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4O22
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Binary complex of metal-free PKAc with SP20.
分子名称: Phosphorylated peptide pSP20., cAMP-dependent protein kinase catalytic subunit alpha.
著者Das, A, Kovalevsky, A.Y, Gerlits, O, Langan, P, Heller, W.T, Keshwani, M, Taylor, S.S.
登録日2013-12-16
公開日2014-05-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Metal-Free cAMP-Dependent Protein Kinase Can Catalyze Phosphoryl Transfer.
Biochemistry, 53, 2014
4O21
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Product complex of metal-free PKAc, ATP-gamma-S and SP20.
分子名称: ADENOSINE-5'-DIPHOSPHATE, Thio-phosphorylated peptide pSP20, cAMP-dependent protein kinase catalytic subunit alpha
著者Das, A, Kovalevsky, A.Y, Gerlits, O, Langan, P, Heller, W.T, Keshwani, M, Taylor, S.
登録日2013-12-16
公開日2014-05-28
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Metal-Free cAMP-Dependent Protein Kinase Can Catalyze Phosphoryl Transfer.
Biochemistry, 53, 2014
3DT4
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The structure of rat cytosolic PEPCK in complex with oxalate and GTP
分子名称: GUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, OXALATE ION, ...
著者Sullivan, S.M, Holyoak, T.
登録日2008-07-14
公開日2008-08-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Enzymes with lid-gated active sites must operate by an induced fit mechanism instead of conformational selection.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3DTB
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The structure of rat cytosolic PEPCK in complex with phosphoglycolate and GDP
分子名称: 2-PHOSPHOGLYCOLIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BICARBONATE ION, ...
著者Sullivan, S.M, Holyoak, T.
登録日2008-07-14
公開日2008-08-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Enzymes with lid-gated active sites must operate by an induced fit mechanism instead of conformational selection.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3DT2
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BU of 3dt2 by Molmil
The structure of rat cytosolic PEPCK in complex with oxalate and GTP
分子名称: GUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, OXALATE ION, ...
著者Sullivan, S.M, Holyoak, T.
登録日2008-07-14
公開日2008-08-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Enzymes with lid-gated active sites must operate by an induced fit mechanism instead of conformational selection.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3DT7
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The structure of rat cytosolic PEPCK in complex with beta-sulfopyruvate and GTP
分子名称: 2-ETHOXYETHANOL, GUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, ...
著者Sullivan, S.M, Holyoak, T.
登録日2008-07-14
公開日2008-08-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Enzymes with lid-gated active sites must operate by an induced fit mechanism instead of conformational selection.
Proc.Natl.Acad.Sci.Usa, 105, 2008
4OX2
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BU of 4ox2 by Molmil
I45T cytosolic phosphoenolpyruvate carboxykinase in complex with beta-sulfopyruvate and GTP
分子名称: 2-ETHOXYETHANOL, GUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, ...
著者Holyoak, T.
登録日2014-02-04
公開日2014-06-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Three rare diseases in one Sib pair: RAI1, PCK1, GRIN2B mutations associated with Smith-Magenis Syndrome, cytosolic PEPCK deficiency and NMDA receptor glutamate insensitivity.
Mol.Genet.Metab., 113, 2014
3E9B
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BU of 3e9b by Molmil
X-ray structure of rat arginase I-T135A mutant: the complex with BEC
分子名称: Arginase-1, MANGANESE (II) ION, S-2-(BORONOETHYL)-L-CYSTEINE
著者Shishova, E.Y, Di Costanzo, L, Christianson, D.W.
登録日2008-08-21
公開日2008-12-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Probing the specificity determinants of amino acid recognition by arginase.
Biochemistry, 48, 2009
3E8Z
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X-ray structure of rat arginase I-N130A mutant: the unliganded complex
分子名称: Arginase-1, MANGANESE (II) ION
著者Shishova, E.Y, Di Costanzo, L, Christianson, D.W.
登録日2008-08-20
公開日2008-12-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Probing the specificity determinants of amino acid recognition by arginase.
