6FA3
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![BU of 6fa3 by Molmil](/molmil-images/mine/6fa3) | Antibody derived (Abd-6) small molecule binding to KRAS. | 分子名称: | DIMETHYL SULFOXIDE, GTPase KRas, MAGNESIUM ION, ... | 著者 | Quevedo, C.E, Cruz-Migoni, A, Ehebauer, M.T, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H. | 登録日 | 2017-12-15 | 公開日 | 2018-08-22 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Small molecule inhibitors of RAS-effector protein interactions derived using an intracellular antibody fragment. Nat Commun, 9, 2018
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6FA2
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![BU of 6fa2 by Molmil](/molmil-images/mine/6fa2) | Antibody derived (Abd-5) small molecule binding to KRAS. | 分子名称: | 4-[2-(dimethylamino)ethoxy]-~{N}-[[(3~{R})-5-(6-methoxypyridin-2-yl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide, GTPase KRas, MAGNESIUM ION, ... | 著者 | Quevedo, C.E, Cruz-Migoni, A, Ehebauer, M.T, Carr, S.B, Phillips, S.V.E, Rabbitts, T.H. | 登録日 | 2017-12-15 | 公開日 | 2018-09-05 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Small molecule inhibitors of RAS-effector protein interactions derived using an intracellular antibody fragment. Nat Commun, 9, 2018
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6FA4
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![BU of 6fa4 by Molmil](/molmil-images/mine/6fa4) | Antibody derived (Abd-7) small molecule binding to KRAS. | 分子名称: | 6-(2,3-dihydro-1,4-benzodioxin-5-yl)-~{N}-[4-[(dimethylamino)methyl]phenyl]-2-methoxy-pyridin-3-amine, GTPase KRas, MAGNESIUM ION, ... | 著者 | Quevedo, C.E, Cruz-Migoni, A, Ehebauer, M.T, Carr, S.B, Phillips, S.V.E, Rabbitts, T.H. | 登録日 | 2017-12-15 | 公開日 | 2018-08-22 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | Small molecule inhibitors of RAS-effector protein interactions derived using an intracellular antibody fragment. Nat Commun, 9, 2018
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6FA1
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![BU of 6fa1 by Molmil](/molmil-images/mine/6fa1) | Antibody derived (Abd-4) small molecule binding to KRAS. | 分子名称: | 2-[4-[[(3~{R})-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]phenoxy]ethyl-dimethyl-azanium, GTPase KRas, MAGNESIUM ION, ... | 著者 | Quevedo, C.E, Cruz-Migoni, A, Ehebauer, M.T, Carr, S.B, Phillips, S.V.E, Rabbitts, T.H. | 登録日 | 2017-12-15 | 公開日 | 2018-08-22 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Small molecule inhibitors of RAS-effector protein interactions derived using an intracellular antibody fragment. Nat Commun, 9, 2018
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2NNE
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![BU of 2nne by Molmil](/molmil-images/mine/2nne) | The Structural Identification of the Interaction Site and Functional State of RBP for its Membrane Receptor | 分子名称: | CADMIUM ION, GLYCEROL, Major urinary protein 2 | 著者 | Redondo, C, Bingham, R.J, Vouropoulou, M, Homans, S.W, Findlay, J.B. | 登録日 | 2006-10-24 | 公開日 | 2007-10-30 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Identification of the retinol-binding protein (RBP) interaction site and functional state of RBPs for the membrane receptor. Faseb J., 22, 2008
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2NND
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![BU of 2nnd by Molmil](/molmil-images/mine/2nnd) | The Structural Identification of the Interaction Site and Functional State of RBP for its Membrane Receptor | 分子名称: | 2-ISOBUTYL-3-METHOXYPYRAZINE, CADMIUM ION, Major urinary protein 2 | 著者 | Redondo, C, Bingham, R.J, Vouropoulou, M, Homans, S.W, Findlay, J.B. | 登録日 | 2006-10-24 | 公開日 | 2007-10-30 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Identification of the retinol-binding protein (RBP) interaction site and functional state of RBPs for the membrane receptor. Faseb J., 22, 2008
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1EC6
