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PDB: 92 results
1VFL
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BU of 1vfl by Molmil
Adenosine deaminase
Descriptor: Adenosine deaminase, ZINC ION
Authors:Kinoshita, T.
Deposit date:2004-04-16
Release date:2005-08-16
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Basis of Compound Recognition by Adenosine Deaminase
Biochemistry, 44, 2005
3E3B
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BU of 3e3b by Molmil
Crystal structure of catalytic subunit of human protein kinase CK2alpha prime with a potent indazole-derivative inhibitor
Descriptor: Casein kinase II subunit alpha', [1-(6-{6-[(1-methylethyl)amino]-1H-indazol-1-yl}pyrazin-2-yl)-1H-pyrrol-3-yl]acetic acid
Authors:Kinoshita, T, Nakaniwa, T, Tada, T.
Deposit date:2008-08-07
Release date:2009-03-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure of human protein kinase CK2alpha2 with a potent indazole-derivative inhibitor
Acta Crystallogr.,Sect.F, 65, 2009
1KRM
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BU of 1krm by Molmil
Crystal structure of bovine adenosine deaminase complexed with 6-hydroxyl-1,6-dihydropurine riboside
Descriptor: 6-HYDROXY-1,6-DIHYDRO PURINE NUCLEOSIDE, ZINC ION, adenosine deaminase
Authors:Kinoshita, T.
Deposit date:2002-01-10
Release date:2003-01-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of bovine adenosine deaminase complexed with 6-hydroxy-1,6-dihydropurine riboside.
Acta Crystallogr.,Sect.D, 59, 2003
1IEI
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BU of 1iei by Molmil
CRYSTAL STRUCTURE OF HUMAN ALDOSE REDUCTASE COMPLEXED WITH THE INHIBITOR ZENARESTAT.
Descriptor: ALDOSE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [3-(4-BROMO-2-FLUORO-BENZYL)-7-CHLORO-2,4-DIOXO-3,4-DIHYDRO-2H-QUINAZOLIN-1-YL]-ACETIC ACID
Authors:Kinoshita, T, Miyake, H, Fujii, T, Takakura, S, Goto, T.
Deposit date:2001-04-09
Release date:2002-04-10
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The structure of human recombinant aldose reductase complexed with the potent inhibitor zenarestat.
Acta Crystallogr.,Sect.D, 58, 2002
1NDV
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BU of 1ndv by Molmil
Crystal Structure of Adenosine Deaminase complexed with FR117016
Descriptor: Adenosine deaminase, N''-(4-(5-((1H-BENZIMIDAZOL-2-YLAMINO)METHYL)-2-THIENYL)-1,3-THIAZOL-2-YL)GUANIDINE, ZINC ION
Authors:Kinoshita, T.
Deposit date:2002-12-09
Release date:2003-12-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A highly potent non-nucleoside adenosine deaminase inhibitor: efficient drug discovery by intentional lead hybridization
J.Am.Chem.Soc., 126, 2004
1NDY
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BU of 1ndy by Molmil
Crystal Structure of Adenosine Deaminase Complexed with FR230513
Descriptor: 1-((1R)-1-(HYDROXYMETHYL)-3-(1-NAPHTHYL)PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE, Adenosine Deaminase, ZINC ION
Authors:Kinoshita, T.
Deposit date:2002-12-09
Release date:2003-12-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:A highly potent non-nucleoside adenosine deaminase inhibitor: efficient drug discovery by intentional lead hybridization
J.Am.Chem.Soc., 126, 2004
1NDW
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BU of 1ndw by Molmil
Crystal Structure of Adenosine Deaminase Complexed with FR221647
Descriptor: 1-((1R)-1-(HYDROXYMETHYL)-3-PHENYLPROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE, Adenosine Deaminase, ZINC ION
Authors:Kinoshita, T.
Deposit date:2002-12-09
Release date:2003-12-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:A highly potent non-nucleoside adenosine deaminase inhibitor: efficient drug discovery by intentional lead hybridization
J.Am.Chem.Soc., 126, 2004
1NDZ
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BU of 1ndz by Molmil
Crystal Structure of Adenosine Deaminase Complexed with FR235999
Descriptor: 1-((1R)-1-(HYDROXYMETHYL)-3-(6-((3-(1-METHYL-1H-BENZIMIDAZOL-2-YL)PROPANOYL)AMINO)-1H-INDOL-1-YL)PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE, Adenosine Deaminase, ZINC ION
Authors:Kinoshita, T.
Deposit date:2002-12-09
Release date:2003-12-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:A highly potent non-nucleoside adenosine deaminase inhibitor: efficient drug discovery by intentional lead hybridization
J.Am.Chem.Soc., 126, 2004
1WXY
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BU of 1wxy by Molmil
Crystal structure of adenosine deaminase ligated with a potent inhibitor
Descriptor: Adenosine deaminase, N-[4,5-BIS(4-HYDROXYPHENYL)-1,3-THIAZOL-2-YL]HEXANAMIDE, ZINC ION
Authors:Kinoshita, T.
