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6CIK
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BU of 6cik by Molmil
Pre-Reaction Complex, RAG1(E962Q)/2-intact/nicked 12/23RSS complex in Mn2+
分子名称: DNA (5'-D(*AP*TP*CP*TP*GP*GP*CP*CP*TP*GP*TP*CP*TP*TP*A)-3'), High mobility group protein B1, Intact 12RSS substrate forward strand, ...
著者Chuenchor, W, Chen, X, Kim, M.S, Gellert, M, Yang, W.
登録日2018-02-24
公開日2018-04-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Cracking the DNA Code for V(D)J Recombination.
Mol. Cell, 70, 2018
3K3P
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BU of 3k3p by Molmil
Crystal Structure of the Apo Form of D-Alanine:D-Alanine Ligase (DDl) from Streptococcus mutans
分子名称: D-alanine--D-alanine ligase
著者Lu, Y.
登録日2009-10-03
公開日2010-09-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Crystal structure of the Apo form of D-Alanine:D-Alanine ligase (DDl) from Streptococcus mutans.
Protein Pept.Lett., 17, 2010
5D6P
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BU of 5d6p by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ethyl-3-[4-(hydroxymethyl)-5-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]urea, DNA gyrase subunit B, ...
著者Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C.
登録日2015-08-12
公開日2015-11-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors.
J.Med.Chem., 58, 2015
5D7C
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BU of 5d7c by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ethyl-3-[1-(pyridin-2-yl)-6-(pyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]urea, DNA gyrase subunit B, ...
著者Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C.
登録日2015-08-13
公開日2015-11-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors.
J.Med.Chem., 58, 2015
6K10
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BU of 6k10 by Molmil
Non substrate bound state of Staphylococcus Aureus AldH
分子名称: 1,2-ETHANEDIOL, Aldehyde dehydrogenase
著者Zhang, Z, Tao, X.
登録日2019-05-08
公開日2020-05-20
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.78962183 Å)
主引用文献Structural Insight into the Substrate Gating Mechanism by Staphylococcus aureus Aldehyde Dehydrogenase
CCS Chemistry, 2, 2020
5UY1
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BU of 5uy1 by Molmil
X-ray crystal structure of apo Halotag
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Haloalkane dehalogenase
著者Dunham, N.P, Boal, A.K.
登録日2017-02-23
公開日2017-03-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献The Cation-pi Interaction Enables a Halo-Tag Fluorogenic Probe for Fast No-Wash Live Cell Imaging and Gel-Free Protein Quantification.
Biochemistry, 56, 2017
6BLW
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BU of 6blw by Molmil
Zinc finger Domain of WT1(+KTS form) with M342R Mutation and 17+1mer Oligonucleotide with Triplet GGT
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*TP*AP*AP*CP*CP*CP*TP*CP*CP*CP*AP*TP*TP*TP*CP*GP*C)-3'), DNA (5'-D(P*GP*CP*GP*AP*AP*AP*TP*GP*GP*GP*AP*GP*GP*GP*TP*T)-3'), ...
著者Horton, J.R, Cheng, X.
登録日2017-11-11
公開日2018-01-03
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.835 Å)
主引用文献Role for first zinc finger of WT1 in DNA sequence specificity: Denys-Drash syndrome-associated WT1 mutant in ZF1 enhances affinity for a subset of WT1 binding sites.
Nucleic Acids Res., 46, 2018
5TJ7
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BU of 5tj7 by Molmil
Structure of WWP2 WW2-2,3-linker-HECT aa 334-398 linked to 485-865
分子名称: CHLORIDE ION, NEDD4-like E3 ubiquitin-protein ligase WWP2, SODIUM ION, ...
著者Chen, Z, Gabelli, S.B.
登録日2016-10-03
公開日2017-05-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A Tunable Brake for HECT Ubiquitin Ligases.
Mol. Cell, 66, 2017
5TJQ
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BU of 5tjq by Molmil
Structure of WWP2 2,3-linker-HECT
分子名称: NEDD4-like E3 ubiquitin-protein ligase WWP2,NEDD4-like E3 ubiquitin-protein ligase WWP2
著者Chen, Z, Gabelli, S.B.
登録日2016-10-04
公開日2017-05-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献A Tunable Brake for HECT Ubiquitin Ligases.
Mol. Cell, 66, 2017
6K0Z
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BU of 6k0z by Molmil
Substrate bound state of Staphylococcus Aureus AldH
分子名称: 1,2-ETHANEDIOL, Aldehyde dehydrogenase, GLYCEROL
著者Zhang, Z, Tao, X.