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![BU of 1ec6 by Molmil](/molmil-images/mine/1ec6) | CRYSTAL STRUCTURE OF NOVA-2 KH3 K-HOMOLOGY RNA-BINDING DOMAIN BOUND TO 20-MER RNA HAIRPIN | 分子名称: | 20-MER RNA HAIRPIN, RNA-BINDING PROTEIN NOVA-2 | 著者 | Lewis, H.A, Musunuru, K, Jensen, K.B, Edo, C, Chen, H. | 登録日 | 2000-01-25 | 公開日 | 2000-02-21 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Sequence-specific RNA binding by a Nova KH domain: implications for paraneoplastic disease and the fragile X syndrome. Cell(Cambridge,Mass.), 100, 2000
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1DTJ
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![BU of 1dtj by Molmil](/molmil-images/mine/1dtj) | CRYSTAL STRUCTURE OF NOVA-2 KH3 K-HOMOLOGY RNA-BINDING DOMAIN | 分子名称: | RNA-BINDING NEUROONCOLOGICAL VENTRAL ANTIGEN 2 | 著者 | Lewis, H.A, Chen, H, Edo, C, Buckanovich, R.J, Yang, Y.Y.L, Musunuru, K, Zhong, R, Darnell, R.B, Burley, S.K. | 登録日 | 2000-01-12 | 公開日 | 2000-02-18 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structures of Nova-1 and Nova-2 K-homology RNA-binding domains. Structure Fold.Des., 7, 1999
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1DT4
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![BU of 1dt4 by Molmil](/molmil-images/mine/1dt4) | CRYSTAL STRUCTURE OF NOVA-1 KH3 K-HOMOLOGY RNA-BINDING DOMAIN | 分子名称: | NEURO-ONCOLOGICAL VENTRAL ANTIGEN 1 | 著者 | Lewis, H.A, Chen, H, Edo, C, Buckanovich, R.J, Yang, Y.Y.L. | 登録日 | 2000-01-11 | 公開日 | 2000-02-11 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Crystal structures of Nova-1 and Nova-2 K-homology RNA-binding domains. Structure Fold.Des., 7, 1999
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1FI4
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![BU of 1fi4 by Molmil](/molmil-images/mine/1fi4) | THE X-RAY CRYSTAL STRUCTURE OF MEVALONATE 5-DIPHOSPHATE DECARBOXYLASE AT 2.3 ANGSTROM RESOLUTION. | 分子名称: | MEVALONATE 5-DIPHOSPHATE DECARBOXYLASE | 著者 | Bonanno, J.B, Edo, C, Eswar, N, Pieper, U, Romanowski, M.J, Ilyin, V, Gerchman, S.E, Kycia, H, Studier, F.W, Sali, A, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | 登録日 | 2000-08-03 | 公開日 | 2001-03-21 | 最終更新日 | 2021-02-03 | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | 主引用文献 | Structural genomics of enzymes involved in sterol/isoprenoid biosynthesis. Proc.Natl.Acad.Sci.USA, 98, 2001
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1I9A
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![BU of 1i9a by Molmil](/molmil-images/mine/1i9a) | STRUCTURAL STUDIES OF CHOLESTEROL BIOSYNTHESIS: MEVALONATE 5-DIPHOSPHATE DECARBOXYLASE AND ISOPENTENYL DIPHOSPHATE ISOMERASE | 分子名称: | ISOPENTENYL-DIPHOSPHATE DELTA-ISOMERASE, MANGANESE (II) ION | 著者 | Bonanno, J.B, Edo, C, Eswar, N, Pieper, U, Romanowski, M.J, Ilyin, V, Gerchman, S.E, Kycia, H, Studier, F.W, Sali, A, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | 登録日 | 2001-03-18 | 公開日 | 2001-03-28 | 最終更新日 | 2021-02-03 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural genomics of enzymes involved in sterol/isoprenoid biosynthesis. Proc.Natl.Acad.Sci.USA, 98, 2001
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6S11
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![BU of 6s11 by Molmil](/molmil-images/mine/6s11) | Crystal Structure of DYRK1A with small molecule inhibitor | 分子名称: | 6-pyridin-4-yl-3-[3-(trifluoromethyloxy)phenyl]imidazo[1,2-b]pyridazine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 著者 | Sorrell, F.J, Henderson, S.H, Redondo, C, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Elkins, J.M. | 登録日 | 2019-06-18 | 公開日 | 2019-06-26 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.445 Å) | 主引用文献 | Kinase Scaffold Repurposing in the Public Domain To be published
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6S1I