Deposit date:2005-02-02
Release date:2005-08-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Basis of Compound Recognition by Adenosine Deaminase
Biochemistry, 44, 2005
1WXZ
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BU of 1wxz by Molmil
Crystal structure of adenosine deaminase ligated with a potent inhibitor
Descriptor: 1-((1R,2S)-1-{2-[2-(4-CHLOROPHENYL)-1,3-BENZOXAZOL-7-YL]ETHYL}-2-HYDROXYPROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE, Adenosine deaminase, ZINC ION
Authors:Kinoshita, T.
Deposit date:2005-02-02
Release date:2005-08-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Rational design of non-nucleoside, potent, and orally bioavailable adenosine deaminase inhibitors: predicting enzyme conformational change and metabolism
J.Med.Chem., 48, 2005
1WZY
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BU of 1wzy by Molmil
Crystal structure of human ERK2 complexed with a pyrazolopyridazine derivative
Descriptor: 1-ALLYL-5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE, Mitogen-activated protein kinase 1
Authors:Kinoshita, T.
Deposit date:2005-03-10
Release date:2005-12-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of human ERK2 complexed with a pyrazolo[3,4-c]pyridazine derivative
Bioorg.Med.Chem.Lett., 16, 2006
7CBX
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BU of 7cbx by Molmil
Crystal structure of MAP2K7 complexed with a covalent inhibitor 12
Descriptor: 3-(1H-indazol-3-yl)-5-(prop-2-enoylamino)-N-prop-2-ynyl-benzamide, Dual specificity mitogen-activated protein kinase kinase 7, GLYCEROL
Authors:Kinoshita, T, Murakawa, Y.
Deposit date:2020-06-15
Release date:2020-09-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.061 Å)
Cite:Structural basis for producing selective MAP2K7 inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
1WYI
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BU of 1wyi by Molmil
human triosephosphate isomerase of new crystal form
Descriptor: Triosephosphate isomerase
Authors:Kinoshita, T.
Deposit date:2005-02-14
Release date:2005-04-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of a high-resolution crystal form of human triosephosphate isomerase: improvement of crystals using the gel-tube method.
Acta Crystallogr.,Sect.F, 61, 2005
1O5R
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BU of 1o5r by Molmil
Crystal structure of adenosine deaminase complexed with a potent inhibitor
Descriptor: 1-[(1R)-3-(6-{[(BENZYLAMINO)CARBONYL]AMINO}-1H-INDOL-1-YL)-1-(HYDROXYMETHYL)PROPYL]-1H-IMIDAZOLE-4-CARBOXAMIDE, Adenosine deaminase, ZINC ION
Authors:Kinoshita, T.
Deposit date:2003-10-05
Release date:2004-09-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure-based design, synthesis, and structure-activity relationship studies of novel non-nucleoside adenosine deaminase inhibitors
J.Med.Chem., 47, 2004
1MMJ
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BU of 1mmj by Molmil
Porcine pancreatic elastase complexed with a potent peptidyl inhibitor, FR136706
Descriptor: 2-[4-[[(S)-1-[[(S)-2-[[(RS)-3,3,3-TRIFLUORO-1-ISOPROPYL-2-OXOPROPYL]AMINOCARBONYL]PYRROLIDIN-1-YL-]CARBONYL]-2-METHYLPROPYL]AMINOCARBONYL]BENZOYLAMINO]ACETIC ACID, CALCIUM ION, SULFATE ION, ...
Authors:Kinoshita, T.
Deposit date:2002-09-04
Release date:2002-12-23
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:True interaction mode of porcine pancreatic elastase with FR136706, a potent peptidyl inhibitor
Bioorg.Med.Chem.Lett., 13, 2003
6A1C
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BU of 6a1c by Molmil
Crystal structure of the CK2a1-go289 complex
Descriptor: 1,2-ETHANEDIOL, 5-bromanyl-2-methoxy-4-[(E)-(3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)iminomethyl]phenol, Casein kinase II subunit alpha, ...
Authors:Kinoshita, T, Tsuyuguchi, M.
Deposit date:2018-06-07
Release date:2019-03-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Cell-based screen identifies a new potent and highly selective CK2 inhibitor for modulation of circadian rhythms and cancer cell growth.
Sci Adv, 5, 2019
1V7A
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BU of 1v7a by Molmil
Crystal structures of adenosine deaminase complexed with potent inhibitors
Descriptor: 1-{(1R,2S)-2-HYDROXY-1-[2-(2-NAPHTHYLOXY)ETHYL]PROPYL}-1H-IMIDAZONE-4-CARBOXAMIDE, ZINC ION, adenosine deaminase
Authors:Kinoshita, T.
