1IA2
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![BU of 1ia2 by Molmil](/molmil-images/mine/1ia2) | Candida albicans dihydrofolate reductase complexed with dihydro-nicotinamide-adenine-dinucleotide phosphate (NADPH) and 5-[(4-METHYLPHENYL)SULFANYL]-2,4-QUINAZOLINEDIAMINE (GW578) | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[(4-METHYLPHENYL)SULFANYL]-2,4-QUINAZOLINEDIAMINE, DIHYDROFOLATE REDUCTASE, ... | 著者 | Whitlow, M, Howard, A.J, Kuyper, L.F. | 登録日 | 2001-03-22 | 公開日 | 2001-04-11 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | X-ray Crystal Structures of Candida albicans Dihydrofolate Reductase: High Resolution Ternary Complexes in Which the Dihydronicotinamide Moiety of NADPH is Displaced by an inhibitor J.Med.Chem., 44, 2001
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1IA4
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![BU of 1ia4 by Molmil](/molmil-images/mine/1ia4) | Candida albicans dihydrofolate reductase complex in which the dihydronicotinamide moiety of dihydro-nicotinamide-adenine-dinucleotide phosphate (NADPH) is displaced by 5-{[4-(4-MORPHOLINYL)PHENYL]SULFANYL}-2,4-QUINAZOLINEDIAMIN (GW2021) | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(4-MORPHOLIN-4-YL-PHENYLSULFANYL)-2,4-QUINAZOLINEDIAMINE, DIHYDROFOLATE REDUCTASE, ... | 著者 | Whitlow, M, Howard, A.J, Kuyper, L.F. | 登録日 | 2001-03-22 | 公開日 | 2001-04-11 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | X-ray Crystal Structures of Candida albicans Dihydrofolate Reductase: High Resolution Ternary Complexes in Which the Dihydronicotinamide Moiety of NADPH is Displaced by an inhibitor J.Med.Chem., 44, 2001
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2GPX
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![BU of 2gpx by Molmil](/molmil-images/mine/2gpx) | |
2PE1
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![BU of 2pe1 by Molmil](/molmil-images/mine/2pe1) | CRYSTAL STRUCTURE OF HUMAN PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1 (PDK1) {2-Oxo-3-[1-(1H-pyrrol-2-yl)-eth-(Z)-ylidene]-2,3-dihydro-1H-indol-5-yl}-urea {BX-517} COMPLEX | 分子名称: | 1-{2-OXO-3-[(1R)-1-(1H-PYRROL-2-YL)ETHYL]-2H-INDOL-5-YL}UREA, 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, ... | 著者 | Whitlow, M, Adler, M. | 登録日 | 2007-04-01 | 公開日 | 2007-06-12 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 1: Design, synthesis and biological activity. Bioorg.Med.Chem.Lett., 17, 2007
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2PE0
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![BU of 2pe0 by Molmil](/molmil-images/mine/2pe0) | CRYSTAL STRUCTURE OF HUMAN PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1 (PDK1) 5-Hydroxy-3-[1-(1H-pyrrol-2-yl)-eth-(Z)-ylidene]-1,3-dihydro-indol-2-one COMPLEX | 分子名称: | 3-phosphoinositide-dependent protein kinase 1, 5-HYDROXY-3-[(1R)-1-(1H-PYRROL-2-YL)ETHYL]-2H-INDOL-2-ONE, GLYCEROL, ... | 著者 | Whitlow, M, Adler, M. | 登録日 | 2007-04-01 | 公開日 | 2007-06-12 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 1: Design, synthesis and biological activity. Bioorg.Med.Chem.Lett., 17, 2007
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1B50
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![BU of 1b50 by Molmil](/molmil-images/mine/1b50) | NMR STRUCTURE OF HUMAN MIP-1A D26A, 10 STRUCTURES | 分子名称: | MIP-1A | 著者 | Waltho, J.P, Higgins, L.D, Craven, C.J, Tan, P, Dudgeon, T. | 登録日 | 1999-01-11 | 公開日 | 1999-07-22 | 最終更新日 | 2021-11-03 | 実験手法 | SOLUTION NMR | 主引用文献 | Identification of amino acid residues critical for aggregation of human CC chemokines macrophage inflammatory protein (MIP)-1alpha, MIP-1beta, and RANTES. Characterization of active disaggregated chemokine variants. J.Biol.Chem., 274, 1999
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1M78
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![BU of 1m78 by Molmil](/molmil-images/mine/1m78) | CANDIDA ALBICANS DIHYDROFOLATE REDUCTASE COMPLEXED WITH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE (NADPH) AND 5-CHLORYL-2,4,6-QUINAZOLINETRIAMINE (GW1225) | 分子名称: | 5-CHLORYL-2,4,6-QUINAZOLINETRIAMINE, DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Whitlow, M, Howard, A.J, Kuyper, L.F. | 登録日 | 2002-07-19 | 公開日 | 2003-03-04 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | X-Ray Crystallographic Studies of Candida Albicans Dihydrofolate Reductase. High Resolution Structures of the Holoenzyme and an Inhibited Ternary Complex. J.Biol.Chem., 272, 1997
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1DRA
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1M7A
