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5YK1
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BU of 5yk1 by Molmil
The complex structure of Rv3197-AMPPNP from Mycobacterium tuberculosis
分子名称: GLYCEROL, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Probable conserved ATP-binding protein ABC transporter, ...
著者Rao, Z.H, Zhang, Q.Q.
登録日2017-10-11
公開日2018-02-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.103 Å)
主引用文献Discovery of the first macrolide antibiotic binding protein in Mycobacterium tuberculosis: a new antibiotic resistance drug target.
Protein Cell, 9, 2018
5YK2
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BU of 5yk2 by Molmil
The complex structure of Rv3197-erythromycin from Mycobacterium tuberculosis
分子名称: ERYTHROMYCIN A, Probable conserved ATP-binding protein ABC transporter
著者Rao, Z.H, Zhang, Q.Q.
登録日2017-10-11
公開日2018-02-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.807 Å)
主引用文献Discovery of the first macrolide antibiotic binding protein in Mycobacterium tuberculosis: a new antibiotic resistance drug target.
Protein Cell, 9, 2018
5YK0
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BU of 5yk0 by Molmil
The complex structure of Rv3197-ADP from Mycobacterium tuberculosis
分子名称: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, Probable conserved ATP-binding protein ABC transporter, ...
著者Rao, Z.H, Zhang, Q.Q.
登録日2017-10-11
公開日2018-02-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.102 Å)
主引用文献Discovery of the first macrolide antibiotic binding protein in Mycobacterium tuberculosis: a new antibiotic resistance drug target.
Protein Cell, 9, 2018
6IMK
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BU of 6imk by Molmil
The crystal structure of AsfvLIG:CG complex
分子名称: DNA (5'-D(*CP*CP*AP*GP*TP*CP*CP*GP*AP*CP*CP*CP*GP*CP*AP*TP*CP*CP*CP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*GP*GP*GP*AP*TP*GP*CP*GP*G)-3'), DNA (5'-D(P*GP*TP*CP*GP*GP*AP*CP*TP*GP*G)-3'), ...
著者Chen, Y.Q, Gan, J.H.
登録日2018-10-23
公開日2019-02-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.502 Å)
主引用文献Structure of the error-prone DNA ligase of African swine fever virus identifies critical active site residues.
Nat Commun, 10, 2019
6IMN
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The crystal structure of AsfvLIG:CT2 complex
分子名称: CHLORIDE ION, DNA (5'-D(*CP*CP*AP*GP*TP*CP*CP*GP*AP*CP*CP*CP*GP*CP*AP*TP*CP*CP*CP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*GP*GP*GP*AP*TP*GP*CP*GP*TP*GP*TP*CP*GP*GP*AP*CP*TP*GP*G)-3'), ...
著者Chen, Y.Q, Gan, J.H.
登録日2018-10-23
公開日2019-02-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of the error-prone DNA ligase of African swine fever virus identifies critical active site residues.
Nat Commun, 10, 2019
6IML
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The crystal structure of AsfvLIG:CT1 complex
分子名称: DNA (5'-D(*CP*CP*AP*GP*TP*CP*CP*GP*AP*CP*CP*CP*GP*CP*AP*TP*CP*CP*CP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*GP*GP*GP*AP*TP*GP*CP*GP*T)-3'), DNA (5'-D(P*GP*TP*CP*GP*GP*AP*CP*TP*GP*G)-3'), ...
著者Chen, Y.Q, Gan, J.H.
登録日2018-10-23
公開日2019-02-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure of the error-prone DNA ligase of African swine fever virus identifies critical active site residues.
Nat Commun, 10, 2019
6IMJ
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BU of 6imj by Molmil
The crystal structure of Se-AsfvLIG:DNA complex
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CADMIUM ION, CHLORIDE ION, ...
著者Chen, Y.Q, Gan, J.H.
登録日2018-10-23
公開日2019-02-27
実験手法X-RAY DIFFRACTION (2.554 Å)
主引用文献Structure of the error-prone DNA ligase of African swine fever virus identifies critical active site residues.
Nat Commun, 10, 2019
6S3D
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BU of 6s3d by Molmil
Structure of D25 Fab in complex with scaffold S0_2.126
分子名称: Heavy Chain, Light Chain, S0_2.126
著者Cramer, J.T, Krey, T.
登録日2019-06-25
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献De novo protein design enables the precise induction of RSV-neutralizing antibodies.
