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2VAG
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Crystal structure of di-phosphorylated human CLK1 in complex with a novel substituted indole inhibitor
分子名称: DUAL SPECIFICITY PROTEIN KINASE CLK1, ethyl 3-[(E)-2-amino-1-cyanoethenyl]-6,7-dichloro-1-methyl-1H-indole-2-carboxylate
著者Pike, A.C.W, Bullock, A.N, Fedorov, O, Pilka, E.S, Ugochukwu, E, von Delft, F, Edwards, A, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Huber, K, Bracher, F, Knapp, S.
登録日2007-08-31
公開日2007-10-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Specific Clk Inhibitors from a Novel Chemotype for Regulation of Alternative Splicing.
Chem.Biol, 18, 2011
2XKC
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Structure of Nek2 bound to aminopyrazine compound 14
分子名称: 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-methylbenzoic acid, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK2
著者Mas-Droux, C, Bayliss, R.
登録日2010-07-07
公開日2010-10-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Aminopyrazine Inhibitors Binding to an Unusual Inactive Conformation of the Mitotic Kinase Nek2: Sar and Structural Characterization.
J.Med.Chem., 53, 2010
2XNN
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Structure of Nek2 bound to CCT242430
分子名称: 1,2-ETHANEDIOL, 5-(1H-benzimidazol-1-yl)-3-{(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy}thiophene-2-carboxamide, CHLORIDE ION, ...
著者Mas-Droux, C, Bayliss, R.
登録日2010-08-05
公開日2011-03-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Benzimidazole Inhibitors Induce a Dfg-Out Conformation of Never in Mitosis Gene A-Related Kinase 2 (Nek2) without Binding to the Back Pocket and Reveal a Nonlinear Structure-Activity Relationship.
J.Med.Chem., 54, 2011
2XCH
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Crystal structure of PDK1 in complex with a pyrazoloquinazoline inhibitor
分子名称: 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE 1, 8-(CYCLOHEXA-2,5-DIEN-1-YLIDENEAMINO)-1-(PIPERIDIN-4-YLMETHYL)-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE, GLYCEROL, ...
著者Angiolini, M, Banfi, P, Casale, E, Casuscelli, F, Fiorelli, C, Saccardo, M.B, Silvagni, M, Zuccotto, F.
登録日2010-04-23
公開日2010-07-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Based Optimization of Potent Pdk1 Inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
1JPO
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LOW TEMPERATURE ORTHORHOMBIC LYSOZYME
分子名称: LYSOZYME
著者Bradbrook, G.M, Helliwell, J.R, Habash, J.
登録日1997-07-03
公開日1997-11-12
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Time-Resolved Biological and Perturbation Chemical Crystallography: Laue and Monochromatic Developments
Time-Resolved Electron and X-Ray Diffraction; 13-14 July 1995, San Diego, California (in: Proc.Spie-Int.Soc.Opt.Eng., V.2521), 1995
1JIA
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STRUCTURE OF A BASIC PHOSPHOLIPASE A2 FROM AGKISTRODON HALYS PALLAS AT 2.13A RESOLUTION
分子名称: CALCIUM ION, PHOSPHOLIPASE A2
著者Zhao, K, Lin, Z.
登録日1997-06-09
公開日1998-06-10
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Structure of a basic phospholipase A2 from Agkistrodon halys Pallas at 2.13 A resolution.
Acta Crystallogr.,Sect.D, 54, 1998
1JCV
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REDUCED BRIDGE-BROKEN YEAST CU/ZN SUPEROXIDE DISMUTASE LOW TEMPERATURE (-180C) STRUCTURE
分子名称: COPPER (II) ION, CU/ZN SUPEROXIDE DISMUTASE, ZINC ION
著者Ogihara, N.L, Parge, H.E, Hart, P.J, Weiss, M.S, Valentine, J.S, Eisenberg, D.S, Tainer, J.A.
登録日1995-12-07
公開日1996-03-08
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Unusual trigonal-planar copper configuration revealed in the atomic structure of yeast copper-zinc superoxide dismutase.
Biochemistry, 35, 1996
1S83
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PORCINE TRYPSIN COMPLEXED WITH 4-AMINO PROPANOL
分子名称: 4-HYDROXYBUTAN-1-AMINIUM, CALCIUM ION, MAGNESIUM ION, ...
著者Transue, T.R, Krahn, J.M, Gabel, S.A, DeRose, E.F, London, R.E.
登録日2004-01-30
公開日2004-03-16
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献X-ray and NMR characterization of covalent complexes of trypsin, borate, and alcohols.
