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PDB: 32 件
1AOJ
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THE SH3 DOMAIN OF EPS8 EXISTS AS A NOVEL INTERTWINED DIMER
分子名称: EPS8
著者Kishan, K.V.R, Newcomer, M.E.
登録日1997-07-07
公開日1998-07-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The SH3 domain of Eps8 exists as a novel intertwined dimer.
Nat.Struct.Biol., 4, 1997
7W9W
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2.02 angstrom cryo-EM structure of the pump-like channelrhodopsin ChRmine
分子名称: CHOLESTEROL, ChRmine, PALMITIC ACID, ...
著者Kishi, K.E, Kim, Y, Fukuda, M, Yamashita, K, Deisseroth, K, Kato, H.E.
登録日2021-12-11
公開日2022-02-02
最終更新日2022-03-09
実験手法ELECTRON MICROSCOPY (2 Å)
主引用文献Structural basis for channel conduction in the pump-like channelrhodopsin ChRmine.
Cell, 185, 2022
3ZVQ
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Crystal Structure of proteolyzed lysozyme
分子名称: LYSOZYME C
著者Kishan, K.V, Sharma, A.
登録日2011-07-26
公開日2011-10-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Salt-assisted religation of proteolyzed Glutathione-S-transferase follows Hofmeister series.
Protein Pept.Lett., 17, 2010
1I07
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EPS8 SH3 DOMAIN INTERTWINED DIMER
分子名称: EPIDERMAL GROWTH FACTOR RECEPTOR KINASE SUBSTRATE EPS8
著者Kishan, K.V.R, Newcomer, M.E.
登録日2001-01-29
公開日2001-05-09
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Effect of pH and salt bridges on structural assembly: molecular structures of the monomer and intertwined dimer of the Eps8 SH3 domain.
Protein Sci., 10, 2001
1I0C
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EPS8 SH3 CLOSED MONOMER
分子名称: EPIDERMAL GROWTH FACTOR RECEPTOR KINASE SUBSTRATE EPS8
著者Kishan, K.V.R, Newcomer, M.E.
登録日2001-01-29
公開日2001-05-09
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Effect of pH and salt bridges on structural assembly: molecular structures of the monomer and intertwined dimer of the Eps8 SH3 domain.
Protein Sci., 10, 2001
6UM8
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HIV Integrase in complex with Compound-14
分子名称: (2S)-tert-butoxy[7-(8-fluoro-5-methyl-3,4-dihydro-2H-1-benzopyran-6-yl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid, DI(HYDROXYETHYL)ETHER, Integrase, ...
著者Khan, J.A, Kish, K.
登録日2019-10-09
公開日2020-03-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Discovery and Optimization of Novel Pyrazolopyrimidines as Potent and Orally Bioavailable Allosteric HIV-1 Integrase Inhibitors.
J.Med.Chem., 63, 2020
7U2U
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CRYSTAL STRUCTURE OF HIV-1 INTEGRASE COMPLEXED WITH Compound-2a AKA (2S)-2-(TERT-BUTOXY)-2-[7-(4,4-DIMETHYLPIPE RIDIN-1-YL)-8-{4-[2-(4-FLUOROPHENYL)ETHOXY]PHENYL}-2,5-DIM ETHYLIMIDAZO[1,2-A]PYRIDIN-6-YL]ACETIC ACID
分子名称: (2S)-tert-butoxy[(4S)-7-(4,4-dimethylpiperidin-1-yl)-8-{4-[2-(4-fluorophenyl)ethoxy]phenyl}-2,5-dimethylimidazo[1,2-a]pyridin-6-yl]acetic acid, Integrase, SULFATE ION
著者Khan, J.A, lewis, H, Kish, K.
登録日2022-02-24
公開日2022-06-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.839 Å)
主引用文献Scaffold modifications to the 4-(4,4-dimethylpiperidinyl) 2,6-dimethylpyridinyl class of HIV-1 allosteric integrase inhibitors.
Bioorg.Med.Chem., 67, 2022
3HPT
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Crystal structure of human FxA in complex with (S)-2-cyano-1-(2-methylbenzofuran-5-yl)-3-(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)azepan-3-yl)guanidine
分子名称: 1-cyano-2-(2-methyl-1-benzofuran-5-yl)-3-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, ...
