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6L01
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BU of 6l01 by Molmil
Crystal structure of E.coli DNA gyrase B in complex with 2-oxo-1,2-dihydroquinoline derivative
分子名称: 2-[3-[[8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]phenyl]ethanoic acid, DNA gyrase subunit B
著者Mima, M, Takeuchi, T, Ushiyama, F.
登録日2019-09-25
公開日2020-05-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Lead Identification of 8-(Methylamino)-2-oxo-1,2-dihydroquinoline Derivatives as DNA Gyrase Inhibitors: Hit-to-Lead Generation Involving Thermodynamic Evaluation.
Acs Omega, 5, 2020
3SZ4
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BU of 3sz4 by Molmil
Crystal Structure of LHK-Exo in complex with dAMP
分子名称: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, Exonuclease, MAGNESIUM ION
著者Yang, W, Chen, W.Y, Wang, H, Zhang, Q, Zhou, W, Bartlam, M, Watt, R.M, Rao, Z.
登録日2011-07-18
公開日2012-02-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Structural and functional insight into the mechanism of an alkaline exonuclease from Laribacter hongkongensis.
Nucleic Acids Res., 39, 2011
5CFT
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BU of 5cft by Molmil
Crystal Structure of ANT(2")-Ia in complex with AMPCPP and gentamicin C1
分子名称: Aminoglycoside Nucleotidyltransferase (2")-Ia, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, HEXAETHYLENE GLYCOL, ...
著者Rodionov, D, Bassenden, A.V, Berghuis, A.M.
登録日2015-07-08
公開日2016-03-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural Analysis of the Tobramycin and Gentamicin Clinical Resistome Reveals Limitations for Next-generation Aminoglycoside Design.
Acs Chem.Biol., 11, 2016
3RXM
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BU of 3rxm by Molmil
Crystal structure of Trypsin complexed with [2-(2-thienyl)thiazol-4-yl]methanamine
分子名称: 1-[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methanamine, CALCIUM ION, Cationic trypsin, ...
著者Yamane, J, Yao, M, Zhou, Y, Tanaka, I.
登録日2011-05-10
公開日2011-08-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
6YLN
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BU of 6yln by Molmil
mTurquoise2 SG P212121 - Directional optical properties of fluorescent proteins
分子名称: EGFP, POTASSIUM ION
著者Myskova, J, Rybakova, O, Brynda, J, Lazar, J.
登録日2020-04-07
公開日2020-12-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Directionality of light absorption and emission in representative fluorescent proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020
6YLU
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BU of 6ylu by Molmil
14-3-3sigma in complex with BLNKpT152 phosphopeptide crystal structure
分子名称: 14-3-3 protein sigma, BLNKpT152, MAGNESIUM ION
著者Soini, L, Leysen, S, Davis, J, Ottmann, C.
登録日2020-04-07
公開日2020-12-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献14-3-3sigma in complex with BLNKpT152 phosphopeptide crystal structure
J.Struct.Biol., 2020
3RXH
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BU of 3rxh by Molmil
Crystal structure of Trypsin complexed with 2-(1H-imidazol-4-yl)ethanamine
分子名称: CALCIUM ION, Cationic trypsin, DIMETHYL SULFOXIDE, ...
著者Yamane, J, Yao, M, Zhou, Y, Tanaka, I.
登録日2011-05-10
公開日2011-08-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
3S1S
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BU of 3s1s by Molmil
Characterization and crystal structure of the type IIG restriction endonuclease BpuSI
分子名称: 1,2-ETHANEDIOL, IODIDE ION, MANGANESE (II) ION, ...
著者Shen, B.W, Xu, D, Chan, S.-H, Zheng, Y, Zhu, Y, Xu, S.-Y, Stoddard, B.L.
登録日2011-05-16
公開日2011-07-13
最終更新日2011-10-19
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Characterization and crystal structure of the type IIG restriction endonuclease RM.BpuSI.
Nucleic Acids Res., 39, 2011
6L2L
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BU of 6l2l by Molmil
The structure of the tRNA-specific deaminase from M. capricolum
分子名称: Nucleoside deaminase family protein, ZINC ION
著者Xie, W, Liu, H, Wu, S.
登録日2019-10-05
公開日2020-08-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.40045834 Å)
主引用文献Structure of a tRNA-specific deaminase with compromised deamination activity.
Biochem.J., 477, 2020
3RTP
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BU of 3rtp by Molmil
Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration
分子名称: Mitogen-activated protein kinase 10, N-[4-cyano-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)acetamide
著者Bowers, S, Truong, A.P, Neitz, R.J, Hom, R.K, Sealy, J.M, Probst, G.D, Quincy, Q, Peterson, B, Chan, W, Galemmo Jr, R.A, Konradi, A.W, Sham, H.L, Pan, H, Lin, M, Yao, N, Artis, D.R, Zhang, H, Chen, L, Dryer, M, Samant, B, Zmolek, W, Wong, K, Lorentzen, C, Goldbach, E, Tonn, G, Quinn, K.P, Sauer, J, Wright, S, Powell, K, Ruslim, L, Ren, Z, Bard, F, Yednock, T.A, Griswold-Prenne, I.
登録日2011-05-03
公開日2013-05-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration.
Bioorg.Med.Chem.Lett., 21, 2011
3RXF
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BU of 3rxf by Molmil
Crystal structure of Trypsin complexed with 4-aminopyridine
分子名称: 4-AMINOPYRIDINE, CALCIUM ION, Cationic trypsin, ...
著者Yamane, J, Yao, M, Zhou, Y, Tanaka, I.
登録日2011-05-10
公開日2011-08-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
3RXG
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BU of 3rxg by Molmil
Crystal structure of Trypsin complexed with 4-aminocyclohexanol
分子名称: CALCIUM ION, Cationic trypsin, DIMETHYL SULFOXIDE, ...