Biochemistry, 43, 2004
1JIM
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STEREOSPECIFIC REACTION OF 3-METHOXY-4-CHLORO-7-AMINOISOCOUMARIN WITH CRYSTALLINE PORCINE PANCREATIC ELASTASE
分子名称: METHYL(2-ACETOXY-2-(2-CARBOXY-4-AMINO-PHENYL))ACETATE, PORCINE PANCREATIC ELASTASE, SULFATE ION
著者Meyer, E.
登録日1993-03-19
公開日1994-01-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Stereospecific Reaction of 3-Methoxy-4-Chloro-7-Aminoisocoumarin with Crystalline Porcine Pancreatic Elastase
J.Am.Chem.Soc., 107, 1985
1JHL
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THREE-DIMENSIONAL STRUCTURE OF A HETEROCLITIC ANTIGEN-ANTIBODY CROSS-REACTION COMPLEX
分子名称: IGG1-KAPPA D11.15 FV (HEAVY CHAIN), IGG1-KAPPA D11.15 FV (LIGHT CHAIN), PHEASANT EGG WHITE LYSOZYME
著者Chitarra, V, Alzari, P.M, Bentley, G.A, Bhat, T.N, Eisele, J.-L, Poljak, R.J.
登録日1993-05-04
公開日1994-01-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Three-dimensional structure of a heteroclitic antigen-antibody cross-reaction complex.
Proc.Natl.Acad.Sci.USA, 90, 1993
1JRT
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HEMIACETAL COMPLEX BETWEEN LEUPEPTIN AND TRYPSIN
分子名称: CALCIUM ION, LEUPEPTIN, TRYPSIN
著者Kurinov, I.V, Harrison, R.W.
登録日1996-02-07
公開日1996-10-14
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Two crystal structures of the leupeptin-trypsin complex.
Protein Sci., 5, 1996
1JRS
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HEMIACETAL COMPLEX BETWEEN LEUPEPTIN AND TRYPSIN
分子名称: CALCIUM ION, Leupeptin, TRYPSIN
著者Kurinov, I.V, Harrison, R.W.
登録日1996-02-07
公開日1996-10-14
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Two crystal structures of the leupeptin-trypsin complex.
Protein Sci., 5, 1996
3FYK
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Crystal structure of a benzthiophene lead bound to MAPKAP Kinase-2 (MK-2)
分子名称: (3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-5H-[1]benzothieno[3,2-e][1,4]diazepin-5-one, MAP kinase-activated protein kinase 2
著者Kurumbail, R.G, Caspers, N.
登録日2009-01-22
公開日2009-04-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Benzothiophene inhibitors of MK2. Part 2: improvements in kinase selectivity and cell potency.
Bioorg.Med.Chem.Lett., 19, 2009
1K58
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Crystal Structure of Human Angiogenin Variant D116H
分子名称: Angiogenin
著者Leonidas, D.D, Shapiro, R, Subbarao, G.V, Russo, A, Acharya, K.R.
登録日2001-10-10
公開日2002-03-20
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystallographic studies on the role of the C-terminal segment of human angiogenin in defining enzymatic potency.
Biochemistry, 41, 2002
1K6T
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LACK OF SYNERGY FOR INHIBITORS TARGETING A MULTI-DRUG RESISTANT HIV-1 PROTEASE
分子名称: ACETATE ION, N-[2-HYDROXY-1-INDANYL]-5-[(2-TERTIARYBUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4-HYDROXY-2-(1-PHENYLETHYL)-PEN TANAMIDE, POL polyprotein
著者Schiffer, C.A.
登録日2001-10-17
公開日2002-02-06
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Lack of synergy for inhibitors targeting a multi-drug-resistant HIV-1 protease.
Protein Sci., 11, 2002
3VBV
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Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design
分子名称: 8-hydroxyquinoline-2-carboxamide, Serine/threonine-protein kinase pim-1
著者Liu, J.
登録日2012-01-02
公開日2012-03-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design.
J.Med.Chem., 55, 2012
1VRE
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BU of 1vre by Molmil
SOLUTION STRUCTURE OF COMPONENT IV GLYCERA DIBRANCHIATA MONOMERIC HEMOGLOBIN-CO
分子名称: CARBON MONOXIDE, PROTEIN (GLOBIN, MONOMERIC COMPONENT M-IV), ...
著者Volkman, B.F, Alam, S.L, Satterlee, J.D, Markley, J.L.
