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3V9B
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BU of 3v9b by Molmil
Crystal structure of the catalytic domain of PDE4D2 with (S)-N-(3-{1-[1-(3-Cyclopropylmethoxy-4-difluoromethoxyphenyl)-2-(1-oxypyridin-4-yl)-ethyl]-1H-pyrazl-3-yl}phenyl)acetamide
分子名称: N-(3-{1-[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(1-oxidopyridin-4-yl)ethyl]-1H-pyrazol-3-yl}phenyl)acetamide, ZINC ION, cAMP-specific 3',5'-cyclic phosphodiesterase 4D
著者Kim, H.T, Chang, H.J.
登録日2011-12-25
公開日2012-01-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Stereoselective synthesis of novel pyrazole derivatives using tert-butansulfonamide as a chiral auxiliary
Org.Biomol.Chem., 10, 2012
1UDT
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BU of 1udt by Molmil
Crystal structure of Human Phosphodiesterase 5 complexed with Sildenafil(Viagra)
分子名称: 5-{2-ETHOXY-5-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-1-METHYL-3-PROPYL-1H,6H,7H-PYRAZOLO[4,3-D]PYRIMIDIN-7-ONE, MAGNESIUM ION, ZINC ION, ...
著者Sung, B.-J, Lee, J.I, Heo, Y.-S, Kim, J.H, Moon, J, Yoon, J.M, Hyun, Y.-L, Kim, E, Eum, S.J, Lee, T.G, Cho, J.M, Park, S.-Y, Lee, J.-O, Jeon, Y.H, Hwang, K.Y, Ro, S.
登録日2003-05-06
公開日2004-05-11
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of the catalytic domain of human phosphodiesterase 5 with bound drug molecules
Nature, 425, 2003
1UDU
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Crystal structure of Human Phosphodiesterase 5 complexed with tadalafil(Cialis)
分子名称: 6-BENZO[1,3]DIOXOL-5-YL-2-METHYL-2,3,6,7,12,12A-HEXAHYDRO-PYRAZINO[1',2':1,6]PYRIDO[3,4-B]INDOLE-1,4-DIONE, MAGNESIUM ION, ZINC ION, ...
著者Sung, B.-J, Lee, J.I, Heo, Y.-S, Kim, J.H, Moon, J, Yoon, J.M, Hyun, Y.-L, Kim, E, Eum, S.J, Lee, T.G, Cho, J.M, Park, S.-Y, Lee, J.-O, Jeon, Y.H, Hwang, K.Y, Ro, S.
登録日2003-05-06
公開日2004-05-11
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Structure of the catalytic domain of human phosphodiesterase 5 with bound drug molecules
Nature, 425, 2003
1UHO
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BU of 1uho by Molmil
Crystal structure of Human Phosphodiesterase 5 complexed with Vardenafil(Levitra)
分子名称: 2-{2-ETHOXY-5-[(4-ETHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-5-METHYL-7-PROPYLIMIDAZO[5,1-F][1,2,4]TRIAZIN-4(1H)-ONE, MAGNESIUM ION, ZINC ION, ...
著者Sung, B.-J, Lee, J.I, Heo, Y.-S, Kim, J.H, Moon, J, Yoon, J.M, Hyun, Y.-L, Kim, E, Eum, S.J, Lee, T.G, Cho, J.M, Park, S.-Y, Lee, J.-O, Jeon, Y.H, Hwang, K.Y, Ro, S.
登録日2003-07-09
公開日2004-07-09
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of the catalytic domain of human phosphodiesterase 5 with bound drug molecules
Nature, 425, 2003
7F0I
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BU of 7f0i by Molmil
phosphodiesterase-9A in complex with inhibitor 4b
分子名称: 1-cyclopentyl-6-[[(2R)-1-(6-fluoranyl-2-azaspiro[3.3]heptan-2-yl)-1-oxidanylidene-propan-2-yl]amino]-5H-pyrazolo[3,4-d]pyrimidin-4-one, Isoform PDE9A2 of High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ...
著者Wu, Y, Huang, Y.Y, Luo, H.B.
登録日2021-06-04
公開日2022-04-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.70000887 Å)
主引用文献Discovery of Potent Phosphodiesterase-9 Inhibitors for the Treatment of Hepatic Fibrosis
J.Med.Chem., 64, 2021
3I8V
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Crystal structure of human PDE4a with 4-(3-butoxy-4-methoxyphenyl)methyl-2-imidazolidone
分子名称: (4R)-4-(3-butoxy-4-methoxybenzyl)imidazolidin-2-one, COBALT (II) ION, GLYCEROL, ...
著者Cheng, R.K.Y, Crawley, L, Barker, J, Wood, M, Felicetti, B, Whittaker, M.
