Author results

4Y7A
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FACTOR XA COMPLEX WITH GTC000422
分子名称:Coagulation factor X, CALCIUM ION, MAGNESIUM ION, ...
著者Convery, M.A., Young, R.J., Senger, S., Hamblin, J.N., Chan, C., Toomey, J.R., Watson, N.S.
登録日2015-02-13
公開日2015-09-30
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Factor Xa complex with GTC000422
to be published
4Y7B
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FACTOR XA COMPLEX WITH GTC000441
分子名称:Coagulation factor X, CALCIUM ION, 6-chloro-N-{(3S)-1-[(2S)-1-{(1R,5S)-7-[2-(methylamino)ethyl]-3,7-diazabicyclo[3.3.1]non-3-yl}-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}naphthalene-2-sulfonamide
著者Convery, M.A., Young, R.J., Senger, S., Hamblin, J.N., Chan, C., Toomey, J.R., Watson, N.S.
登録日2015-02-13
公開日2015-09-30
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Factor Xa complex with GTC000441
to be published
4Y6D
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FACTOR XA COMPLEX WITH GTC000101
分子名称:Coagulation factor X, 4-[(3S)-3-({[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl}amino)-2-oxopyrrolidin-1-yl]-3-fluoro-N,N-dimethylbenzamide
著者Convery, M.A.
登録日2015-02-12
公開日2015-09-30
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献TBA
To Be Published
4ZH8
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FACTOR XA COMPLEX WITH GTC000006
分子名称:Coagulation factor X, CALCIUM ION, 6-chloro-N-{(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxo-2,3-dihydro-1H-pyrrol-3-yl}-N-(2-oxobutyl)naphthalene-2-sulfonamide
著者Convery, M.A.
登録日2015-04-24
公開日2016-01-13
最終更新日2018-04-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Factor Xa complex with GTC000006
To Be Published
4ZHA
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FACTOR XA COMPLEX WITH GTC000102
分子名称:Coagulation factor X, CALCIUM ION, MAGNESIUM ION, ...
著者Convery, M.A.
登録日2015-04-24
公開日2016-01-13
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Factor Xa complex with GTC000102
To Be Published
6MSF
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F6 APTAMER MS2 COAT PROTEIN COMPLEX
分子名称:RNA (5'-R(*CP*CP*AP*CP*AP*GP*UP*CP*AP*CP*UP*GP*GP*G)-3'), RNA (5'-R(*CP*AP*GP*UP*CP*AP*CP*UP*GP*G)-3'), PROTEIN (MS2 PROTEIN CAPSID)
著者Convery, M.A., Rowsell, S., Stonehouse, N.J., Ellington, A.D., Hirao, I., Murray, J.B., Peabody, D.S., Phillips, S.E.V., Stockley, P.G.
登録日1998-01-06
公開日1998-07-08
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of an RNA aptamer-protein complex at 2.8 A resolution.
Nat.Struct.Biol., 5, 1998
4Y71
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FACTOR XA COMPLEX WITH GTC000398
分子名称:Coagulation factor X, CALCIUM ION, 6-chloro-N-{(3S)-1-[(2S)-1-(4-methyl-5-oxo-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}naphthalene-2-sulfonamide
著者Convery, M.A., Young, R.J., Senger, S., Hamblin, J.N., Chan, C., Toomey, J.R., Watson, N.S.
登録日2015-02-13
公開日2015-09-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Factor Xa complex with GTC000398
To be Published
5J79
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THE IDENTIFICATION AND PHARMACOLOGICAL CHARACTERIZATION OF 6-(TERT-BUTYLSULFONYL)-N-(5-FLUORO-1H-INDAZOL-3-YL)QUINOLIN-4-AMINE (GSK583), A HIGHLY POTENT AND SELECTIVE INHIBITOR OF RIP2 KINASE, COMPOUND 3 COMPLEX
分子名称:Receptor-interacting serine/threonine-protein kinase 2, 4-methyl-3-{[6-(methylsulfonyl)quinolin-4-yl]amino}phenol, SULFATE ION
著者Convery, M.A., Casillas, L.N., Haile, P.A., Votta, B.J., Lakdawala, A.S.
登録日2016-04-06
公開日2016-05-18
最終更新日2016-06-08
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献The Identification and Pharmacological Characterization of 6-(tert-Butylsulfonyl)-N-(5-fluoro-1H-indazol-3-yl)quinolin-4-amine (GSK583), a Highly Potent and Selective Inhibitor of RIP2 Kinase.
