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7PZV
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BU of 7pzv by Molmil
LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
分子名称: (2S,4S)-N-[(3R,5R)-1-cyclopropylcarbonyl-5-[[[4-[2-[4-[(1S)-2-methoxy-1-oxidanyl-ethyl]phenyl]ethynyl]phenyl]carbonylamino]methyl]pyrrolidin-3-yl]-4-fluoranyl-pyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
著者Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M.
登録日2021-10-13
公開日2022-11-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
To Be Published
7PZU
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BU of 7pzu by Molmil
LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
分子名称: (2S,4S)-N-((3R,5R)-1-(cyclopropanecarbonyl)-5-((3-fluoro-4-((4-(morpholinomethyl)phenyl)ethynyl)benzamido)methyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
著者Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M.
登録日2021-10-13
公開日2022-11-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
To Be Published
7Q01
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BU of 7q01 by Molmil
LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
分子名称: (2S,4S)-N-((3R,5R)-1-(cyclopropanecarbonyl)-5-((4-(((1R,2R)-2-(methoxymethyl)cyclopropyl)buta-1,3-diyn-1-yl)benzamido)methyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
著者Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M.
登録日2021-10-13
公開日2022-11-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
To Be Published
7PZX
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BU of 7pzx by Molmil
LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
分子名称: (2S,4S)-N-((3R,5R)-1-(cyclopropanecarbonyl)-5-((4-((4-((S)-2-hydroxy-1-methoxyethyl)phenyl)ethynyl)benzamido)methyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
著者Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M.
登録日2021-10-13
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
To Be Published
5MES
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BU of 5mes by Molmil
MCL1 FAB COMPLEX IN COMPLEX WITH COMPOUND 29
分子名称: (5~{R},13~{S},17~{S})-5-[[4-chloranyl-3-(2-phenylethyl)phenyl]methyl]-13-[(4-chlorophenyl)methyl]-8-methyl-1,4,8,12,16-pentazatricyclo[15.8.1.0^{20,25}]hexacosa-20(25),21,23-triene-3,7,15,26-tetrone, Heavy Chain, Induced myeloid leukemia cell differentiation protein Mcl-1 homolog,Induced myeloid leukemia cell differentiation protein Mcl-1, ...
著者Hargreaves, D.
登録日2016-11-16
公開日2017-01-18
最終更新日2017-03-08
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl-1 Inhibitors.
ACS Med Chem Lett, 8, 2017
8BVO
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BU of 8bvo by Molmil
Titin I110-I111 FnIII tandem from the MIR region (I/A5-I/A6)
分子名称: Titin
著者Mayans, O, Fleming, J.R, Williams, R.
登録日2022-12-05
公開日2023-02-15
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Immunological and Structural Characterization of Titin Main Immunogenic Region; I110 Domain Is the Target of Titin Antibodies in Myasthenia Gravis.
Biomedicines, 11, 2023
8BXR
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BU of 8bxr by Molmil
Titin FnIII-domain I109-I111 (I/A4-A/A6) from the MIR region
分子名称: 1,2-ETHANEDIOL, Titin
著者Mayans, O, Fleming, J.R, Williams, R.
登録日2022-12-09
公開日2023-02-15
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Immunological and Structural Characterization of Titin Main Immunogenic Region; I110 Domain Is the Target of Titin Antibodies in Myasthenia Gravis.
Biomedicines, 11, 2023
8BW6
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BU of 8bw6 by Molmil
Titin FnIII-domain I110 (I/A6) from the MIR region
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Mayans, O, Fleming, J.R.
登録日2022-12-06
公開日2023-02-15
最終更新日2023-03-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Immunological and Structural Characterization of Titin Main Immunogenic Region; I110 Domain Is the Target of Titin Antibodies in Myasthenia Gravis.
Biomedicines, 11, 2023
2RRA
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BU of 2rra by Molmil
Solution structure of RNA binding domain in human Tra2 beta protein in complex with RNA (GAAGAA)
分子名称: 5'-R(*GP*AP*AP*GP*AP*A)-3', cDNA FLJ40872 fis, clone TUTER2000283, ...
著者Tsuda, K, Kuwasako, K, Takahashi, M, Someya, T, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Sugano, S, Muto, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2010-06-17
公開日2011-04-27
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural basis for the dual RNA-recognition modes of human Tra2-beta RRM.
