacintov, N.E, Patel, D.J.
登録日2005-08-23
公開日2006-01-10
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Stepwise Translocation of Dpo4 Polymerase during Error-Free Bypass of an oxoG Lesion
Plos Biol., 4, 2006
4BWG
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BU of 4bwg by Molmil
Structural basis of subtilase cytotoxin SubAB assembly
分子名称: GLYCEROL, SUBA, SUBTILASE CYTOTOXIN, ...
著者Le Nours, J, Paton, A.W, Byres, E, Troy, S, Herdman, B.P, Johnson, M.D, Paton, J.C, Rossjohn, J, Beddoe, T.
登録日2013-07-02
公開日2013-08-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Basis of Subtilase Cytotoxin Subab Assembly.
J.Biol.Chem., 288, 2013
4CBH
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BU of 4cbh by Molmil
Pestivirus NS3 helicase
分子名称: SERINE PROTEASE NS3
著者Tortorici, M.A, Duquerroy, S, Kwok, J, Vonrhein, C, Perez, J, Lamp, B, Bricogne, G, Rumenapf, T, Vachette, P, Rey, F.A.
登録日2013-10-14
公開日2015-01-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献X-Ray Structure of the Pestivirus Ns3 Helicase and its Conformation in Solution.
J.Virol., 89, 2015
4CBM
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BU of 4cbm by Molmil
Pestivirus NS3 helicase
分子名称: SERINE PROTEASE NS3
著者Tortorici, M.A, Duquerroy, S, Kwok, J, Vonrhein, C, Perez, J, Lamp, B, Bricogne, G, Rumenapf, T, Vachette, P, Rey, F.A.
登録日2013-10-14
公開日2015-01-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.27 Å)
主引用文献X-Ray Structure of the Pestivirus Ns3 Helicase and its Conformation in Solution.
J.Virol., 89, 2015
8EC3
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BU of 8ec3 by Molmil
The crystal structure of the complement inhibitory domain of Borrelia hermsii FbpC.
分子名称: Fibronectin-binding protein, MAGNESIUM ION
著者Booth, C.E, Garcia, B.L.
登録日2022-09-01
公開日2023-06-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Conformational dynamics of complement protease C1r inhibitor proteins from Lyme disease- and relapsing fever-causing spirochetes.
J.Biol.Chem., 299, 2023
4NCG
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BU of 4ncg by Molmil
Discovery of Doravirine, an orally bioavailable non-nucleoside reverse transcriptase inhibitor potent against a wide range of resistant mutant HIV viruses
分子名称: 3-chloro-5-({1-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl}oxy)benzonitrile, Reverse transcriptase/ribonuclease H, p51 RT
著者Yan, Y.
登録日2013-10-24
公開日2014-02-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Discovery of MK-1439, an orally bioavailable non-nucleoside reverse transcriptase inhibitor potent against a wide range of resistant mutant HIV viruses.
Bioorg.Med.Chem.Lett., 24, 2014
7RK8
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BU of 7rk8 by Molmil
Cryo-EM Structure of Adeno-Associated Virus Serotype 9 with Engineered Peptide Domain PHP.B (AAV9-PHP.B)
分子名称: Capsid protein VP1
著者Fluck, E.C, Pumroy, R.A, Moiseenkova-Bell, V.Y.
登録日2021-07-22
公開日2021-08-04
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.27 Å)
主引用文献Context-Specific Function of the Engineered Peptide Domain of PHP.B.
J.Virol., 95, 2021
7RK9
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BU of 7rk9 by Molmil
Cryo-EM Structure of Adeno-Associated Virus Serotype 1 with Engineered Peptide Domain PHP.B (AAV1-PHP.B)
分子名称: Capsid protein
著者Fluck, E.C, Pumroy, R.A, Moiseenkova-Bell, V.Y.
登録日2021-07-22
公開日2021-08-04
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.32 Å)
主引用文献Context-Specific Function of the Engineered Peptide Domain of PHP.B.
