6L01
 
 | | Crystal structure of E.coli DNA gyrase B in complex with 2-oxo-1,2-dihydroquinoline derivative | | Descriptor: | 2-[3-[[8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]phenyl]ethanoic acid, DNA gyrase subunit B | | Authors: | Mima, M, Takeuchi, T, Ushiyama, F. | | Deposit date: | 2019-09-25 | | Release date: | 2020-05-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | 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
 | | Crystal Structure of LHK-Exo in complex with dAMP | | Descriptor: | 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, Exonuclease, MAGNESIUM ION | | Authors: | Yang, W, Chen, W.Y, Wang, H, Zhang, Q, Zhou, W, Bartlam, M, Watt, R.M, Rao, Z. | | Deposit date: | 2011-07-18 | | Release date: | 2012-02-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Structural and functional insight into the mechanism of an alkaline exonuclease from Laribacter hongkongensis.
Nucleic Acids Res., 39, 2011
|
|
5CFT
 | | Crystal Structure of ANT(2")-Ia in complex with AMPCPP and gentamicin C1 | | Descriptor: | Aminoglycoside Nucleotidyltransferase (2")-Ia, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, HEXAETHYLENE GLYCOL, ... | | Authors: | Rodionov, D, Bassenden, A.V, Berghuis, A.M. | | Deposit date: | 2015-07-08 | | Release date: | 2016-03-16 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural Analysis of the Tobramycin and Gentamicin Clinical Resistome Reveals Limitations for Next-generation Aminoglycoside Design.
Acs Chem.Biol., 11, 2016
|
|
3RXM
 | | Crystal structure of Trypsin complexed with [2-(2-thienyl)thiazol-4-yl]methanamine | | Descriptor: | 1-[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methanamine, CALCIUM ION, Cationic trypsin, ... | | Authors: | Yamane, J, Yao, M, Zhou, Y, Tanaka, I. | | Deposit date: | 2011-05-10 | | Release date: | 2011-08-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
|
|
6YLN
 | | mTurquoise2 SG P212121 - Directional optical properties of fluorescent proteins | | Descriptor: | EGFP, POTASSIUM ION | | Authors: | Myskova, J, Rybakova, O, Brynda, J, Lazar, J. | | Deposit date: | 2020-04-07 | | Release date: | 2020-12-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Directionality of light absorption and emission in representative fluorescent proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
6YLU
 | | 14-3-3sigma in complex with BLNKpT152 phosphopeptide crystal structure | | Descriptor: | 14-3-3 protein sigma, BLNKpT152, MAGNESIUM ION | | Authors: | Soini, L, Leysen, S, Davis, J, Ottmann, C. | | Deposit date: | 2020-04-07 | | Release date: | 2020-12-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | 14-3-3sigma in complex with BLNKpT152 phosphopeptide crystal structure
J.Struct.Biol., 2020
|
|
3RXH
 | | Crystal structure of Trypsin complexed with 2-(1H-imidazol-4-yl)ethanamine | | Descriptor: | CALCIUM ION, Cationic trypsin, DIMETHYL SULFOXIDE, ... | | Authors: | Yamane, J, Yao, M, Zhou, Y, Tanaka, I. | | Deposit date: | 2011-05-10 | | Release date: | 2011-08-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
|
|
3S1S
 | | Characterization and crystal structure of the type IIG restriction endonuclease BpuSI | | Descriptor: | 1,2-ETHANEDIOL, IODIDE ION, MANGANESE (II) ION, ... | | Authors: | Shen, B.W, Xu, D, Chan, S.-H, Zheng, Y, Zhu, Y, Xu, S.-Y, Stoddard, B.L. | | Deposit date: | 2011-05-16 | | Release date: | 2011-07-13 | | Last modified: | 2011-10-19 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Characterization and crystal structure of the type IIG restriction endonuclease RM.BpuSI.