登録日2009-07-10
公開日2009-07-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal structure of human PDE4a with 4-(3-butoxy-4-methoxyphenyl)methyl-2-imidazolidone
To be Published
7R31
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BU of 7r31 by Molmil
Carbon regulatory PII-like protein SbtB from Synechocystis sp. 6803, C105A+C110A variant, in complex with ATP (co-crystal), tetragonal crystal form
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, Membrane-associated protein slr1513, ...
著者Selim, K.A, Albrecht, R, Hartmann, M.D.
登録日2022-02-06
公開日2023-02-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Carbon signaling protein SbtB possesses atypical redox-regulated apyrase activity to facilitate regulation of bicarbonate transporter SbtA.
Proc.Natl.Acad.Sci.USA, 120, 2023
7R32
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Carbon regulatory PII-like protein SbtB from Synechocystis sp. 6803, delta104 variant, in complex with ADP (co-crystal), tetragonal crystal form
分子名称: ADENOSINE-5'-DIPHOSPHATE, Membrane-associated protein slr1513
著者Selim, K.A, Albrecht, R, Hartmann, M.D.
登録日2022-02-06
公開日2023-02-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Carbon signaling protein SbtB possesses atypical redox-regulated apyrase activity to facilitate regulation of bicarbonate transporter SbtA.
Proc.Natl.Acad.Sci.USA, 120, 2023
7R2Y
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BU of 7r2y by Molmil
Carbon regulatory PII-like protein SbtB from Synechocystis sp. 6803 in complex with ATP resulting from short ATP soak, conflicting T-loop and C-loop with partial occupancy
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Membrane-associated protein slr1513, SODIUM ION
著者Selim, K.A, Albrecht, R, Hartmann, M.D.
登録日2022-02-06
公開日2023-02-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Carbon signaling protein SbtB possesses atypical redox-regulated apyrase activity to facilitate regulation of bicarbonate transporter SbtA.
Proc.Natl.Acad.Sci.USA, 120, 2023
7R2Z
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BU of 7r2z by Molmil
Carbon regulatory PII-like protein SbtB from Synechocystis sp. 6803 in complex with ATP and ADP resulting from long ATP soak
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Membrane-associated protein slr1513
著者Selim, K.A, Albrecht, R, Hartmann, M.D.
登録日2022-02-06
公開日2023-02-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Carbon signaling protein SbtB possesses atypical redox-regulated apyrase activity to facilitate regulation of bicarbonate transporter SbtA.
Proc.Natl.Acad.Sci.USA, 120, 2023
6CPU
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BU of 6cpu by Molmil
Crystal structure of yeast caPDE2
分子名称: MAGNESIUM ION, Phosphodiesterase, ZINC ION
著者Ke, H, Wang, y.
登録日2018-03-14
公開日2019-02-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structures of Candida albicans Phosphodiesterase 2 and Implications for Its Biological Functions.
Biochemistry, 57, 2018
6CPT
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BU of 6cpt by Molmil
crystal structure of yeast caPDE2 in complex with IBMX
分子名称: 3-ISOBUTYL-1-METHYLXANTHINE, MAGNESIUM ION, Phosphodiesterase, ...
著者Ke, h, Wang, Y.
登録日2018-03-14
公開日2019-02-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structures of Candida albicans Phosphodiesterase 2 and Implications for Its Biological Functions.
Biochemistry, 57, 2018
8PDV
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BU of 8pdv by Molmil
cGMP-bound SpSLC9C1 in lipid nanodiscs, protomer
分子名称: CYCLIC GUANOSINE MONOPHOSPHATE, Sperm-specific sodium proton exchanger
著者Kalienkova, V, Peter, M, Rheinberger, J, Paulino, C.
登録日2023-06-12
公開日2023-11-08
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (3.26 Å)
主引用文献Structures of a sperm-specific solute carrier gated by voltage and cAMP.
Nature, 623, 2023
8PDU
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BU of 8pdu by Molmil
cGMP-bound SpSLC9C1 in lipid nanodiscs, dimer
分子名称: CYCLIC GUANOSINE MONOPHOSPHATE, Sperm-specific sodium proton exchanger
著者Kalienkova, V, Peter, M, Rheinberger, J, Paulino, C.
登録日2023-06-12
公開日2023-11-08
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (3.22 Å)
主引用文献Structures of a sperm-specific solute carrier gated by voltage and cAMP.
Nature, 623, 2023
4QGE
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BU of 4qge by Molmil
phosphodiesterase-9A in complex with inhibitor WYQ-C36D
分子名称: MAGNESIUM ION, N~2~-(1-cyclopentyl-4-oxo-4,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-(4-methoxyphenyl)-D-alaninamide, Phosphodiesterase 9A, ...