著者Klei, H.E, Ghosh, K, Rushith, A, Kish, K.
登録日2009-06-04
公開日2009-11-17
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Cyanoguanidine-based lactam derivatives as a novel class of orally bioavailable factor Xa inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
5F95
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Crystal structure of GSK3b in complex with Compound 18: 2-[(cyclopropylcarbonyl)amino]-N-(4-phenylpyridin-3-yl)pyridine-4-carboxamide
分子名称: 2-[(cyclopropylcarbonyl)amino]-N-(4-phenylpyridin-3-yl)pyridine-4-carboxamide, Glycogen synthase kinase-3 beta
著者Lewis, H.A, Kish, K, Luo, G, Dubowchick, G.M.
登録日2015-12-09
公開日2016-02-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.525 Å)
主引用文献Discovery of Isonicotinamides as Highly Selective, Brain Penetrable, and Orally Active Glycogen Synthase Kinase-3 Inhibitors.
J.Med.Chem., 59, 2016
3K9X
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X-ray crystal structure of human fxa in complex with (S)-N-((2-METHYLBENZOFURAN-5-YLAMINO)(2-OXO-1-(2-OXO-2- (PYRROLIDIN-1-YL)ETHYL)AZEPAN-3- YLAMINO)METHYLENE)NICOTINAMIDE
分子名称: CALCIUM ION, GLYCEROL, N-{N'-(2-methyl-1-benzofuran-5-yl)-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl}pyridine-3-carboxamide, ...
著者Klei, H.E, Kish, K, Ghosh, K, Rushith, A.
登録日2009-10-16
公開日2009-12-15
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Aroylguanidine-based factor Xa inhibitors: the discovery of BMS-344577
Bioorg.Med.Chem.Lett., 19, 2009
5F94
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Crystal structure of GSK3b in complex with Compound 15: 2-[(cyclopropylcarbonyl)amino]-N-(4-methoxypyridin-3-yl)pyridine-4-carboxamide
分子名称: 2-[(cyclopropylcarbonyl)amino]-N-(4-methoxypyridin-3-yl)pyridine-4-carboxamide, Glycogen synthase kinase-3 beta
著者Lewis, H.A, Kish, K, Luo, G, Dubowchick, G.M.
登録日2015-12-09
公開日2016-02-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Discovery of Isonicotinamides as Highly Selective, Brain Penetrable, and Orally Active Glycogen Synthase Kinase-3 Inhibitors.
J.Med.Chem., 59, 2016
2NW4
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Crystal Structure of the Rat Androgen Receptor Ligand Binding Domain Complex with BMS-564929
分子名称: 2-CHLORO-4-[(7R,7AS)-7-HYDROXY-1,3-DIOXOTETRAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-2(3H)-YL]-3-METHYLBENZONITRILE, Androgen receptor
著者Ostrowski, J, Kuhns, J.E, Lupisella, J.A, Manfredi, M.C, Beehler, B.C, Krystek, S.R, Bi, Y, Sun, C, Seethala, R, Golla, R, Sleph, P.G, Fura, A, An, Y, Kish, K.F, Sack, J.S, Mookhtiar, K.A, Grover, G.J, Hamann, L.G.
登録日2006-11-14
公開日2006-12-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Pharmacological and x-ray structural characterization of a novel selective androgen receptor modulator: potent hyperanabolic stimulation of skeletal muscle with hypostimulation of prostate in rats.
Endocrinology, 148, 2007
4PTC
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Structure of a carboxamide compound (3) (2-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}-4-OXO-4H-1LAMBDA~4~,3-THIAZOLE-5-CARBOXAMIDE) to GSK3b
分子名称: 2-[2-(cyclopropylcarbonylamino)pyridin-4-yl]-4-methoxy-1,3-thiazole-5-carboxamide, Glycogen synthase kinase-3 beta
著者Lewis, H.A, Sivaprakasam, P, Kish, K, Pokross, M, Dubowchik, G.M.
登録日2014-03-10
公開日2015-04-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.711 Å)
主引用文献Discovery of new acylaminopyridines as GSK-3 inhibitors by a structure guided in-depth exploration of chemical space around a pyrrolopyridinone core.