Nucleic Acids Res., 39, 2011
5JDD
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BU of 5jdd by Molmil
Crystal structure of I9-I11 tandem from titin (P212121)
分子名称: Titin
著者Williams, R, Bogomolovas, J, Labiet, S, Mayans, O.
登録日2016-04-16
公開日2016-09-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Exploration of pathomechanisms triggered by a single-nucleotide polymorphism in titin's I-band: the cardiomyopathy-linked mutation T2580I.
Open Biology, 6, 2016
5JDJ
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BU of 5jdj by Molmil
Crystal structure of domain I10 from titin in space group P212121
分子名称: CALCIUM ION, Titin
著者Williams, R, Bogomolovas, J, Labiet, S, Mayans, O.
登録日2016-04-16
公開日2016-08-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.738 Å)
主引用文献Exploration of pathomechanisms triggered by a single-nucleotide polymorphism in titin's I-band: the cardiomyopathy-linked mutation T2580I.
Open Biology, 6, 2016
1B99
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BU of 1b99 by Molmil
3'-FLUORO-URIDINE DIPHOSPHATE BINDING TO NUCLEOSIDE DIPHOSPHATE KINASE
分子名称: 2',3'-DIDEOXY-3'-FLUORO-URIDIDINE-5'-DIPHOSPHATE, PROTEIN (NUCLEOSIDE DIPHOSPHATE KINASE), PYROPHOSPHATE 2-
著者Janin, J, Xu, Y.
登録日1999-02-22
公開日1999-06-28
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Catalytic mechanism of nucleoside diphosphate kinase investigated using nucleotide analogues, viscosity effects, and X-ray crystallography.
Biochemistry, 38, 1999
2RRB
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BU of 2rrb by Molmil
Refinement of RNA binding domain in human Tra2 beta protein
分子名称: cDNA FLJ40872 fis, clone TUTER2000283, highly similar to Homo sapiens transformer-2-beta (SFRS10) gene
著者Tsuda, K, Kuwasako, K, Takahashi, M, Someya, T, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Sugano, S, Muto, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2010-06-17
公開日2011-04-27
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural basis for the dual RNA-recognition modes of human Tra2-beta RRM.
Nucleic Acids Res., 39, 2011
5MEV
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BU of 5mev by Molmil
MCL1 FAB COMPLEX IN COMPLEX WITH COMPOUND 21
分子名称: (5~{R},13~{S},17~{S})-5-[(3,4-dichlorophenyl)methyl]-8-methyl-13-[(4-methylsulfonylphenyl)methyl]-1,4,8,12,16-pentazatricyclo[15.8.1.0^{20,25}]hexacosa-20,22,24-triene-3,7,15,26-tetrone, Fab Heavy Chain, Fab Light Chain, ...
著者Hargreaves, D.
登録日2016-11-16
公開日2017-01-18
最終更新日2017-03-08
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl-1 Inhibitors
Acs Med.Chem.Lett., 8, 2017
8HUB
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BU of 8hub by Molmil
AMP deaminase 2 in complex with an inhibitor
分子名称: 3,3-dimethyl-4-(phenylmethyl)-2~{H}-quinoxaline-1-carboxamide, AMP deaminase 2, ZINC ION
著者Adachi, T, Doi, S.
登録日2022-12-23
公開日2023-01-18
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献The discovery of 3,3-dimethyl-1,2,3,4-tetrahydroquinoxaline-1-carboxamides as AMPD2 inhibitors with a novel mechanism of action.
Bioorg.Med.Chem.Lett., 80, 2023
8HU6
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BU of 8hu6 by Molmil
AMP deaminase 2 in complex with AMP
分子名称: ADENOSINE MONOPHOSPHATE, AMP deaminase 2, SULFATE ION, ...
著者Adachi, T, Doi, S.
登録日2022-12-22
公開日2023-01-18
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献The discovery of 3,3-dimethyl-1,2,3,4-tetrahydroquinoxaline-1-carboxamides as AMPD2 inhibitors with a novel mechanism of action.
Bioorg.Med.Chem.Lett., 80, 2023
3K5D
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BU of 3k5d by Molmil
Crystal Structure of BACE-1 in complex with AHM178
分子名称: Beta-secretase 1, N-acetyl-L-leucyl-N-[(4S,5S,7R)-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctan-4-yl]-L-methioninamide
著者Rondeau, J.-M.