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![BU of 6s1i by Molmil](/molmil-images/mine/6s1i) | Crystal Structure of DYRK1A with small molecule inhibitor | 分子名称: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, SULFATE ION, TETRAETHYLENE GLYCOL, ... | 著者 | Sorrell, F.J, Henderson, S.H, Redondo, C, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Elkins, J.M. | 登録日 | 2019-06-18 | 公開日 | 2019-06-26 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | Mining Public Domain Data to Develop Selective DYRK1A Inhibitors. Acs Med.Chem.Lett., 11, 2020
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5MXX
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![BU of 5mxx by Molmil](/molmil-images/mine/5mxx) | Crystal structure of human SR protein kinase 1 (SRPK1) in complex with compound 1 | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-methyl-~{N}-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carboxamide, ... | 著者 | Tallant, C, Redondo, C, Batson, J, Toop, H.D, Babaebi-Jadidib, R, Savitsky, P, Elkins, J.M, Newman, J.A, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bates, D.O, Morris, J.C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2017-01-25 | 公開日 | 2017-05-24 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Development of Potent, Selective SRPK1 Inhibitors as Potential Topical Therapeutics for Neovascular Eye Disease. ACS Chem. Biol., 12, 2017
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5I69
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![BU of 5i69 by Molmil](/molmil-images/mine/5i69) | MBP-MamC magnetite-interaction component mutant-D70A | 分子名称: | Maltose-binding periplasmic protein,Tightly bound bacterial magnetic particle protein,Maltose-binding periplasmic protein, SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | 著者 | Nudelman, H, Tercedor, C.V, Kolusheva, S, Gonzalez, T.P, Widdrat, M, Grimberg, N, Levi, H, Nelkenbaum, O, Davidove, G, Faivre, D, Jimenez-Lopez, C, Zarivach, R. | 登録日 | 2016-02-16 | 公開日 | 2016-03-23 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structure-function studies of the magnetite-biomineralizing magnetosome-associated protein MamC. J.Struct.Biol., 194, 2016
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4THN
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![BU of 4thn by Molmil](/molmil-images/mine/4thn) | THE CRYSTAL STRUCTURE OF ALPHA-THROMBIN-HIRUNORM IV COMPLEX REVEALS A NOVEL SPECIFICITY SITE RECOGNITION MODE. | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN, HIRUNORM IV | 著者 | Lombardi, A, De Simone, G, Nastri, F, Galdiero, S, Della Morte, R, Staiano, N, Pedone, C, Bolognesi, M, Pavone, V. | 登録日 | 1998-09-18 | 公開日 | 1999-06-15 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | The crystal structure of alpha-thrombin-hirunorm IV complex reveals a novel specificity site recognition mode. Protein Sci., 8, 1999
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5GDS
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![BU of 5gds by Molmil](/molmil-images/mine/5gds) | HIRUNORMS ARE TRUE HIRUDIN MIMETICS. THE CRYSTAL STRUCTURE OF HUMAN ALPHA-THROMBIN:HIRUNORM V COMPLEX | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN, HIRUNORM V | 著者 | De Simone, G, Lombardi, A, Galdiero, S, Nastri, F, Della Morte, R, Staiano, N, Pedone, C, Bolognesi, M, Pavone, V. | 登録日 | 1997-07-17 | 公開日 | 1998-01-21 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Hirunorms are true hirudin mimetics. The crystal structure of human alpha-thrombin-hirunorm V complex. Protein Sci., 7, 1998
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6S1J
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![BU of 6s1j by Molmil](/molmil-images/mine/6s1j) | Crystal Structure of DYRK1A with small molecule inhibitor | 分子名称: | 1,2-ETHANEDIOL, 3-[2-[(3~{S})-3-fluoranylpyrrolidin-1-yl]pyrimidin-4-yl]pyrazolo[1,5-b]pyridazine, DIMETHYL SULFOXIDE, ... | 著者 | Sorrell, F.J, Henderson, S.H, Redondo, C, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Elkins, J.M. | 登録日 | 2019-06-18 | 公開日 | 2019-06-26 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.408 Å) | 主引用文献 | Kinase Scaffold Repurposing in the Public Domain To be published