Science, 368, 2020
5WSP
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BU of 5wsp by Molmil
Crystal structure of DNA3 duplex
分子名称: DNA (5'-D(*GP*GP*TP*CP*GP*TP*CP*C)-3'), STRONTIUM ION
著者Gan, J.H, Liu, H.H.
登録日2016-12-08
公開日2017-02-08
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.502 Å)
主引用文献Flexibility and stabilization of HgII-mediated C:T and T:T base pairs in DNA duplex
Nucleic Acids Res., 45, 2017
5WSR
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BU of 5wsr by Molmil
Crystal structure of T-Hg-T pair containing DNA duplex
分子名称: DNA (5'-D(*GP*GP*TP*CP*GP*TP*CP*C)-3'), MERCURY (II) ION
著者Gan, J.H, Liu, H.H.
登録日2016-12-08
公開日2017-02-08
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Flexibility and stabilization of HgII-mediated C:T and T:T base pairs in DNA duplex
Nucleic Acids Res., 45, 2017
5WSQ
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BU of 5wsq by Molmil
Crystal structure of C-Hg-T pair containing DNA duplex
分子名称: 1,3-PROPANDIOL, DNA (5'-D(*GP*CP*CP*CP*GP*TP*GP*C)-3'), MERCURY (II) ION
著者Gan, J.H, Liu, H.H.
登録日2016-12-08
公開日2017-02-08
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Flexibility and stabilization of HgII-mediated C:T and T:T base pairs in DNA duplex
Nucleic Acids Res., 45, 2017
5WSS
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BU of 5wss by Molmil
Crystal structure of T-Hg-T pair containing DNA duplex in the presence Ba2+
分子名称: BARIUM ION, DNA (5'-D(*GP*GP*TP*CP*GP*TP*CP*C)-3'), MERCURY (II) ION
著者Gan, J.H, Liu, H.H.
登録日2016-12-08
公開日2017-02-08
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Flexibility and stabilization of HgII-mediated C:T and T:T base pairs in DNA duplex
Nucleic Acids Res., 45, 2017
7UP2
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BU of 7up2 by Molmil
NDM1-inhibitor co-structure
分子名称: (2M)-4'-methyl-2-(2H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, ZINC ION
著者Scapin, G, Fischmann, T.O.
登録日2022-04-14
公開日2023-03-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Rapid Evolution of a Fragment-like Molecule to Pan-Metallo-Beta-Lactamase Inhibitors: Initial Leads toward Clinical Candidates.
J.Med.Chem., 65, 2022
7UP1
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BU of 7up1 by Molmil
NDM1-inhibitor co-structure
分子名称: (2M)-4'-methyl-2-(2H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, CADMIUM ION, Metallo beta-lactamase, ...
著者Scapin, G, Fischmann, T.O.
登録日2022-04-14
公開日2023-03-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.11 Å)
主引用文献Rapid Evolution of a Fragment-like Molecule to Pan-Metallo-Beta-Lactamase Inhibitors: Initial Leads toward Clinical Candidates.
J.Med.Chem., 65, 2022
7UP3
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BU of 7up3 by Molmil
NDM1-inhibitor co-structure
分子名称: (3P)-4-[4-(hydroxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CADMIUM ION, ...
著者Scapin, G, Fischmann, T.O.
登録日2022-04-14
公開日2023-03-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Rapid Evolution of a Fragment-like Molecule to Pan-Metallo-Beta-Lactamase Inhibitors: Initial Leads toward Clinical Candidates.
J.Med.Chem., 65, 2022
7UOX
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BU of 7uox by Molmil
NDM1-inhibitor co-structure
分子名称: (2M)-4'-(hydroxymethyl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-ol, ACETATE ION, CADMIUM ION, ...
著者Scapin, G, Fischmann, T.O.
登録日2022-04-14
公開日2023-03-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (0.99 Å)
主引用文献Rapid Evolution of a Fragment-like Molecule to Pan-Metallo-Beta-Lactamase Inhibitors: Initial Leads toward Clinical Candidates.
J.Med.Chem., 65, 2022
7UOY
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BU of 7uoy by Molmil
NDM1-inhibitor co-structure
分子名称: (6P)-4-amino-6-(2H-tetrazol-5-yl)benzene-1,3-disulfonamide, CADMIUM ION, Metallo beta-lactamase, ...
著者Scapin, G, Fischmann, T.O.
登録日2022-04-14
公開日2023-03-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Rapid Evolution of a Fragment-like Molecule to Pan-Metallo-Beta-Lactamase Inhibitors: Initial Leads toward Clinical Candidates.