Bioorg.Med.Chem.Lett., 25, 2015
7T9H
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HIV Integrase in complex with Compound-15
分子名称: (2S)-tert-butoxy[2-methyl-4-(4-methylphenyl)quinolin-3-yl]acetic acid, Integrase, MAGNESIUM ION
著者Khan, J.A, Lewis, H, Kish, K.
登録日2021-12-19
公開日2022-04-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Design, Synthesis, and Preclinical Profiling of GSK3739936 (BMS-986180), an Allosteric Inhibitor of HIV-1 Integrase with Broad-Spectrum Activity toward 124/125 Polymorphs.
J.Med.Chem., 65, 2022
7T9O
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HIV Integrase in complex with Compound-25
分子名称: (2S)-tert-butoxy[4-(4,4-dimethylpiperidin-1-yl)-5-{4-[2-(4-fluorophenyl)ethoxy]phenyl}-2,6-dimethylpyridin-3-yl]acetic acid, GLYCEROL, Integrase, ...
著者Khan, J.A, Lewis, H, Kish, K.
登録日2021-12-19
公開日2022-04-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Design, Synthesis, and Preclinical Profiling of GSK3739936 (BMS-986180), an Allosteric Inhibitor of HIV-1 Integrase with Broad-Spectrum Activity toward 124/125 Polymorphs.
J.Med.Chem., 65, 2022
4PTE
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Structure of a carvoxamide compound (15) (N-[4-(ISOQUINOLIN-7-YL)PYRIDIN-2-YL]CYCLOPROPANECARBOXAMIDE) to GSK3b
分子名称: Glycogen synthase kinase-3 beta, N-[4-(isoquinolin-7-yl)pyridin-2-yl]cyclopropanecarboxamide
著者Lewis, H.A, Sivaprakasam, P, Kish, K, Pokross, M, Dubowchik, G.M.
登録日2014-03-10
公開日2015-04-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.033 Å)
主引用文献Discovery of new acylaminopyridines as GSK-3 inhibitors by a structure guided in-depth exploration of chemical space around a pyrrolopyridinone core.
Bioorg.Med.Chem.Lett., 25, 2015
4PTG
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Structure of a carboxamine compound (26) (2-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}-4-METHOXYPYRIMIDINE-5-CARBOXAMIDE) to GSK3b
分子名称: 2-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}-4-methoxypyrimidine-5-carboxamide, Glycogen synthase kinase-3 beta
著者Lewis, H.A, Sivaprakasam, P, Kish, K, Pokross, M, Dubowchik, G.M.
登録日2014-03-10
公開日2015-04-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.361 Å)
主引用文献Discovery of new acylaminopyridines as GSK-3 inhibitors by a structure guided in-depth exploration of chemical space around a pyrrolopyridinone core.
Bioorg.Med.Chem.Lett., 25, 2015
2Y1W
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CRYSTAL STRUCTURE OF COACTIVATOR ASSOCIATED ARGININE METHYLTRANSFERASE 1 (CARM1) IN COMPLEX WITH SINEFUNGIN AND INDOLE INHIBITOR
分子名称: 2-{4-[3-FLUORO-2-(2-METHOXYPHENYL)-1H-INDOL-5-YL] PIPERIDIN-1-YL}-N-METHYLETHANAMINE, HISTONE-ARGININE METHYLTRANSFERASE CARM1, SINEFUNGIN
著者Sack, J.S, Thieffine, S, Bandiera, T, Fasolini, M, Duke, G.J, Jayaraman, L, Kish, K.F, Klei, H.E, Purandare, A.V, Rosettani, P, Troiani, S, Xie, D, Bertrand, J.A.
登録日2010-12-10
公開日2011-03-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Basis for Carm1 Inhibition by Indole and Pyrazole Inhibitors
Biochem.J., 436, 2011
2Y1X
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CRYSTAL STRUCTURE OF COACTIVATOR ASSOCIATED ARGININE METHYLTRANSFERASE 1 (CARM1) IN COMPLEX WITH SINEFUNGIN AND INDOLE INHIBITOR
分子名称: CHLORIDE ION, HISTONE-ARGININE METHYLTRANSFERASE CARM1, N-(3-{5-[5-(1H-INDOL-4-YL)-1,3,4-OXADIAZOL-2-YL]-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL}BENZYL)-L-ALANINAMIDE, ...