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6S14
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![BU of 6s14 by Molmil](/molmil-images/mine/6s14) | Crystal Structure of DYRK1A with small molecule inhibitor | 分子名称: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, SULFATE ION, ~{N}-cyclopropyl-~{N}-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine | 著者 | Sorrell, F.J, Henderson, S.H, Redondo, C, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Elkins, J.M. | 登録日 | 2019-06-18 | 公開日 | 2019-06-26 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | 主引用文献 | Kinase Scaffold Repurposing in the Public Domain To be published
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6S17
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![BU of 6s17 by Molmil](/molmil-images/mine/6s17) | Crystal Structure of DYRK1A with small molecule inhibitor | 分子名称: | 1,2-ETHANEDIOL, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, SULFATE ION, ... | 著者 | Sorrell, F.J, Henderson, S.H, Redondo, C, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Elkins, J.M. | 登録日 | 2019-06-18 | 公開日 | 2019-06-26 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Kinase Scaffold Repurposing in the Public Domain To be published
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6S1H
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![BU of 6s1h by Molmil](/molmil-images/mine/6s1h) | Crystal Structure of DYRK1A with small molecule inhibitor | 分子名称: | 1,2-ETHANEDIOL, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, SULFATE ION, ... | 著者 | Sorrell, F.J, Henderson, S.H, Redondo, C, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Elkins, J.M. | 登録日 | 2019-06-18 | 公開日 | 2019-06-26 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | 主引用文献 | Kinase Scaffold Repurposing in the Public Domain To be published
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6S1B
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![BU of 6s1b by Molmil](/molmil-images/mine/6s1b) | Crystal Structure of DYRK1A with small molecule inhibitor | 分子名称: | 1,2-ETHANEDIOL, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, SULFATE ION, ... | 著者 | Sorrell, F.J, Henderson, S.H, Redondo, C, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Elkins, J.M. | 登録日 | 2019-06-18 | 公開日 | 2019-06-26 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Kinase Scaffold Repurposing in the Public Domain To be published
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6F76
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![BU of 6f76 by Molmil](/molmil-images/mine/6f76) | Antibody derived (Abd-8) small molecule binding to KRAS. | 分子名称: | 4-(2,3-dihydro-1,4-benzodioxin-5-yl)-~{N}-[3-[(dimethylamino)methyl]phenyl]-2-methoxy-aniline, GTPase KRas, MAGNESIUM ION, ... | 著者 | Bery, N, Cruz-Migoni, A, Quevedo, C.E, Phillips, S.V.E, Carr, S, Rabbitts, T.H. | 登録日 | 2017-12-07 | 公開日 | 2018-08-08 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | BRET-based RAS biosensors that show a novel small molecule is an inhibitor of RAS-effector protein-protein interactions. Elife, 7, 2018
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6GQW
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![BU of 6gqw by Molmil](/molmil-images/mine/6gqw) | KRAS-169 Q61H GPPNHP + CH-1 | 分子名称: | GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | 著者 | Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H. | 登録日 | 2018-06-08 | 公開日 | 2019-02-06 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6GQY
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![BU of 6gqy by Molmil](/molmil-images/mine/6gqy) | KRAS-169 Q61H GPPNHP + CH-3 | 分子名称: | GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | 著者 | Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Phillips, S.V.E, Rabbitts, T.H. | 登録日 | 2018-06-08 | 公開日 | 2019-02-06 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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