Biochemistry, 48, 2009
3ELN
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BU of 3eln by Molmil
A Putative Fe2+-bound Persulfenate Intermediate in Cysteine Dioxygenase
分子名称: Cysteine dioxygenase type 1, FE (II) ION, S-HYDROPEROXYCYSTEINE
著者Simmons, C.R, Stipanuk, M.H, Karplus, P.A.
登録日2008-09-22
公開日2008-10-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献A putative Fe2+-bound persulfenate intermediate in cysteine dioxygenase.
Biochemistry, 47, 2008
3E8Q
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X-ray structure of rat arginase I-T135A: the unliganded complex
分子名称: Arginase-1, MANGANESE (II) ION
著者Shishova, E.Y, Di Costanzo, L, Emig, F.A, Ash, D.E, Christianson, D.W.
登録日2008-08-20
公開日2008-12-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Probing the specificity determinants of amino acid recognition by arginase.
Biochemistry, 48, 2009
3EIO
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BU of 3eio by Molmil
Crystal Structure Analysis of DPPIV Inhibitor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-({4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1,4-diazepan-1-yl}carbonyl)benzoic acid, ...
著者Ahn, J.H, Lee, J.-O.
登録日2008-09-17
公開日2008-11-04
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Synthesis and biological evaluation of homopiperazine derivatives with beta-aminoacyl group as dipeptidyl peptidase IV inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
4PFC
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BU of 4pfc by Molmil
Crystal structure of insulin degrading enzyme complexed with inhibitor
分子名称: Insulin-degrading enzyme, ZINC ION, methyl [(2S)-2-(5-{5-[4-({(2S)-2-[(3S)-3-amino-2-oxopiperidin-1-yl]-2-cyclohexylacetyl}amino)phenyl]pentyl}-2-fluorophenyl)-3-(quinolin-3-yl)propyl]carbamate
著者Wang, Y, Guo, S.
登録日2014-04-28
公開日2015-06-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Dual Exosite-binding Inhibitors of Insulin-degrading Enzyme Challenge Its Role as the Primary Mediator of Insulin Clearance in Vivo.
J.Biol.Chem., 290, 2015
4PF9
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BU of 4pf9 by Molmil
Crystal structure of insulin degrading enzyme complexed with inhibitor
分子名称: Insulin-degrading enzyme, ZINC ION, methyl [(2S)-2-[4-({5-[4-({(2S)-2-[(3S)-3-amino-2-oxopiperidin-1-yl]-2-cyclohexylacetyl}amino)phenyl]pentyl}oxy)phenyl]-3-(quinolin-3-yl)propyl]carbamate
著者Wang, Y, Guo, S.
登録日2014-04-28
公開日2015-06-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Dual Exosite-binding Inhibitors of Insulin-degrading Enzyme Challenge Its Role as the Primary Mediator of Insulin Clearance in Vivo.
J.Biol.Chem., 290, 2015
4PJY
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BU of 4pjy by Molmil
Azide bound Cysteine Dioxygenase at pH 6.2
分子名称: AZIDE ION, Cysteine dioxygenase type 1, FE (III) ION
著者Driggers, C.M, Karplus, P.A.
登録日2014-05-12
公開日2016-02-17
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.501 Å)
主引用文献Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.
J. Mol. Biol., 428, 2016
3F8S
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BU of 3f8s by Molmil
Crystal structure of dipeptidyl peptidase IV in complex with inhibitor
分子名称: 2-(4-{(3S,5S)-5-[(3,3-difluoropyrrolidin-1-yl)carbonyl]pyrrolidin-3-yl}piperazin-1-yl)pyrimidine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Ammirati, M.J, Liu, S, Piotrowski, D.W.
登録日2008-11-13
公開日2009-06-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献(3,3-Difluoro-pyrrolidin-1-yl)-[(2S,4S)-(4-(4-pyrimidin-2-yl-piperazin-1-yl)-pyrrolidin-2-yl]-methanone: a potent, selective, orally active dipeptidyl peptidase IV inhibitor.
Bioorg.Med.Chem.Lett., 19, 2009
3FHI
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BU of 3fhi by Molmil
Crystal structure of a complex between the catalytic and regulatory (RI{alpha}) subunits of PKA
分子名称: MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, cAMP-dependent protein kinase catalytic subunit alpha, ...
