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2R5T
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BU of 2r5t by Molmil
Crystal Structure of Inactive Serum and Glucocorticoid- Regulated Kinase 1 in Complex with AMP-PNP
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION, ...
Authors:Zhao, B, Lehr, R, Smallwood, A.M, Ho, T.F, Maley, K, Randall, T, Head, M.S, Koretke, K.K, Schnackenberg, C.G.
Deposit date:2007-09-04
Release date:2008-09-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the kinase domain of serum and glucocorticoid-regulated kinase 1 in complex with AMP PNP.
Protein Sci., 16, 2007
1X7A
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BU of 1x7a by Molmil
Porcine Factor IXa Complexed to 1-{3-[amino(imino)methyl]phenyl}-N-[4-(1H-benzimidazol-1-yl)-2-fluorophenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
Descriptor: 1-{3-[AMINO(IMINO)METHYL]PHENYL}-N-[4-(1H-BENZIMIDAZOL-1-YL)-2-FLUOROPHENYL]-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-CARBOXAMIDE, Coagulation Factor IX, light chain, ...
Authors:Alexander, R.S, Smallwood, A.M, Smallheer, J.M, Wang, J, Wang, S, Nakajima, S, Rossi, K.A, Barbera, F, Burdick, D, Luettgen, J.M.
Deposit date:2004-08-13
Release date:2005-08-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:SAR and factor IXa crystal structure of a dual inhibitor of factors IXa and Xa
Bioorg.Med.Chem.Lett., 14, 2004
1HFC
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BU of 1hfc by Molmil
1.56 ANGSTROM STRUCTURE OF MATURE TRUNCATED HUMAN FIBROBLAST COLLAGENASE
Descriptor: CALCIUM ION, FIBROBLAST COLLAGENASE, METHYLAMINO-PHENYLALANYL-LEUCYL-HYDROXAMIC ACID, ...
Authors:Spurlino, J.C, Smith, D.L.
Deposit date:1994-09-13
Release date:1995-01-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:1.56 A structure of mature truncated human fibroblast collagenase.
Proteins, 19, 1994
3SHI
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BU of 3shi by Molmil
Crystal structure of human MMP1 catalytic domain at 2.2 A resolution
Descriptor: CALCIUM ION, Interstitial collagenase, ZINC ION
Authors:Bertini, I, Calderone, V, Cerofolini, L, Fragai, M, Geraldes, C.F.G.C, Hermann, P, Luchinat, C, Parigi, G, Teixeira, J.
Deposit date:2011-06-16
Release date:2011-09-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The catalytic domain of MMP-1 studied through tagged lanthanides.
Febs Lett., 586, 2012
2B55
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BU of 2b55 by Molmil
Human cyclin dependent kinase 2 (cdk2) complexed with indenopyraxole DIN-101312
Descriptor: 2-(4-(AMINOMETHYL)PIPERIDIN-1-YL)-N-(3_CYCLOHEXYL-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)ACETAMIDE, Cell division protein kinase 2
Authors:Muckelbauer, J.
Deposit date:2005-09-27
Release date:2005-10-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Synthesis and Evaluation of Indenopyrazoles as Cyclin-Dependent Kinase Inhibitors. 3. Structure Activity Relationships at C3
J.Med.Chem., 45, 2002
4L04
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BU of 4l04 by Molmil
Crystal Structure Analysis of human IDH1 mutants in complex with NADP+ and Ca2+/alpha-Ketoglutarate
Descriptor: 2-OXOGLUTARIC ACID, CALCIUM ION, Isocitrate dehydrogenase [NADP] cytoplasmic, ...
Authors:Concha, N.O, Smallwood, A.M.
Deposit date:2013-05-30
Release date:2013-07-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Mutant IDH1 Enhances the Production of 2-Hydroxyglutarate Due to Its Kinetic Mechanism.