J.Med.Chem., 59, 2016
5J7B
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THE IDENTIFICATION AND PHARMACOLOGICAL CHARACTERIZATION OF 6-(TERT-BUTYLSULFONYL)-N-(5-FLUORO-1H-INDAZOL-3-YL)QUINOLIN-4-AMINE (GSK583), A HIGHLY POTENT AND SELECTIVE INHIBITOR OF RIP2 KINASE, GSK583 COMPLEX
分子名称:Receptor-interacting serine/threonine-protein kinase 2, 6-(tert-butylsulfonyl)-N-(5-fluoro-2H-indazol-3-yl)quinolin-4-amine
著者Convery, M.A., Casillas, L.N., Haile, P.A., Votta, B.J., Lakdawala, A.S.
登録日2016-04-06
公開日2016-05-18
最終更新日2016-06-08
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献The Identification and Pharmacological Characterization of 6-(tert-Butylsulfonyl)-N-(5-fluoro-1H-indazol-3-yl)quinolin-4-amine (GSK583), a Highly Potent and Selective Inhibitor of RIP2 Kinase.
J.Med.Chem., 59, 2016
6HMX
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RIP2 KINASE CATALYTIC DOMAIN COMPLEX WITH N(4,5DIMETHYL1HPYRAZOL3YL)7METHOXY6(2METHYLPROPANE2SULFONYL)QUINOLIN4AMINE
分子名称:Receptor-interacting serine/threonine-protein kinase 2, 6-~{tert}-butylsulfonyl-~{N}-(3,4-dimethyl-1~{H}-pyrazol-5-yl)-7-methoxy-quinolin-4-amine
著者Convery, M.A., Haile, P.A.
登録日2018-09-13
公開日2018-11-07
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Identification of Quinoline-Based RIP2 Kinase Inhibitors with an Improved Therapeutic Index to the hERG Ion Channel.
ACS Med Chem Lett, 9, 2018
4Y76
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FACTOR XA COMPLEX WITH GTC000401
分子名称:Coagulation factor X, CALCIUM ION, N~2~-[(6-chloronaphthalen-2-yl)sulfonyl]-N~2~-{(3S)-1-[(2S)-1-(4-methyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}glycinamide
著者Convery, M.A., Young, R.J., Senger, S., Hamblin, J.N., Chan, C., Toomey, J.R., Watson, N.S.
登録日2015-02-13
公開日2015-09-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Factor Xa inhibitors: S1 binding interactions of a series of N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}sulfonamides.
J. Med. Chem., 50, 2007
4Y79
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FACTOR XA COMPLEX WITH GTC000406
分子名称:Coagulation factor X, CALCIUM ION, MAGNESIUM ION, ...
著者Convery, M.A., Young, R.J., Senger, S., Hamblin, J.N., Chan, C., Toomey, J.R., Watson, N.S.
登録日2015-02-13
公開日2015-09-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Factor Xa inhibitors: S1 binding interactions of a series of N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}sulfonamides.
J. Med. Chem., 50, 2007
5OB5
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FAB COMPLEX WITH GROBETA. ABVANCE: INCREASING OUR KNOWLEDGE OF ANTIBODY STRUCTURAL SPACE TO ENABLE FASTER AND BETTER DECISION-MAKING IN ANTIBODY DRUG DISCOVERY.
分子名称:C-X-C motif chemokine 2, fAb Heavy chain, fAb Light chain, ...
著者Zhao, B., Ward, P., Convery, M.A.
登録日2017-06-26
公開日2017-11-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献AbVance: increasing our knowledge of antibody structural space to enable faster and better decision-making in antibody drug discovery
To Be Published
5OBF
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FAB. ABVANCE: INCREASING OUR KNOWLEDGE OF ANTIBODY STRUCTURAL SPACE TO ENABLE FASTER AND BETTER DECISION-MAKING IN ANTIBODY DRUG DISCOVERY.
分子名称:fAb Heavy chain, fAb Light chain, SULFATE ION, ...
著者Vicentini, G., Convery, M.A.
登録日2017-06-26
公開日2017-11-08
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献AbVance: increasing our knowledge of antibody structural space to enable faster and better decision-making in antibody drug discovery
To Be Published
5OIC
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INHA (T2A MUTANT) COMPLEXED WITH (4-((1H-PYRAZOL-1-YL)METHYL)PHENYL)METHANOL
分子名称:Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, [4-(pyrazol-1-ylmethyl)phenyl]methanol, ...
著者Convery, M.A.
登録日2017-07-18
公開日2018-02-14
最終更新日2018-04-18
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018
5OIF
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INHA (T2A MUTANT) COMPLEXED WITH 1-BENZYL-3-METHYL-1H-PYRAZOL-5-AMINE
分子名称:Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 5-methyl-2-(phenylmethyl)pyrazol-3-amine
著者Convery, M.A.