登録日2019-05-08
公開日2020-05-20
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.4967258 Å)
主引用文献Structural Insight into the Substrate Gating Mechanism by Staphylococcus aureus Aldehyde Dehydrogenase
CCS Chemistry, 2, 2020
1PFM
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BU of 1pfm by Molmil
PF4-M2 CHIMERIC MUTANT WITH THE FIRST 10 N-TERMINAL RESIDUES OF R-PF4 REPLACED BY THE N-TERMINAL RESIDUES OF THE IL8 SEQUENCE. MODELS 1-15 OF A 27-MODEL SET.
分子名称: PF4-M2 CHIMERA
著者Mayo, K.H, Roongta, V, Ilyina, E, Milius, R, Barker, S, Quinlan, C, La Rosa, G, Daly, T.J.
登録日1995-07-18
公開日1996-01-29
最終更新日2021-11-03
実験手法SOLUTION NMR
主引用文献NMR solution structure of the 32-kDa platelet factor 4 ELR-motif N-terminal chimera: a symmetric tetramer.
Biochemistry, 34, 1995
1PFN
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BU of 1pfn by Molmil
PF4-M2 CHIMERIC MUTANT WITH THE FIRST 10 N-TERMINAL RESIDUES OF R-PF4 REPLACED BY THE N-TERMINAL RESIDUES OF THE IL8 SEQUENCE. MODELS 16-27 OF A 27-MODEL SET.
分子名称: PF4-M2 CHIMERA
著者Mayo, K.H, Roongta, V, Ilyina, E, Milius, R, Barker, S, Quinlan, C, La Rosa, G, Daly, T.J.
登録日1995-07-18
公開日1996-01-29
最終更新日2021-11-03
実験手法SOLUTION NMR
主引用文献NMR solution structure of the 32-kDa platelet factor 4 ELR-motif N-terminal chimera: a symmetric tetramer.
Biochemistry, 34, 1995
6CIM
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BU of 6cim by Molmil
Pre-Reaction Complex, RAG1(E962Q)/2-nicked/intact 12/23RSS complex in Mn2+
分子名称: DNA (5'-D(*GP*CP*CP*TP*GP*TP*CP*TP*TP*A)-3'), High mobility group protein B1, Intact 23RSS substrate forward strand, ...
著者Chuenchor, W, Chen, X, Kim, M.S, Gellert, M, Yang, W.
登録日2018-02-24
公開日2018-04-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Cracking the DNA Code for V(D)J Recombination.
Mol. Cell, 70, 2018
4H42
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BU of 4h42 by Molmil
Synthesis of a Weak Basic uPA Inhibitor and Crystal Structure of Complex with uPA
分子名称: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, N-[(2-amino-1,3-benzothiazol-6-yl)carbonyl]glycine, Urokinase-type plasminogen activator
著者Yu, H.-Y, Gao, D, Zhang, X, Jiang, L.-G, Hong, Z.-B, Yuan, C, Fang, X, Wang, J.-D, Huang, M.-D.
登録日2012-09-14
公開日2013-10-30
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Synthesis of a Weak Basic uPA Inhibitor and Crystal Structure of Complex with uPA
CHIN.J.STRUCT.CHEM., 32, 2013
4JYU
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BU of 4jyu by Molmil
Structure of factor VIIA in complex with the inhibitor (2R)-2-[(1-AMINOISOQUINOLIN-6-YL)AMINO]-2-[3-ETHOXY-4-(PROPAN-2-YLOXY)PHENYL]-N-(PHENYLSULFONYL)ETHANAMIDE
分子名称: (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-(phenylsulfonyl)ethanamide, CALCIUM ION, Factor VII heavy chain, ...
著者Wei, A, Anumula, R.
登録日2013-04-01
公開日2013-07-24
最終更新日2013-09-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Nonbenzamidine acylsulfonamide tissue factor-factor VIIa inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4JYV
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BU of 4jyv by Molmil
Structure of factor VIIA in complex with the inhibitor (2R)-2-[3-ETHOXY-4-(PROPAN-2-YLOXY)PHENYL]-2-(ISOQUINOLIN-6-YLAMINO)-N-[(3-SULFAMOYLPHENYL)SULFONYL]ETHANAMIDE
分子名称: (2R)-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-2-(isoquinolin-6-ylamino)-N-[(3-sulfamoylphenyl)sulfonyl]ethanamide, CALCIUM ION, Factor VII heavy chain, ...
著者Wei, A, Anumula, R.
登録日2013-04-01
公開日2013-07-24
最終更新日2013-09-11
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Nonbenzamidine acylsulfonamide tissue factor-factor VIIa inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
5VNP
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BU of 5vnp by Molmil
X-ray crystal structure of Halotag bound to the P1 benzoxadiazole fluorogenic ligand
分子名称: CHLORIDE ION, Haloalkane dehalogenase, N-{2-[2-(hexyloxy)ethoxy]ethyl}-N~2~-methyl-N~2~-{[7-(methylamino)-2,1,3-benzoxadiazol-4-yl]sulfonyl}glycinamide
著者Dunham, N.P, Boal, A.K.