J.Virol., 95, 2021
7RA5
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BU of 7ra5 by Molmil
CDK2 IN COMPLEX WITH COMPOUND 4
分子名称: 4-[7-(methanesulfonyl)-1H-indol-3-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine, Cyclin-dependent kinase 2
著者Marineau, J.J, Malojcic, G.
登録日2021-06-30
公開日2021-11-03
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Discovery of SY-5609: A Selective, Noncovalent Inhibitor of CDK7.
J.Med.Chem., 65, 2022
7RRO
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BU of 7rro by Molmil
Structure of the 48-nm repeat doublet microtubule from bovine tracheal cilia
分子名称: Armadillo repeat containing 4, Chromosome 3 C1orf194 homolog, Cilia and flagella associated protein 161, ...
著者Gui, M, Anderson, J.R, Botsch, J.J, Meleppattu, S, Singh, S.K, Zhang, Q, Brown, A.
登録日2021-08-10
公開日2021-10-27
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献De novo identification of mammalian ciliary motility proteins using cryo-EM.
Cell, 184, 2021
4EWQ
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BU of 4ewq by Molmil
Human p38 alpha MAPK in complex with a pyridazine based inhibitor
分子名称: 3-phenyl-4-(pyridin-4-yl)-6-[4-(pyrimidin-2-yl)piperazin-1-yl]pyridazine, 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, ACETATE ION, ...
著者Grum-Tokars, V, Minasov, G, Roy, S, Schavocky, J, Winsor, J, Watterson, D.M, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-04-27
公開日2012-06-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A Selective and Brain Penetrant p38 alpha MAPK Inhibitor Candidate for Neurologic and Neuropsychiatric Disorders That Attenuates Neuroinflammation and Cognitive Dysfunction.
J.Med.Chem., 62, 2019
7VQH
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BU of 7vqh by Molmil
Solution NMR structure of Escherichia coli Total Lipid Extract Bicelle bound VR18 Antimicrobial Peptide
分子名称: VAL-ALA-ARG-GLY-TRP-GLY-ARG-LYS-CYS-PRO-LEU-PHE-GLY-LYS-ASN-LYS-SER-ARG (VR18)
著者Mohid, S.A, Bhunia, A.
登録日2021-10-20
公開日2022-01-12
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献A rationally designed synthetic antimicrobial peptide against Pseudomonas-associated corneal keratitis: Structure-function correlation.
Biophys.Chem., 286, 2022
7VQI
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BU of 7vqi by Molmil
Solution NMR structure of Pseudomonas aeruginosa Lipopolysaccharide (LPS) Bicelle bound VR18 Antimicrobial Peptide
分子名称: VAL-ALA-ARG-GLY-TRP-GLY-ARG-LYS-CYS-PRO-LEU-PHE-GLY-LYS-ASN-LYS-SER-ARG (VR18)
著者Mohid, S.A, Bhunia, A.
登録日2021-10-20
公開日2022-01-12
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献A rationally designed synthetic antimicrobial peptide against Pseudomonas-associated corneal keratitis: Structure-function correlation.
Biophys.Chem., 286, 2022
3A7N
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BU of 3a7n by Molmil
Crystal structure of uracil-DNA glycosylase from Mycobacterium tuberculosis
分子名称: CITRATE ANION, Uracil-DNA glycosylase
著者Kaushal, P.S, Talawar, R.K, Varshney, U, Vijayan, M.
登録日2009-09-29
公開日2010-08-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure of uracil-DNA glycosylase from Mycobacterium tuberculosis: insights into interactions with ligands
Acta Crystallogr.,Sect.F, 66, 2010
4XX4
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BU of 4xx4 by Molmil
Renin in complex with (4S)-4-isopropyl-4-methyl-6-oxo-1-(3-(2-oxo-4-phenylpyrrolidin-1-yl)benzyl)tetrahydropyrimidin-2(1H)-iminium
分子名称: (2Z,6S)-2-imino-6-methyl-3-{3-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]benzyl}-6-(propan-2-yl)tetrahydropyrimidin-4(1H)-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin
著者Orth, P.
登録日2015-01-29
公開日2015-02-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Iminopyrimidinones: a novel pharmacophore for the development of orally active renin inhibitors.