著者Sack, J.S, Thieffine, S, Bandiera, T, Fasolini, M, Duke, G.J, Jayaraman, L, Kish, K.F, Klei, H.E, Purandare, A.V, Rosettani, P, Troiani, S, Xie, D, Bertrand, J.A.
登録日2010-12-10
公開日2011-03-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Basis for Carm1 Inhibition by Indole and Pyrazole Inhibitors
Biochem.J., 436, 2011
1A0G
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L201A MUTANT OF D-AMINO ACID AMINOTRANSFERASE COMPLEXED WITH PYRIDOXAMINE-5'-PHOSPHATE
分子名称: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, D-AMINO ACID AMINOTRANSFERASE
著者Sugio, S, Kashima, A, Kishimoto, K, Peisach, D, Petsko, G.A, Ringe, D, Yoshimura, T, Esaki, N.
登録日1997-11-30
公開日1998-06-03
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures of L201A mutant of D-amino acid aminotransferase at 2.0 A resolution: implication of the structural role of Leu201 in transamination.
Protein Eng., 11, 1998
1YNY
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Molecular Structure of D-Hydantoinase from a Bacillus sp. AR9: Evidence for mercury inhibition
分子名称: D-Hydantoinase, MANGANESE (II) ION
著者Radha Kishan, K.V, Vohra, R.M, Ganeshan, K, Agrawal, V, Sharma, V.M, Sharma, R.
登録日2005-01-26
公開日2005-03-01
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular structure of D-hydantoinase from Bacillus sp. AR9: evidence for mercury inhibition.
J.Mol.Biol., 347, 2005
1MSS
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BU of 1mss by Molmil
LARGE SCALE STRUCTURAL REARRANGEMENTS OF THE FRONT LOOPS IN MONOMERISED TRIOSEPHOSPHATE ISOMERASE, AS DEDUCED FROM THE COMPARISON OF THE STRUCTURAL PROPERTIES OF MONOTIM AND ITS POINT MUTATION VARIANT MONOSS
分子名称: TRIOSEPHOSPHATE ISOMERASE
著者Radha Kishan, K.V, Wierenga, R.K.
登録日1994-07-27
公開日1994-09-30
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Three new crystal structures of point mutation variants of monoTIM: conformational flexibility of loop-1, loop-4 and loop-8.
Structure, 3, 1995
1TTJ
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THREE NEW CRYSTAL STRUCTURES OF POINT MUTATION VARIANTS OF MONOTIM: CONFORMATIONAL FLEXIBILITY OF LOOP-1,LOOP-4 AND LOOP-8
分子名称: PHOSPHOGLYCOLOHYDROXAMIC ACID, TRIOSEPHOSPHATE ISOMERASE
著者Radha Kishan, K.V, Wierenga, R.K.
登録日1995-04-20
公開日1995-09-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Three new crystal structures of point mutation variants of monoTIM: conformational flexibility of loop-1, loop-4 and loop-8.
Structure, 3, 1995
1TPF
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COMPARISON OF THE STRUCTURES AND THE CRYSTAL CONTACTS OF TRYPANOSOMAL TRIOSEPHOSPHATE ISOMERASE IN FOUR DIFFERENT CRYSTAL FORMS
分子名称: DIMETHYL SULFOXIDE, TRIOSEPHOSPHATE ISOMERASE
著者Radha Kishan, K.V, Zeelen, J.Ph, Wierenga, R.K.
登録日1994-02-28
公開日1994-05-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Comparison of the structures and the crystal contacts of trypanosomal triosephosphate isomerase in four different crystal forms.
Protein Sci., 3, 1994
1TTI
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THREE NEW CRYSTAL STRUCTURES OF POINT MUTATION VARIANTS OF MONOTIM: CONFORMATIONAL FLEXIBILITY OF LOOP-1,LOOP-4 AND LOOP-8
分子名称: 2-PHOSPHOGLYCOLIC ACID, TRIOSEPHOSPHATE ISOMERASE
著者Radha Kishan, K.V, Wierenga, R.K.
登録日1995-04-19
公開日1995-10-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Three new crystal structures of point mutation variants of monoTIM: conformational flexibility of loop-1, loop-4 and loop-8.
Structure, 3, 1995

 

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