登録日2017-05-01
公開日2017-06-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献AgHalo: A Facile Fluorogenic Sensor to Detect Drug-Induced Proteome Stress.
Angew. Chem. Int. Ed. Engl., 56, 2017
2FHS
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BU of 2fhs by Molmil
Structure of Acyl Carrier Protein Bound to FabI, the Enoyl Reductase from Escherichia Coli
分子名称: Acyl carrier protein, enoyl-[acyl-carrier-protein] reductase, NADH-dependent
著者Kolappan, S, Novichenok, P, Rafi, S, Simmerling, C, Tonge, P.J, Kisker, C.
登録日2005-12-27
公開日2006-10-17
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of Acyl Carrier Protein Bound to FabI, the FASII Enoyl Reductase from Escherichia coli.
J.Biol.Chem., 281, 2006
2FDW
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BU of 2fdw by Molmil
Crystal Structure Of Human Microsomal P450 2A6 with the inhibitor (5-(Pyridin-3-yl)furan-2-yl)methanamine bound
分子名称: (5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE, Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE
著者Yano, J.K, Stout, C.D, Johnson, E.F.
登録日2005-12-14
公開日2006-11-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Synthetic Inhibitors of Cytochrome P-450 2A6: Inhibitory Activity, Difference Spectra, Mechanism of Inhibition, and Protein Cocrystallization.
J.Med.Chem., 49, 2006
2FDU
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BU of 2fdu by Molmil
Microsomal P450 2A6 with the inhibitor N,N-Dimethyl(5-(pyridin-3-yl)furan-2-yl)methanamine bound
分子名称: Cytochrome P450 2A6, N,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Yano, J.K, Stout, C.D, Johnson, E.F.
登録日2005-12-14
公開日2006-11-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Synthetic Inhibitors of Cytochrome P-450 2A6: Inhibitory Activity, Difference Spectra, Mechanism of Inhibition, and Protein Cocrystallization.
J.Med.Chem., 49, 2006
6AIB
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BU of 6aib by Molmil
Crystal structures of the N-terminal RecA-like domain 1 of Staphylococcus aureus DEAD-box Cold shock RNA helicase CshA
分子名称: DEAD-box ATP-dependent RNA helicase CshA
著者Chengliang, W, Tian, T, Xiaobao, C, Xuan, Z, Jianye, Z.
登録日2018-08-22
公開日2018-11-21
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structures of the N-terminal domain of the Staphylococcus aureus DEAD-box RNA helicase CshA and its complex with AMP
Acta Crystallogr F Struct Biol Commun, 74, 2018
6LQH
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BU of 6lqh by Molmil
High resolution architecture of curli complex
分子名称: Curli production assembly/transport component CsgF, Curli production assembly/transport component CsgG
著者Zhang, M, Shi, H, Huang, Y.
登録日2020-01-13
公開日2020-07-15
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.94 Å)
主引用文献Cryo-EM structure of the nonameric CsgG-CsgF complex and its implications for controlling curli biogenesis in Enterobacteriaceae.
Plos Biol., 18, 2020
6LQJ
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BU of 6lqj by Molmil
Low resolution architecture of curli complex
分子名称: Curli production assembly/transport component CsgF, Curli production assembly/transport component CsgG
著者Zhang, M, Shi, H, Huang, Y.
登録日2020-01-13
公開日2020-07-15
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.24 Å)
主引用文献Cryo-EM structure of the nonameric CsgG-CsgF complex and its implications for controlling curli biogenesis in Enterobacteriaceae.
Plos Biol., 18, 2020
6AIC
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BU of 6aic by Molmil
Crystal structures of the N-terminal domain of Staphylococcus aureus DEAD-box Cold shock RNA helicase CshA in complex with AMP
分子名称: ADENOSINE MONOPHOSPHATE, DEAD-box ATP-dependent RNA helicase CshA
著者Tian, T, Chengliang, W, Xiaobao, C, Xuan, Z, Jianye, Z.
登録日2018-08-22
公開日2018-11-21
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structures of the N-terminal domain of the Staphylococcus aureus DEAD-box RNA helicase CshA and its complex with AMP
Acta Crystallogr F Struct Biol Commun, 74, 2018
4TPP
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BU of 4tpp by Molmil
2-(3-alkoxy-1-azetidinyl) quinolines as novel PDE10A inhibitors
分子名称: 1-[4-(3-{[1-(quinolin-2-yl)azetidin-3-yl]oxy}quinoxalin-2-yl)piperidin-1-yl]ethanone, GLYCEROL, SULFATE ION, ...
著者Chmait, S.
登録日2014-06-09
公開日2014-12-17
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Synthesis and preliminary biological evaluation of potent and selective 2-(3-alkoxy-1-azetidinyl) quinolines as novel PDE10A inhibitors with improved solubility.
Bioorg.Med.Chem., 22, 2014

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