登録日1999-03-25
公開日1999-04-02
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Solution structure and backbone dynamics of component IV Glycera dibranchiata monomeric hemoglobin-CO.
Biochemistry, 37, 1998
2XEY
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Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
分子名称: 3-(1H-INDOL-3-YL)-6-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZINE, SERINE/THREONINE-PROTEIN KINASE CHK1
著者Matthews, T.P, McHardy, T, Klair, S, Boxall, K, Fisher, M, Cherry, M, Allen, C.E, Addison, G.J, Ellard, J, Aherne, G.W, Westwood, I.M, van Montfort, R, Garrett, M.D, Reader, J.C, Collins, I.
登録日2010-05-19
公開日2010-06-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Design and Evaluation of 3,6-Di(Hetero)Aryl Imidazo[1,2-A]Pyrazines as Inhibitors of Checkpoint and Other Kinases.
Bioorg.Med.Chem.Lett., 20, 2010
2DGU
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Solution structure of the RNA binding domain in Heterogeneous nuclear ribonucleoprotein Q
分子名称: Heterogeneous nuclear ribonucleoprotein Q
著者Abe, C, Muto, Y, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2006-03-15
公開日2006-09-15
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of the RNA binding domain in Heterogeneous nuclear ribonucleoprotein Q
To be Published
2DH7
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Solution structure of the second RNA binding domain in Nucleolysin TIAR
分子名称: Nucleolysin TIAR
著者Imai, T, Tsuda, K, Muto, Y, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2006-03-23
公開日2006-09-23
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of the second RNA binding domain in Nucleolysin TIAR
To be Published
2XM9
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Structure of a small molecule inhibitor with the kinase domain of Chk2
分子名称: 4-(1H-pyrazol-5-yl)-2-{4-[(3S)-pyrrolidin-3-ylamino]quinazolin-2-yl}phenol, NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2
著者Caldwell, J.J, Welsh, E.J, Matijssen, C, Anderson, V.E, Antoni, L, Boxall, K, Urban, F, Hayes, A, Raynaud, F.I, Rigoreau, L.J, Raynham, T, Aherne, G.W, Pearl, L.H, Oliver, A.W, Garrett, M.D, Collins, I.
登録日2010-07-26
公開日2011-01-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-Based Design of Potent and Selective 2-(Quinazolin-2-Yl)Phenol Inhibitors of Checkpoint Kinase 2.
J.Med.Chem., 54, 2011
2DUJ
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Crystal structure of the complex formed between proteinase K and a synthetic peptide Leu-Leu-Phe-Asn-Asp at 1.67 A resolution
分子名称: CALCIUM ION, LLFND, NITRATE ION, ...
著者Singh, A.K, Singh, N, Somvanshi, R.K, Gupta, D, Sharma, S, Singh, T.P.
登録日2006-07-23
公開日2006-08-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Crystal structure of the complex of proteinase K with a specific lactoferrin peptide Val-Leu-Leu-His at 1.93 A resolution
To be Published
3GI3
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BU of 3gi3 by Molmil
Crystal structure of a N-Phenyl-N'-Naphthylurea analog in complex with p38 MAP kinase
分子名称: Mitogen-activated protein kinase 14, N-{5-tert-butyl-2-methoxy-3-[({4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]naphthalen-1-yl}carbamoyl)amino]phenyl}methanesulfonamide
著者Qian, K.C.
登録日2009-03-05
公開日2009-10-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery and characterization of the N-phenyl-N'-naphthylurea class of p38 kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
2DJ3
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The solution structure of the third thioredoxin domain of mouse Protein disulfide-isomerase A4
分子名称: Protein disulfide-isomerase A4
著者Tochio, N, Sato, M, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2006-03-30
公開日2006-09-30
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献The solution structure of the third thioredoxin domain of mouse Protein disulfide-isomerase A4
To be Published
3GGF
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Crystal structure of human Serine/threonine-protein kinase MST4 in complex with an quinazolin
分子名称: CADMIUM ION, Serine/threonine-protein kinase MST4, [4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)AMINO]QUINAZOLIN-2-YL}IMINO)CYCLOHEXA-2,5-DIEN-1-YL]ACETONITRILE
著者Chaikuad, A, Rellos, P, Eidarus, S, Das, S, Pike, A.C.W, Sethi, R, Fedorov, O, Savitsky, P, Roos, A.K, Filippakopoulos, P, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC)
登録日2009-02-27
公開日2009-03-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural comparison of human mammalian ste20-like kinases
Plos One, 5, 2010

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