著者Kim, C.
登録日2008-12-09
公開日2009-04-14
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of a complex between the catalytic and regulatory (RIalpha) subunits of PKA.
Science, 307, 2005
4PNZ
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Human dipeptidyl peptidase IV/CD26 in complex with the long-acting inhibitor Omarigliptin (MK-3102)
分子名称: (2R,3S,5R)-5-[2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]-2-(2,4,5-trifluorophenyl)tetrahydro-2H-pyran-3-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scapin, G, Yan, Y.
登録日2014-02-22
公開日2014-04-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Omarigliptin (MK-3102): A Novel Long-Acting DPP-4 Inhibitor for Once-Weekly Treatment of Type 2 Diabetes.
J.Med.Chem., 57, 2014
4PV7
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Cocrystal structure of dipeptidyl-peptidase 4 with an indole scaffold inhibitor
分子名称: 1-[2-(2,4-dichlorophenyl)-1-(methylsulfonyl)-1H-indol-3-yl]methanamine, Dipeptidyl peptidase 4 soluble form
著者Xiao, P, Guo, R, Huang, S, Cui, H, Ye, S, Zhang, Z.
登録日2014-03-15
公開日2015-03-18
実験手法X-RAY DIFFRACTION (3.24 Å)
主引用文献Discovery of dipeptidyl peptidase IV (DPP4) inhibitors based on a novel indole scaffold
Chin.Chem.Lett., 25, 2014
4PIY
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BU of 4piy by Molmil
Homocysteine bound Cysteine Dioxygenase C93A variant at pH 6.2
分子名称: 2-AMINO-4-MERCAPTO-BUTYRIC ACID, Cysteine dioxygenase type 1, FE (III) ION
著者Driggers, C.M, Karplus, P.A.
登録日2014-05-09
公開日2016-02-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.
J. Mol. Biol., 428, 2016
4PF7
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BU of 4pf7 by Molmil
Crystal structure of insulin degrading enzyme complexed with inhibitor
分子名称: (2S)-2-amino-N-{(1S)-1-cyclohexyl-2-[(4-methylphenyl)amino]-2-oxoethyl}-4-(methylselanyl)butanamide, Insulin-degrading enzyme, ZINC ION
著者Wang, Y, Guo, S.
登録日2014-04-28
公開日2015-06-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Dual Exosite-binding Inhibitors of Insulin-degrading Enzyme Challenge Its Role as the Primary Mediator of Insulin Clearance in Vivo.
J.Biol.Chem., 290, 2015
4PIX
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BU of 4pix by Molmil
Unliganded Cysteine Dioxygenase C93A variant at pH 6.2
分子名称: CHLORIDE ION, Cysteine dioxygenase type 1, FE (III) ION
著者Driggers, C.M, Karplus, P.A.
登録日2014-05-09
公開日2016-02-17
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.
J. Mol. Biol., 428, 2016
4PIZ
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BU of 4piz by Molmil
Homocysteine-bound Cysteine Dioxygenase at pH 6.2
分子名称: 2-AMINO-4-MERCAPTO-BUTYRIC ACID, Cysteine dioxygenase type 1, FE (III) ION
著者Driggers, C.M, Karplus, P.A.
登録日2014-05-09
公開日2016-02-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.
J. Mol. Biol., 428, 2016
3FJQ
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BU of 3fjq by Molmil
Crystal structure of cAMP-dependent protein kinase catalytic subunit alpha in complex with peptide inhibitor PKI alpha (6-25)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, cAMP-dependent protein kinase catalytic subunit alpha, ...
著者Kim, C.
登録日2008-12-15
公開日2009-08-04
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Comparative surface geometry of the protein kinase family.
Protein Sci., 18, 2009
4Q9H
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BU of 4q9h by Molmil
P-glycoprotein at 3.4 A resolution
分子名称: Multidrug resistance protein 1A
著者McGrath, A.P, Szewczyk, P, Chang, G.
登録日2014-05-01
公開日2015-03-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Snapshots of ligand entry, malleable binding and induced helical movement in P-glycoprotein.
Acta Crystallogr.,Sect.D, 71, 2015

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