Bioorg. Med. Chem. Lett., 25, 2015
4XX3
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BU of 4xx3 by Molmil
Renin in complex with (S)-1-(3-(benzylcarbamoyl)benzyl)-4-isopropyl-4-methyl-6-oxotetrahydropyrimidin-2(1H)-iminium
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-benzyl-3-{[(2Z,4S)-2-imino-4-methyl-6-oxo-4-(propan-2-yl)tetrahydropyrimidin-1(2H)-yl]methyl}benzamide, Renin
著者Orth, P.
登録日2015-01-29
公開日2015-02-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Iminopyrimidinones: a novel pharmacophore for the development of orally active renin inhibitors.
Bioorg. Med. Chem. Lett., 25, 2015
2ZHX
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BU of 2zhx by Molmil
Crystal structure of Uracil-DNA Glycosylase from Mycobacterium tuberculosis in complex with a proteinaceous inhibitor
分子名称: Uracil-DNA glycosylase, Uracil-DNA glycosylase inhibitor
著者Kaushal, P.S, Talawar, R.K, Krishna, P.D.V, Varshney, U, Vijayan, M.
登録日2008-02-11
公開日2008-05-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Unique features of the structure and interactions of mycobacterial uracil-DNA glycosylase: structure of a complex of the Mycobacterium tuberculosis enzyme in comparison with those from other sources
Acta Crystallogr.,Sect.D, 64, 2008
8GJ9
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BU of 8gj9 by Molmil
RAD51C N-terminal domain
分子名称: RAD51C, ZINC ION
著者Arvai, A.S, Tainer, J.A, Williams, G.
登録日2023-03-15
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献RAD51C-XRCC3 structure and cancer patient mutations define DNA replication roles.
Nat Commun, 14, 2023
8GJA
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BU of 8gja by Molmil
RAD51C-XRCC3 structure
分子名称: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, RAD51C, ...
著者Arvai, A.S, Tainer, J.A, Williams, G, Longo, M.A.
登録日2023-03-15
公開日2023-08-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献RAD51C-XRCC3 structure and cancer patient mutations define DNA replication roles.
Nat Commun, 14, 2023
8GJ8
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BU of 8gj8 by Molmil
RAD51C C-terminal domain
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, RAD51C
著者Arvai, A.S, Tainer, J.A, Williams, G.
登録日2023-03-15
公開日2023-08-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献RAD51C-XRCC3 structure and cancer patient mutations define DNA replication roles.
Nat Commun, 14, 2023
4WS6
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BU of 4ws6 by Molmil
Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 5-aminouracil, Form I
分子名称: 1,2-ETHANEDIOL, 5-AMINO-1H-PYRIMIDINE-2,4-DIONE, CHLORIDE ION, ...
著者Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M.
登録日2014-10-25
公開日2015-07-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications.
Acta Crystallogr.,Sect.D, 71, 2015
8GOG
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BU of 8gog by Molmil
Structure of streptavidin mutant (S112Y-K121E) complexed with biotin-cyclopentadienyl-rhodium (III)(Cp*-Rh(III))
分子名称: CHLORIDE ION, GLYCEROL, RHODIUM(III) ION, ...
著者Sairaman, A, Mukherjee, P, Maiti, D, Bhaumik, P.
登録日2022-08-24
公開日2024-02-28
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Enantiodivergent synthesis of isoindolones catalysed by a Rh(III)-based artificial metalloenzyme
Nat Synth, 2024
4WRV
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BU of 4wrv by Molmil
Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with uracil, Form III
分子名称: CHLORIDE ION, URACIL, Uracil-DNA glycosylase
著者Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M.
登録日2014-10-25
公開日2015-07-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications.
Acta Crystallogr.,Sect.D, 71, 2015
4WRZ
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BU of 4wrz by Molmil
Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 5-fluorouracil (AB), Form I
分子名称: 5-FLUOROURACIL, CHLORIDE ION, CITRIC ACID, ...
著者Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M.
登録日2014-10-25
公開日2015-07-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.193 Å)
主引用文献Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications.
Acta Crystallogr.,Sect.D, 71, 2015

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