著者Yamane, J, Yao, M, Zhou, Y, Tanaka, I.
登録日2011-05-10
公開日2011-08-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
3RXT
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BU of 3rxt by Molmil
Crystal structure of Trypsin complexed with (3-methoxyphenyl)methanamin (F04 and F03, cocktail experiment)
分子名称: 1-(3-methoxyphenyl)methanamine, CALCIUM ION, Cationic trypsin, ...
著者Yamane, J, Yao, M, Zhou, Y, Tanaka, I.
登録日2011-05-10
公開日2011-08-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
3RXC
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BU of 3rxc by Molmil
Crystal structure of Trypsin complexed with 2-aminopyridine
分子名称: 2-AMINOPYRIDINE, CALCIUM ION, Cationic trypsin, ...
著者Yamane, J, Yao, M, Zhou, Y, Tanaka, I.
登録日2011-05-10
公開日2011-08-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
3RXQ
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BU of 3rxq by Molmil
Crystal structure of Trypsin complexed with benzamide (F01 and F05, cocktail experiment)
分子名称: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
著者Yamane, J, Yao, M, Zhou, Y, Tanaka, I.
登録日2011-05-10
公開日2011-08-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
6KZV
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BU of 6kzv by Molmil
Crystal structure of E.coli DNA gyrase B in complex with 2-oxo-1,2-dihydroquinoline derivative
分子名称: DNA gyrase subunit B, ~{N}-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-oxidanylidene-1~{H}-quinoline-3-carboxamide
著者Mima, M, Ushiyama, F.
登録日2019-09-25
公開日2020-05-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Lead Identification of 8-(Methylamino)-2-oxo-1,2-dihydroquinoline Derivatives as DNA Gyrase Inhibitors: Hit-to-Lead Generation Involving Thermodynamic Evaluation.
Acs Omega, 5, 2020
6L13
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BU of 6l13 by Molmil
Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives
分子名称: 2-chloranyl-10-(2-piperidin-4-ylethyl)phenoxazine, Serine/threonine-protein kinase pim-1
著者Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y.
登録日2019-09-27
公開日2020-05-27
最終更新日2020-07-08
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors.
J.Chem.Inf.Model., 60, 2020
3RXJ
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BU of 3rxj by Molmil
Crystal structure of Trypsin complexed with 4-guanidinobenzoic acid
分子名称: 4-carbamimidamidobenzoic acid, CALCIUM ION, Cationic trypsin, ...
著者Yamane, J, Yao, M, Zhou, Y, Tanaka, I.
登録日2011-05-10
公開日2011-08-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
3RXU
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BU of 3rxu by Molmil
Crystal structure of Trypsin complexed with benzamide (F05 and A06, cocktail experiment)
分子名称: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
著者Yamane, J, Yao, M, Zhou, Y, Tanaka, I.
登録日2011-05-10
公開日2011-08-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
6KZZ
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BU of 6kzz by Molmil
Crystal structure of E.coli DNA gyrase B in complex with 2-oxo-1,2-dihydroquinoline derivative
分子名称: 4-[[8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid, DNA gyrase subunit B
著者Mima, M, Takeuchi, T, Ushiyama, F.
登録日2019-09-25
公開日2020-05-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Lead Identification of 8-(Methylamino)-2-oxo-1,2-dihydroquinoline Derivatives as DNA Gyrase Inhibitors: Hit-to-Lead Generation Involving Thermodynamic Evaluation.
Acs Omega, 5, 2020
3RXO
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BU of 3rxo by Molmil
Crystal structure of Trypsin complexed with (3-pyrrol-1-ylphenyl)methanamine
分子名称: 1-[3-(1H-pyrrol-1-yl)phenyl]methanamine, CALCIUM ION, Cationic trypsin, ...
著者Yamane, J, Yao, M, Zhou, Y, Tanaka, I.
登録日2011-05-10
公開日2011-08-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
3RXI
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BU of 3rxi by Molmil
Crystal structure of Trypsin complexed with 2-(1H-indol-3-yl)ethanamine
分子名称: 2-(1H-INDOL-3-YL)ETHANAMINE, CALCIUM ION, Cationic trypsin, ...
著者Yamane, J, Yao, M, Zhou, Y, Tanaka, I.
登録日2011-05-10
公開日2011-08-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
6L5A
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BU of 6l5a by Molmil
The structure of the UdgX mutant H109E at a pre-excision state
分子名称: GLYCEROL, IRON/SULFUR CLUSTER, Uracil DNA glycosylase superfamily protein
著者Xie, W, Tu, J, Zeng, H.
登録日2019-10-22
公開日2020-10-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.80007327 Å)
主引用文献Structural insights into an MsmUdgX mutant capable of both crosslinking and uracil excision capability.
DNA Repair (Amst), 97, 2021
6L64
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BU of 6l64 by Molmil
X-ray structure of human galectin-10 in complex with D-glucose
分子名称: Galectin-10, beta-D-glucopyranose
著者Kamitori, S.
登録日2019-10-28
公開日2020-03-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Structures of human galectin-10/monosaccharide complexes demonstrate potential of monosaccharides as effectors in forming Charcot-Leyden crystals.
Biochem.Biophys.Res.Commun., 2020
6YOY
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BU of 6yoy by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-025
分子名称: 14-3-3 protein sigma, 5-methyl-2-nitrophenol, CHLORIDE ION, ...
著者Wolter, M, Ottmann, C.
登録日2020-04-15
公開日2020-09-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fragment-Based Stabilizers of Protein-Protein Interactions through Imine-Based Tethering.
Angew.Chem.Int.Ed.Engl., 59, 2020

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