著者Shao, Y.-X, Huang, M, Cui, W, Ke, H.
登録日2014-05-22
公開日2014-12-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of a Phosphodiesterase 9A Inhibitor as a Potential Hypoglycemic Agent.
J.Med.Chem., 57, 2014
5D0G
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BU of 5d0g by Molmil
Crystal structure of triple mutant (KDA to EGY) of adenylyl cyclase Ma1120 from Mycobacterium avium in complex with GTP and calcium ion
分子名称: CALCIUM ION, Cyclase, GUANOSINE-5'-TRIPHOSPHATE
著者Bharambe, N.G, Suguna, K.
登録日2015-08-03
公開日2016-08-10
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Substrate specificity determinants of class III nucleotidyl cyclases
Febs J., 283, 2016
5D15
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Crystal structure of an adenylyl cyclase Ma1120 from Mycobacterium avium in complex with ATP and calcium ion
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ...
著者Bharambe, N.G, Barathy, D.V, Suguna, K.
登録日2015-08-03
公開日2016-08-10
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Substrate specificity determinants of class III nucleotidyl cyclases
Febs J., 283, 2016
5D0E
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Crystal Structure of an adenylyl cyclase Ma1120-Cat in complex with GTP and calcium from Mycobacterium avium
分子名称: CALCIUM ION, CHLORIDE ION, Cyclase, ...
著者Bharambe, N.G, Barathy, D.V, Suguna, K.
登録日2015-08-03
公開日2016-08-10
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Substrate specificity determinants of class III nucleotidyl cyclases
Febs J., 283, 2016
5D0H
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BU of 5d0h by Molmil
Crystal Structure of triple mutant (KDA to EGY) of an adenylyl cyclase Ma1120 from Mycobacterium avium in complex with ATP and calcium ion
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, Cyclase
著者Bharambe, N.G, Suguna, K.
登録日2015-08-03
公開日2016-08-10
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Substrate specificity determinants of class III nucleotidyl cyclases
Febs J., 283, 2016
8CIL
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BU of 8cil by Molmil
Crystal structure of Coxiella burnetii Fic protein 2
分子名称: Fic family protein
著者Hoepfner, D, Itzen, A, Pogenberg, V.
登録日2023-02-10
公開日2023-11-15
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献The DNA-binding induced (de)AMPylation activity of a Coxiella burnetii Fic enzyme targets Histone H3.
Commun Biol, 6, 2023
3S6A
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BU of 3s6a by Molmil
Fic protein from NEISSERIA MENINGITIDIS in complex with AMPPNP
分子名称: Cell filamentation protein Fic-related protein, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Stanger, F, Goepfert, A, Schirmer, T.
登録日2011-05-25
公開日2012-01-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Adenylylation control by intra- or intermolecular active-site obstruction in Fic proteins.
Nature, 482, 2012
3SHG
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VBHT Fic protein from BARTONELLA SCHOENBUCHENSIS in complex with VBHA antitoxin
分子名称: L(+)-TARTARIC ACID, VbhA, VbhT
著者Goepfert, A, Schirmer, T.
登録日2011-06-16
公開日2012-01-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Adenylylation control by intra- or intermolecular active-site obstruction in Fic proteins.
Nature, 482, 2012
3SN9
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BU of 3sn9 by Molmil
Fic protein from NEISSERIA MENINGITIDIS mutant S182A/E186A in complex with AMPPNP
分子名称: Cell filamentation protein Fic-related protein, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Goepfert, A, Stanger, F, Schirmer, T.
登録日2011-06-29
公開日2012-01-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.03 Å)
主引用文献Adenylylation control by intra- or intermolecular active-site obstruction in Fic proteins.
Nature, 482, 2012
5MBG
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Structure of a bacterial light-regulated adenylyl cyclase
分子名称: Beta subunit of photoactivated adenylyl cyclase, IODIDE ION
著者Lindner, R, Hartmann, E, Tarnawski, M, Winkler, A, Frey, D, Reinstein, J, Meinhart, A, Schlichting, I.
登録日2016-11-08
公開日2017-04-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Photoactivation Mechanism of a Bacterial Light-Regulated Adenylyl Cyclase.
J. Mol. Biol., 429, 2017
5MBC
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Structure of a bacterial light-regulated adenylyl cylcase
分子名称: Beta subunit of photoactivated adenylyl cyclase, CHLORIDE ION, FLAVIN MONONUCLEOTIDE
著者Lindner, R, Hartmann, E, Tarnawski, M, Winkler, A, Frey, D, Reinstein, J, Meinhart, A, Schlichting, I.
登録日2016-11-08
公開日2017-04-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Photoactivation Mechanism of a Bacterial Light-Regulated Adenylyl Cyclase.
J. Mol. Biol., 429, 2017

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