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![BU of 1m7a by Molmil](/molmil-images/mine/1m7a) | CANDIDA ALBICANS DIHYDROFOLATE REDUCTASE COMPLEXED WITH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE (NADPH) AND 7-[2-methoxy-1-(methoxymethyl)ethyl]-7H-pyrrolo[3,2-f] quinazoline-1,3-diamine (GW557) | 分子名称: | 7-[2-METHOXY-1-(METHOXYMETHYL)ETHYL]-7H-PYRROLO[3,2-F] QUINAZOLINE-1,3-DIAMINE, DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Whitlow, M, Howard, A.J, Kuyper, L.F. | 登録日 | 2002-07-19 | 公開日 | 2003-03-04 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | X-Ray Crystallographic Studies of Candida Albicans Dihydrofolate Reductase. High Resolution Structures of the Holoenzyme and an Inhibited Ternary Complex. J.Biol.Chem., 272, 1997
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1B53
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![BU of 1b53 by Molmil](/molmil-images/mine/1b53) | NMR STRUCTURE OF HUMAN MIP-1A D26A, MINIMIZED AVERAGE STRUCTURE | 分子名称: | MIP-1A | 著者 | Waltho, J.P, Higgins, L.D, Craven, C.J, Tan, P, Dudgeon, T. | 登録日 | 1999-01-11 | 公開日 | 1999-07-22 | 最終更新日 | 2021-11-03 | 実験手法 | SOLUTION NMR | 主引用文献 | Identification of amino acid residues critical for aggregation of human CC chemokines macrophage inflammatory protein (MIP)-1alpha, MIP-1beta, and RANTES. Characterization of active disaggregated chemokine variants. J.Biol.Chem., 274, 1999
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1DRB
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![BU of 1drb by Molmil](/molmil-images/mine/1drb) | |
4G2W
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![BU of 4g2w by Molmil](/molmil-images/mine/4g2w) | Crystal structure of PDE5A in complex with its inhibitor | 分子名称: | 5,6-diethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | 著者 | Ren, J, Chen, T.T, Xu, Y.C. | 登録日 | 2012-07-13 | 公開日 | 2013-06-26 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | 主引用文献 | Design, synthesis, and pharmacological evaluation of monocyclic pyrimidinones as novel inhibitors of PDE5. J.Med.Chem., 55, 2012
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1DYJ
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![BU of 1dyj by Molmil](/molmil-images/mine/1dyj) | ISOMORPHOUS CRYSTAL STRUCTURES OF ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE, 5-DEAZAFOLATE AND 5,10-DIDEAZATETRAHYDROFOLATE: MECHANISTIC IMPLICATIONS | 分子名称: | 5,10-DIDEAZATETRAHYDROFOLIC ACID, CALCIUM ION, CHLORIDE ION, ... | 著者 | Reyes, V.M, Kraut, J. | 登録日 | 1994-10-26 | 公開日 | 1995-06-03 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Isomorphous crystal structures of Escherichia coli dihydrofolate reductase complexed with folate, 5-deazafolate, and 5,10-dideazatetrahydrofolate: mechanistic implications. Biochemistry, 34, 1995
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4G2Y
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![BU of 4g2y by Molmil](/molmil-images/mine/4g2y) | Crystal structure of PDE5A complexed with its inhibitor | 分子名称: | 2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | 著者 | Ren, J, Chen, T.T, Xu, Y.C. | 登録日 | 2012-07-13 | 公開日 | 2013-06-26 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Design, synthesis, and pharmacological evaluation of monocyclic pyrimidinones as novel inhibitors of PDE5. J.Med.Chem., 55, 2012
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3HHU
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![BU of 3hhu by Molmil](/molmil-images/mine/3hhu) | Human heat-shock protein 90 (HSP90) in complex with {4-[3-(2,4-dihydroxy-5-isopropyl-phenyl)-5-thioxo- 1,5-dihydro-[1,2,4]triazol-4-yl]-benzyl}-carbamic acid ethyl ester {ZK 2819} | 分子名称: | Heat shock protein HSP 90-alpha, ethyl (4-{3-[2,4-dihydroxy-5-(1-methylethyl)phenyl]-5-sulfanyl-4H-1,2,4-triazol-4-yl}benzyl)carbamate | 著者 | Adler, M, Whitlow, M. | 登録日 | 2009-05-17 | 公開日 | 2009-07-14 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Potent triazolothione inhibitor of heat-shock protein-90. Chem.Biol.Drug Des., 74, 2009
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1M79
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![BU of 1m79 by Molmil](/molmil-images/mine/1m79) | Candida albicans Dihydrofolate Reductase Complexed with Dihydro-Nicotinamide-Adenine-Dinucleotide Phosphate (NADPH) and 5-(4-methoxyphenoxy)-2,4-quinazolinediamine (GW1466) | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(4-METHOXYPHENOXY)-2,4-QUINAZOLINEDIAMINE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Whitlow, M, Howard, A.J, Kuyper, L.F. | 登録日 | 2002-07-19 | 公開日 | 2003-03-04 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | X-Ray Crystallographic Studies of Candida Albicans Dihydrofolate Reductase. High Resolution Structures of the Holoenzyme and an Inhibited Ternary Complex J.Biol.Chem., 272, 1997