Deposit date:2003-12-14
Release date:2004-12-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-based design and synthesis of non-nucleoside, potent, and orally bioavailable adenosine deaminase inhibitors
J.Med.Chem., 47, 2004
1V79
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BU of 1v79 by Molmil
Crystal structures of adenosine deaminase complexed with potent inhibitors
Descriptor: 1-{(1R,2S)-1-[2-(2,3,-DICHLOROPHENYL)ETHYL]-2-HYDROXYPROPYL}-1H-IMIDAZOLE-4-CARBOXAMIDE, Adenosine deaminase, ZINC ION
Authors:Kinoshita, T.
Deposit date:2003-12-14
Release date:2004-12-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-based design and synthesis of non-nucleoside, potent, and orally bioavailable adenosine deaminase inhibitors
J.Med.Chem., 47, 2004
1TVO
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BU of 1tvo by Molmil
The structure of ERK2 in complex with a small molecule inhibitor
Descriptor: 5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE, Mitogen-activated protein kinase 1
Authors:Kinoshita, T.
Deposit date:2004-06-30
Release date:2005-09-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Identification of a selective ERK inhibitor and structural determination of the inhibitor-ERK2 complex
Biochem.Biophys.Res.Commun., 336, 2005
1QXL
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BU of 1qxl by Molmil
Crystal structure of Adenosine deaminase complexed with FR235380
Descriptor: 1-((1R)-1-(HYDROXYMETHYL)-3-{6-[(5-PHENYLPENTANOYL)AMINO]-1H-INDOL-1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE, Adenosine deaminase, ZINC ION
Authors:Kinoshita, T.
Deposit date:2003-09-08
Release date:2004-09-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure-based design, synthesis, and structure-activity relationship studies of novel non-nucleoside adenosine deaminase inhibitors
J.Med.Chem., 47, 2004
1UK0
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BU of 1uk0 by Molmil
Crystal structure of catalytic domain of human poly(ADP-ribose) polymerase with a novel inhibitor
Descriptor: 2-{3-[4-(4-FLUOROPHENYL)-3,6-DIHYDRO-1(2H)-PYRIDINYL]PROPYL}-8-METHYL-4(3H)-QUINAZOLINONE, Poly [ADP-ribose] polymerase-1
Authors:Kinoshita, T.
Deposit date:2003-08-13
Release date:2004-01-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Inhibitor-induced structural change of the active site of human poly(ADP-ribose) polymerase.
Febs Lett., 556, 2004
1UML
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BU of 1uml by Molmil
Crystal structure of adenosine deaminase complexed with a potent inhibitor FR233624
Descriptor: 1-((1R)-1-(HYDROXYMETHYL)-3-{6-[(3-PHENYLPROPANOYL)AMINO]-1H-INDOL-1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE, Adenosine deaminase, ZINC ION
Authors:Kinoshita, T.
Deposit date:2003-10-03
Release date:2004-09-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-based design, synthesis, and structure-activity relationship studies of novel non-nucleoside adenosine deaminase inhibitors
J.Med.Chem., 47, 2004
5Y90
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BU of 5y90 by Molmil
MAP2K7 mutant -C218S
Descriptor: Dual specificity mitogen-activated protein kinase kinase 7, GLYCEROL
Authors:Kinoshita, T, Hashimoto, T, Sogabe, Y, Matsumoto, T, Sawa, M, Fukada, H.
Deposit date:2017-08-22
Release date:2017-10-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:High-resolution structure discloses the potential for allosteric regulation of mitogen-activated protein kinase kinase 7
Biochem. Biophys. Res. Commun., 493, 2017
5Y8U
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BU of 5y8u by Molmil
Crystal structure of the C276S mutant of MAP2K7
Descriptor: Dual specificity mitogen-activated protein kinase kinase 7
Authors:Kinoshita, T.
Deposit date:2017-08-21
Release date:2017-10-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:High-resolution structure discloses the potential for allosteric regulation of mitogen-activated protein kinase kinase 7
Biochem. Biophys. Res. Commun., 493, 2017
5AX3
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BU of 5ax3 by Molmil
Crystal structure of ERK2 complexed with allosteric and ATP-competitive inhibitors.
Descriptor: (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, Mitogen-activated protein kinase 1, allosteric and ATP-competitive inhibitor
Authors:Kinoshita, T, Sugiyama, H, Mori, Y, Takahashi, N, Tomonaga, A.
Deposit date:2015-07-14
Release date:2016-02-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.984 Å)
Cite:Identification of allosteric ERK2 inhibitors through in silico biased screening and competitive binding assay
Bioorg.Med.Chem.Lett., 26, 2016

 

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