Biochemistry, 52, 2013
4KZO
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BU of 4kzo by Molmil
Crystal Structure Analysis of human IDH1 mutants in complex with NADP+ and Ca2+/alpha-Ketoglutarate
Descriptor: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, CALCIUM ION, ...
Authors:Concha, N.O, Smallwood, A.M.
Deposit date:2013-05-30
Release date:2013-07-17
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (2.204 Å)
Cite:Mutant IDH1 Enhances the Production of 2-Hydroxyglutarate Due to Its Kinetic Mechanism.
Biochemistry, 52, 2013
4L06
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BU of 4l06 by Molmil
Crystal Structure Analysis of human IDH1 mutants in complex with NADP+ and Ca2+/alpha-Ketoglutarate
Descriptor: 2-OXOGLUTARIC ACID, CALCIUM ION, Isocitrate dehydrogenase [NADP] cytoplasmic, ...
Authors:Concha, N.O, Smallwood, A.M.
Deposit date:2013-05-30
Release date:2013-07-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.282 Å)
Cite:Mutant IDH1 Enhances the Production of 2-Hydroxyglutarate Due to Its Kinetic Mechanism.
Biochemistry, 52, 2013
4L03
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BU of 4l03 by Molmil
Crystal Structure Analysis of human IDH1 mutants in complex with NADP+ and Ca2+/alpha-Ketoglutarate
Descriptor: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, CALCIUM ION, ...
Authors:Concha, N.O, Smallwood, A.M.
Deposit date:2013-05-30
Release date:2013-07-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mutant IDH1 Enhances the Production of 2-Hydroxyglutarate Due to Its Kinetic Mechanism.
Biochemistry, 52, 2013
3HDN
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BU of 3hdn by Molmil
Crystal structure of serum and glucocorticoid-regulated kinase 1 in complex with compound 2
Descriptor: Serine/threonine-protein kinase Sgk1, [4-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetic acid
Authors:Zhao, B, Hammond, M.
Deposit date:2009-05-07
Release date:2009-06-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Design and synthesis of orally bioavailable serum and glucocorticoid-regulated kinase 1 (SGK1) inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3HDM
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BU of 3hdm by Molmil
Crystal structure of serum and glucocorticoid-regulated kinase 1 in complex with compound 1
Descriptor: 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid, Serine/threonine-protein kinase Sgk1
Authors:Zhao, B, Hammond, M.
Deposit date:2009-05-07
Release date:2009-06-30
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Design and synthesis of orally bioavailable serum and glucocorticoid-regulated kinase 1 (SGK1) inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3L54
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BU of 3l54 by Molmil
Structure of Pi3K gamma with inhibitor
Descriptor: 6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
Authors:Elkins, P.A, Smallwood, A.M.
Deposit date:2009-12-21
Release date:2010-06-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of GSK2126458, a Highly Potent Inhibitor of PI3K and the Mammalian Target of Rapamycin.
ACS Med Chem Lett, 1, 2010
3CS7
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BU of 3cs7 by Molmil
FACTOR XA IN COMPLEX WITH THE INHIBITOR 1-(4-methoxyphenyl)-6-(4-(1-(pyrrolidin-1-ylmethyl)cyclopropyl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1H-pyrazolo[3,4-c]pyridin-7(4H)-one
Descriptor: 1-(4-methoxyphenyl)-6-(4-(1-(pyrrolidin-1-ylmethyl)cyclopropyl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1H-pyrazolo[3,4-c]pyridin-7(4H)-one, CALCIUM ION, Coagulation factor X
Authors:Alexander, R.S.
Deposit date:2008-04-09
Release date:2008-07-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Achieving structural diversity using the perpendicular conformation of alpha-substituted phenylcyclopropanes to mimic the bioactive conformation of ortho-substituted biphenyl P4 moieties: discovery of novel, highly potent inhibitors of Factor Xa.
Bioorg.Med.Chem.Lett., 18, 2008

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