登録日2017-07-18
公開日2018-02-14
最終更新日2018-04-18
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018
5OIL
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INHA (T2A MUTANT) COMPLEXED WITH 1-CYCLOHEXYL-3-(PYRIDIN-3-YLMETHYL)UREA
分子名称:Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 1-cyclohexyl-3-(pyridin-3-ylmethyl)urea, ...
著者Convery, M.A.
登録日2017-07-19
公開日2018-02-14
最終更新日2018-04-18
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018
5OIM
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INHA (T2A MUTANT) COMPLEXED WITH ETHYL 2-METHYL-4,5,6,7-TETRAHYDROBENZO[D]THIAZOLE-6-CARBOXYLATE
分子名称:Enoyl-[acyl-carrier-protein] reductase [NADH], ethyl (6~{R})-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylate, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Convery, M.A.
登録日2017-07-19
公開日2018-02-14
最終更新日2018-04-18
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018
5OIN
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INHA (T2A MUTANT) COMPLEXED WITH N-(1-(PYRIMIDIN-2-YL)PIPERIDIN-4-YL)ACETAMIDE
分子名称:Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ~{N}-(1-pyrimidin-2-ylpiperidin-4-yl)ethanamide
著者Convery, M.A.
登録日2017-07-19
公開日2018-02-14
最終更新日2018-04-18
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018
5OIO
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INHA (T2A MUTANT) COMPLEXED WITH 5-((3,5-DIMETHYL-1H-PYRAZOL-1-YL)METHYL)-N-ETHYL-1,3,4-THIADIAZOL-2-AMINE
分子名称:Enoyl-[acyl-carrier-protein] reductase [NADH], 5-[(3,5-dimethylpyrazol-1-yl)methyl]-~{N}-ethyl-1,3,4-thiadiazol-2-amine, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Convery, M.A.
登録日2017-07-19
公開日2018-02-14
最終更新日2018-04-18
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018
5OIP
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INHA (T2A MUTANT) COMPLEXED WITH 1-(PYRIDIN-3-YLMETHYL)-3-(1-(PYRIMIDIN-2-YL)PIPERIDIN-4-YL)UREA
分子名称:Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 1-(pyridin-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea, ...
著者Convery, M.A.
登録日2017-07-19
公開日2018-02-14
最終更新日2018-04-18
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018
5OIQ
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INHA (T2A MUTANT) COMPLEXED WITH 2,6-DIMETHYL-3-PHENYLPYRIDIN-4(1H)-ONE
分子名称:Enoyl-[acyl-carrier-protein] reductase [NADH], 2,6-dimethyl-3-phenyl-1~{H}-pyridin-4-one, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Convery, M.A.
登録日2017-07-19
公開日2018-02-14
最終更新日2018-04-18
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018
5OIR
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INHA (T2A MUTANT) COMPLEXED WITH 2,6-DIMETHYL-3-(1-(PYRIMIDIN-2-YL)PIPERIDIN-4-YL)PYRIDIN-4(1H)-ONE
分子名称:Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 2,6-dimethyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)-1~{H}-pyridin-4-one, ...
著者Convery, M.A.
登録日2017-07-19
公開日2018-02-14
最終更新日2018-04-18
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018
5OIS
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INHA (T2A MUTANT) COMPLEXED WITH 4-((5-AMINO-3-METHYL-1H-PYRAZOL-1-YL)METHYL)-N-(2-CHLORO-4-FLUOROBENZYL)BENZAMIDE
分子名称:Enoyl-[acyl-carrier-protein] reductase [NADH], 4-[(5-azanyl-3-methyl-pyrazol-1-yl)methyl]-~{N}-[(2-chloranyl-4-fluoranyl-phenyl)methyl]benzamide, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Convery, M.A.
登録日2017-07-19
公開日2018-02-14
最終更新日2018-04-18
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018
5OIT
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INHA (T2A MUTANT) COMPLEXED WITH 5-((5-AMINO-3-METHYL-1H-PYRAZOL-1-YL)METHYL)-N-(1-(2-CHLORO-6-FLUOROBENZYL)-1H-PYRAZOL-3-YL)-1,3,4-THIADIAZOL-2-AMINE
分子名称:Enoyl-[acyl-carrier-protein] reductase [NADH], 5-[(5-azanyl-3-methyl-pyrazol-1-yl)methyl]-~{N}-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-1,3,4-thiadiazol-2-amine, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Convery, M.A.
登録日2017-07-19
公開日2018-02-14
最終更新日2018-04-18
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018