登録日2009-10-07
公開日2010-05-05
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure-based design and synthesis of novel P2/P3 modified, non-peptidic beta-secretase (BACE-1) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3K5G
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BU of 3k5g by Molmil
Human bace-1 complex with bjc060
分子名称: (1R,3S)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(1-methylethyl)benzyl]amino}propyl]-3-[1-methyl-1-(2-oxopiperidin-1-yl)ethyl]cyclohexanecarboxamide, Beta-secretase 1
著者Rondeau, J.-M.
登録日2009-10-07
公開日2010-05-05
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based design and synthesis of novel P2/P3 modified, non-peptidic beta-secretase (BACE-1) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
2RV2
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BU of 2rv2 by Molmil
Solution structures of the DNA-binding domain (ZF14) of immune-related zinc-finger protein ZFAT
分子名称: ZINC ION, Zinc finger protein ZFAT
著者Tochio, N, Umehara, T, Kigawa, T, Yokoyama, S.
登録日2015-01-26
公開日2015-04-08
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution structures of the DNA-binding domains of immune-related zinc-finger protein ZFAT
J.Struct.Funct.Genom., 16, 2015
2RV6
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BU of 2rv6 by Molmil
Solution structures of the DNA-binding domains (ZF2-ZF3-ZF4) of immune-related zinc-finger protein ZFAT
分子名称: ZINC ION, Zinc finger protein ZFAT
著者Tochio, N, Umehara, T, Kigawa, T, Yokoyama, S.
登録日2015-01-26
公開日2015-04-08
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution structures of the DNA-binding domains of immune-related zinc-finger protein ZFAT
J.Struct.Funct.Genom., 16, 2015
2RUX
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BU of 2rux by Molmil
Solution structures of the DNA-binding domain (ZF6) of immune-related zinc-finger protein ZFAT
分子名称: ZINC ION, Zinc finger protein ZFAT
著者Tochio, N, Umehara, T, Kigawa, T, Yokoyama, S.
登録日2015-01-26
公開日2015-04-08
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution structures of the DNA-binding domains of immune-related zinc-finger protein ZFAT
J.Struct.Funct.Genom., 16, 2015
2RV4
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BU of 2rv4 by Molmil
Solution structures of the DNA-binding domain (ZF5) of mouse immune-related zinc-finger protein ZFAT
分子名称: ZINC ION, Zinc finger protein ZFAT
著者Tochio, N, Umehara, T, Kigawa, T, Yokoyama, S.
登録日2015-01-26
公開日2015-04-08
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution structures of the DNA-binding domains of immune-related zinc-finger protein ZFAT
J.Struct.Funct.Genom., 16, 2015
3K5F
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BU of 3k5f by Molmil
Human BACE-1 COMPLEX WITH AYH011
分子名称: (1R,3S)-3-[1-(acetylamino)-1-methylethyl]-N-[(1S,2S,4R)-1-benzyl-5-(butylamino)-2-hydroxy-4-methyl-5-oxopentyl]cyclohexanecarboxamide, Beta-secretase 1
著者Rondeau, J.-M.
登録日2009-10-07
公開日2010-05-05
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure-based design and synthesis of novel P2/P3 modified, non-peptidic beta-secretase (BACE-1) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
2RV3
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BU of 2rv3 by Molmil
Solution structures of the DNA-binding domain (ZF15) of immune-related zinc-finger protein ZFAT
分子名称: ZINC ION, Zinc finger protein ZFAT
著者Tochio, N, Umehara, T, Kigawa, T, Yokoyama, S.
登録日2015-01-26
公開日2015-04-08
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution structures of the DNA-binding domains of immune-related zinc-finger protein ZFAT
J.Struct.Funct.Genom., 16, 2015
2RUV
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BU of 2ruv by Molmil
Solution structures of the DNA-binding domain (ZF4) of immune-related zinc-finger protein ZFAT
分子名称: ZINC ION, Zinc finger protein ZFAT
著者Tochio, N, Umehara, T, Kigawa, T, Yokoyama, S.
登録日2015-01-26
公開日2015-04-08
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution structures of the DNA-binding domains of immune-related zinc-finger protein ZFAT
J.Struct.Funct.Genom., 16, 2015

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