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1DYH
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![BU of 1dyh by Molmil](/molmil-images/mine/1dyh) | ISOMORPHOUS CRYSTAL STRUCTURES OF ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE, 5-DEAZAFOLATE AND 5,10-DIDEAZATETRAHYDROFOLATE: MECHANISTIC IMPLICATIONS | 分子名称: | 5-DEAZAFOLIC ACID, CALCIUM ION, CHLORIDE ION, ... | 著者 | Reyes, V.M, Kraut, J. | 登録日 | 1994-10-26 | 公開日 | 1995-06-03 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Isomorphous crystal structures of Escherichia coli dihydrofolate reductase complexed with folate, 5-deazafolate, and 5,10-dideazatetrahydrofolate: mechanistic implications. Biochemistry, 34, 1995
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1DYI
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![BU of 1dyi by Molmil](/molmil-images/mine/1dyi) | ISOMORPHOUS CRYSTAL STRUCTURES OF ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE, 5-DEAZAFOLATE AND 5,10-DIDEAZATETRAHYDROFOLATE: MECHANISTIC IMPLICATIONS | 分子名称: | CALCIUM ION, CHLORIDE ION, DIHYDROFOLATE REDUCTASE, ... | 著者 | Reyes, V.M, Kraut, J. | 登録日 | 1994-10-26 | 公開日 | 1995-06-03 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Isomorphous crystal structures of Escherichia coli dihydrofolate reductase complexed with folate, 5-deazafolate, and 5,10-dideazatetrahydrofolate: mechanistic implications. Biochemistry, 34, 1995
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1MOZ
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![BU of 1moz by Molmil](/molmil-images/mine/1moz) | ADP-ribosylation factor-like 1 (ARL1) from Saccharomyces cerevisiae | 分子名称: | ADP-ribosylation factor-like protein 1, GUANOSINE-5'-DIPHOSPHATE | 著者 | Amor, J.C, Horton, J.R, Zhu, X, Wang, Y, Sullards, C, Ringe, D, Cheng, X, Kahn, R.A. | 登録日 | 2002-09-10 | 公開日 | 2002-10-09 | 最終更新日 | 2017-10-11 | 実験手法 | X-RAY DIFFRACTION (3.17 Å) | 主引用文献 | Structures of Yeast ARF2 and ARL1:
DISTINCT ROLES FOR THE N TERMINUS IN THE STRUCTURE
AND FUNCTION OF ARF FAMILY GTPases J.Biol.Chem., 276, 2001
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4E2A
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![BU of 4e2a by Molmil](/molmil-images/mine/4e2a) | |
1CD2
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![BU of 1cd2 by Molmil](/molmil-images/mine/1cd2) | LIGAND INDUCED CONFORMATIONAL CHANGES IN THE CRYSTAL STRUCTURES OF PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE COMPLEXES WITH FOLATE AND NADP+ | 分子名称: | DIHYDROFOLATE REDUCTASE, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Blakley, R.L, Gangjee, A. | 登録日 | 1999-03-05 | 公開日 | 2000-03-06 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Ligand-induced conformational changes in the crystal structures of Pneumocystis carinii dihydrofolate reductase complexes with folate and NADP+. Biochemistry, 38, 1999
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1AOE
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![BU of 1aoe by Molmil](/molmil-images/mine/1aoe) | CANDIDA ALBICANS DIHYDROFOLATE REDUCTASE COMPLEXED WITH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE (NADPH) AND 1,3-DIAMINO-7-(1-ETHYEPROPYE)-7H-PYRRALO-[3,2-F]QUINAZOLINE (GW345) | 分子名称: | 7-(1-ETHYL-PROPYL)-7H-PYRROLO-[3,2-F]QUINAZOLINE-1,3-DIAMINE, DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Whitlow, M, Howard, A.J, Stewart, D. | 登録日 | 1997-07-02 | 公開日 | 1998-01-07 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | X-ray crystallographic studies of Candida albicans dihydrofolate reductase. High resolution structures of the holoenzyme and an inhibited ternary complex. J.Biol.Chem., 272, 1997
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4EZ5
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![BU of 4ez5 by Molmil](/molmil-images/mine/4ez5) | CDK6 (monomeric) in complex with inhibitor | 分子名称: | Cyclin-dependent kinase 6, {5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl}[2-(isoquinolin-4-yl)pyridin-4-yl]methanone | 著者 | Chopra, R, Xu, M. | 登録日 | 2012-05-02 | 公開日 | 2013-02-06 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Fragment-Based Discovery of 7-Azabenzimidazoles as Potent, Highly Selective, and Orally Active CDK4/6 Inhibitors. ACS Med Chem Lett, 3, 2012
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185D
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![BU of 185d by Molmil](/molmil-images/mine/185d) | |
3DT3
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![BU of 3dt3 by Molmil](/molmil-images/mine/3dt3) | |