Nucleic Acids Res., 39, 2011
|
|
6L2L
 | |
3RTP
 | | Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration | | Descriptor: | 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 | | Authors: | 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. | | Deposit date: | 2011-05-03 | | Release date: | 2013-05-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | 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
 | | Crystal structure of Trypsin complexed with 4-aminopyridine | | Descriptor: | 4-AMINOPYRIDINE, CALCIUM ION, Cationic trypsin, ... | | Authors: | Yamane, J, Yao, M, Zhou, Y, Tanaka, I. | | Deposit date: | 2011-05-10 | | Release date: | 2011-08-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
|
|
3RXG
 | | Crystal structure of Trypsin complexed with 4-aminocyclohexanol | | Descriptor: | CALCIUM ION, Cationic trypsin, DIMETHYL SULFOXIDE, ... | | Authors: | Yamane, J, Yao, M, Zhou, Y, Tanaka, I. | | Deposit date: | 2011-05-10 | | Release date: | 2011-08-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
|
|
3RXT
 | | Crystal structure of Trypsin complexed with (3-methoxyphenyl)methanamin (F04 and F03, cocktail experiment) | | Descriptor: | 1-(3-methoxyphenyl)methanamine, CALCIUM ION, Cationic trypsin, ... | | Authors: | Yamane, J, Yao, M, Zhou, Y, Tanaka, I. | | Deposit date: | 2011-05-10 | | Release date: | 2011-08-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
|
|
3RXC
 | | Crystal structure of Trypsin complexed with 2-aminopyridine | | Descriptor: | 2-AMINOPYRIDINE, CALCIUM ION, Cationic trypsin, ... | | Authors: | Yamane, J, Yao, M, Zhou, Y, Tanaka, I. | | Deposit date: | 2011-05-10 | | Release date: | 2011-08-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
|
|
3RXQ
 | | Crystal structure of Trypsin complexed with benzamide (F01 and F05, cocktail experiment) | | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | | Authors: | Yamane, J, Yao, M, Zhou, Y, Tanaka, I. | | Deposit date: | 2011-05-10 | | Release date: | 2011-08-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
|
|
6KZV
 | |
6L13
 | | Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives | | Descriptor: | 2-chloranyl-10-(2-piperidin-4-ylethyl)phenoxazine, Serine/threonine-protein kinase pim-1 | | Authors: | Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y. | | Deposit date: | 2019-09-27 | | Release date: | 2020-05-27 | | Last modified: | 2020-07-08 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors.
J.Chem.Inf.Model., 60, 2020
|
|
3RXJ
 | | Crystal structure of Trypsin complexed with 4-guanidinobenzoic acid | | Descriptor: | 4-carbamimidamidobenzoic acid, CALCIUM ION, Cationic trypsin, ... | | Authors: | Yamane, J, Yao, M, Zhou, Y, Tanaka, I. | | Deposit date: | 2011-05-10 | | Release date: | 2011-08-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
|
|
3RXU
 | | Crystal structure of Trypsin complexed with benzamide (F05 and A06, cocktail experiment) | | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | | Authors: | Yamane, J, Yao, M, Zhou, Y, Tanaka, I. | | Deposit date: | 2011-05-10 | | Release date: | 2011-08-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
|
|
6KZZ
 | | Crystal structure of E.coli DNA gyrase B in complex with 2-oxo-1,2-dihydroquinoline derivative | | Descriptor: | 4-[[8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid, DNA gyrase subunit B | | Authors: | Mima, M, Takeuchi, T, Ushiyama, F. | | Deposit date: | 2019-09-25 | | Release date: | 2020-05-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 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
 | | Crystal structure of Trypsin complexed with (3-pyrrol-1-ylphenyl)methanamine | | Descriptor: | 1-[3-(1H-pyrrol-1-yl)phenyl]methanamine, CALCIUM ION, Cationic trypsin, ... | | Authors: | Yamane, J, Yao, M, Zhou, Y, Tanaka, I. | | Deposit date: | 2011-05-10 | | Release date: | 2011-08-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
|
|
3RXI
 | | Crystal structure of Trypsin complexed with 2-(1H-indol-3-yl)ethanamine | | Descriptor: | 2-(1H-INDOL-3-YL)ETHANAMINE, CALCIUM ION, Cationic trypsin, ... | | Authors: | Yamane, J, Yao, M, Zhou, Y, Tanaka, I. | | Deposit date: | 2011-05-10 | | Release date: | 2011-08-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
|
|
6L5A
 | | The structure of the UdgX mutant H109E at a pre-excision state | | Descriptor: | GLYCEROL, IRON/SULFUR CLUSTER, Uracil DNA glycosylase superfamily protein | | Authors: | Xie, W, Tu, J, Zeng, H. | | Deposit date: | 2019-10-22 | | Release date: | 2020-10-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.80007327 Å) | | Cite: | Structural insights into an MsmUdgX mutant capable of both crosslinking and uracil excision capability.
DNA Repair (Amst), 97, 2021
|
|
6L64
 | | X-ray structure of human galectin-10 in complex with D-glucose | | Descriptor: | Galectin-10, beta-D-glucopyranose | | Authors: | Kamitori, S. | | Deposit date: | 2019-10-28 | | Release date: | 2020-03-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Structures of human galectin-10/monosaccharide complexes demonstrate potential of monosaccharides as effectors in forming Charcot-Leyden crystals.
Biochem.Biophys.Res.Commun., 2020
|
|
6YOY
 | |