J.Med.Chem., 65, 2022
5XSU
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BU of 5xsu by Molmil
novel orally efficacious inhibitors complexed with PARP1
分子名称: 6-fluoranyl-2-(4,5,6,7-tetrahydrofuro[2,3-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide, Poly [ADP-ribose] polymerase 1, SULFATE ION
著者Liu, Q, Xu, Y.
登録日2017-06-15
公開日2018-04-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Design and synthesis of 2-(4,5,6,7-tetrahydrothienopyridin-2-yl)-benzoimidazole carboxamides as novel orally efficacious Poly(ADP-ribose)polymerase (PARP) inhibitors
Eur J Med Chem, 145, 2018
5XST
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BU of 5xst by Molmil
novel orally efficacious inhibitors complexed with PARP1
分子名称: 6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide, Poly [ADP-ribose] polymerase 1, SULFATE ION
著者Liu, Q, Xu, Y.
登録日2017-06-15
公開日2018-04-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design and synthesis of 2-(4,5,6,7-tetrahydrothienopyridin-2-yl)-benzoimidazole carboxamides as novel orally efficacious Poly(ADP-ribose)polymerase (PARP) inhibitors
Eur J Med Chem, 145, 2018
5XSR
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BU of 5xsr by Molmil
novel orally efficacious inhibitors complexed with PARP1
分子名称: 6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide, Poly [ADP-ribose] polymerase 1, SULFATE ION
著者Liu, Q, Xu, Y.
登録日2017-06-15
公開日2018-04-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design and synthesis of 2-(4,5,6,7-tetrahydrothienopyridin-2-yl)-benzoimidazole carboxamides as novel orally efficacious Poly(ADP-ribose)polymerase (PARP) inhibitors
Eur J Med Chem, 145, 2018
6A6X
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BU of 6a6x by Molmil
The crystal structure of the Mtb MazE-MazF-mt9 complex
分子名称: Antitoxin MazE7, Probable endoribonuclease MazF7, SULFATE ION
著者Xie, W, Chen, R, Tu, J.
登録日2018-06-29
公開日2019-07-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural and Biochemical Characterization of the Cognate and Heterologous Interactions of the MazEF-mt9 TA System.
Acs Infect Dis., 5, 2019
5Z2N
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BU of 5z2n by Molmil
Structure of Orp1L N-terminal Domain
分子名称: Oxysterol-binding protein-related protein 1
著者Ma, X.L, Liu, K, Li, J, Li, H.H, Li, J, Yang, C.L, Liang, H.H.
登録日2018-01-03
公開日2018-08-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献A non-canonical GTPase interaction enables ORP1L-Rab7-RILP complex formation and late endosome positioning.
J. Biol. Chem., 293, 2018
5Z2M
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Structure of Orp1L/Rab7 complex
分子名称: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Oxysterol-binding protein-related protein 1, ...
著者Ma, X.L, Liu, K, Li, J, Li, H.H, Li, J, Yang, C.L, Liang, H.H.
登録日2018-01-03
公開日2018-08-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.142 Å)
主引用文献A non-canonical GTPase interaction enables ORP1L-Rab7-RILP complex formation and late endosome positioning.
J. Biol. Chem., 293, 2018
3AFQ
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BU of 3afq by Molmil
Crystal structure of the single-stranded DNA binding protein from Mycobacterium leprae (Form II)
分子名称: Single-stranded DNA-binding protein
著者Kaushal, P.S, Singh, P, Sharma, A, Muniyappa, K, Vijayan, M.
登録日2010-03-10
公開日2010-10-06
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献X-ray and molecular-dynamics studies on Mycobacterium leprae single-stranded DNA-binding protein and comparison with other eubacterial SSB structures
Acta Crystallogr.,Sect.D, 66, 2010
3AFP
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Crystal structure of the single-stranded DNA binding protein from Mycobacterium leprae (Form I)
分子名称: CADMIUM ION, GLYCEROL, Single-stranded DNA-binding protein
著者Kaushal, P.S, Singh, P, Sharma, A, Muniyappa, K, Vijayan, M.
登録日2010-03-10
公開日2010-10-06
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献X-ray and molecular-dynamics studies on Mycobacterium leprae single-stranded DNA-binding protein and comparison with other eubacterial SSB structures
Acta Crystallogr.,Sect.D, 66, 2010

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件を2024-05-29に公開中

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