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3PUO
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BU of 3puo by Molmil
Crystal structure of dihydrodipicolinate synthase from Pseudomonas aeruginosa(PsDHDPS)complexed with L-lysine at 2.65A resolution
分子名称: Dihydrodipicolinate synthase, GLYCEROL, LYSINE
著者Kaur, N, Kumar, M, Kumar, S, Gautam, A, Sinha, M, Kaur, P, Sharma, S, Sharma, R, Tewari, R, Singh, T.P.
登録日2010-12-06
公開日2010-12-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Biochemical studies and crystal structure determination of dihydrodipicolinate synthase from Pseudomonas aeruginosa
Int.J.Biol.Macromol., 48, 2011
3NOE
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BU of 3noe by Molmil
Crystal Structure of Dihydrodipicolinate synthase from Pseudomonas aeruginosa
分子名称: Dihydrodipicolinate synthase, S-1,2-PROPANEDIOL
著者Kaur, N, Kumar, S, Singh, N, Gautam, A, Sharma, R, Sharma, S, Tewari, R, Singh, T.P.
登録日2010-06-25
公開日2010-07-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Crystal Structure of Dihydrodipicolinate synthase from Pseudomonas aeruginosa
To be Published
3PS7
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BU of 3ps7 by Molmil
Biochemical studies and crystal structure determination of dihydrodipicolinate synthase from Pseudomonas aeruginosa
分子名称: Dihydrodipicolinate synthase, S-1,2-PROPANEDIOL
著者Kaur, N, Gautam, A, Kumar, S, Singh, A, Singh, N, Sharma, S, Sharma, R, Tewari, R, Singh, T.P.
登録日2010-12-01
公開日2010-12-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Biochemical studies and crystal structure determination of dihydrodipicolinate synthase from Pseudomonas aeruginosa
Int.J.Biol.Macromol., 48, 2011
5GVY
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BU of 5gvy by Molmil
Crystal structure of SALT protein from Oryza sativa
分子名称: Salt stress-induced protein, alpha-D-mannopyranose
著者Sharma, P, Sagar, A, Kaur, N, Sharma, I, Kirat, K, Ashish, F.N.U, Pati, P.K.
登録日2016-09-07
公開日2017-09-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.662 Å)
主引用文献Structural insights into rice SalTol QTL located SALT protein.
Sci Rep, 10, 2020
5VR6
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BU of 5vr6 by Molmil
Structure of Human Sts-1 histidine phosphatase domain with sulfate bound
分子名称: SULFATE ION, Ubiquitin-associated and SH3 domain-containing protein B
著者Zhou, W, Yin, Y, Weinheimer, A.W, Kaur, N, Carpino, N, French, J.B.
登録日2017-05-10
公開日2017-08-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structural and Functional Characterization of the Histidine Phosphatase Domains of Human Sts-1 and Sts-2.
Biochemistry, 56, 2017
5W5G
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BU of 5w5g by Molmil
Structure of Human Sts-1 histidine phosphatase domain
分子名称: Ubiquitin-associated and SH3 domain-containing protein B
著者Zhou, W, Yin, Y, Weinheimer, A.W, Kaur, N, Carpino, N, French, J.B.
登録日2017-06-15
公開日2017-08-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Structural and Functional Characterization of the Histidine Phosphatase Domains of Human Sts-1 and Sts-2.
Biochemistry, 56, 2017
5WDI
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BU of 5wdi by Molmil
Structure of Human Sts-2 histidine phosphatase domain
分子名称: SULFATE ION, Ubiquitin-associated and SH3 domain-containing protein A
著者Zhou, W, Yin, Y, Weinheimer, A.W, Kaur, N, Carpino, N, French, J.B.
登録日2017-07-05
公開日2017-08-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Structural and Functional Characterization of the Histidine Phosphatase Domains of Human Sts-1 and Sts-2.
Biochemistry, 56, 2017
3PUL
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BU of 3pul by Molmil
Crystal structure of the complex of Dhydrodipicolinate synthase from Acinetobacter baumannii with lysine at 2.3A resolution
分子名称: ACETATE ION, Dihydrodipicolinate synthase, GLYCEROL, ...
著者Jithesh, O, Yamini, S, Kaur, N, Gautam, A, Tewari, R, Kushwaha, G.S, Kaur, P, Srinivasan, A, Sharma, S, Singh, T.P.
登録日2010-12-06
公開日2010-12-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of the complex of Dhydrodipicolinate synthase from Acinetobacter baumannii with lysine at 2.3A resolution
to be published
3PUD
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BU of 3pud by Molmil
Crystal structure of Dhydrodipicolinate synthase from Acinetobacter baumannii at 2.8A resolution
分子名称: Dihydrodipicolinate synthase, GLYCEROL, SULFATE ION
著者Jithesh, O, Yamini, S, Kaur, N, Gautam, A, Tewari, R, Kushwaha, G.S, Kaur, P, Srinivasan, A, Sharma, S, Singh, T.P.
登録日2010-12-04
公開日2010-12-22
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of Dhydrodipicolinate synthase from Acinetobacter baumannii at 2.8A resolution
To be Published
3PUE
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BU of 3pue by Molmil
Crystal structure of the complex of Dhydrodipicolinate synthase from Acinetobacter baumannii with lysine at 2.6A resolution
分子名称: Dihydrodipicolinate synthase, GLYCEROL, LYSINE, ...
著者Jithesh, O, Yamini, S, Kaur, N, Gautam, A, Tewari, R, Kushwaha, G.S, Kaur, P, Srinivasan, A, Sharma, S, Singh, T.P.
登録日2010-12-04
公開日2010-12-22
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of the complex of Dhydrodipicolinate synthase from Acinetobacter baumannii with lysine at 2.6A resolution
To be Published
3S8H
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BU of 3s8h by Molmil
Structure of dihydrodipicolinate synthase complexed with 3-Hydroxypropanoic acid(HPA)at 2.70 A resolution
分子名称: 3-HYDROXY-PROPANOIC ACID, Dihydrodipicolinate synthase
著者Kumar, M, Kaur, N, Kumar, S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
登録日2011-05-28
公開日2011-06-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of dihydrodipicolinate synthase complexed with 3-Hydroxypropanoic acid(HPA)at 2.70 A resolution
TO BE PUBLISHED
8CO7
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BU of 8co7 by Molmil
Crystal structure of human soluble adenylyl cyclase (sAC) in complex with inhibitor TDI-09066
分子名称: 1,2-ETHANEDIOL, 4-chloranyl-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine, ACETATE ION, ...
著者Steegborn, C.
登録日2023-02-27
公開日2024-01-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Scaffold Hopping and Optimization of Small Molecule Soluble Adenyl Cyclase Inhibitors Led by Free Energy Perturbation.
J.Chem.Inf.Model., 63, 2023
8COJ
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BU of 8coj by Molmil
Crystal structure of human soluble adenylyl cyclase catalytic domain in complex with the inhibitor TDI-10228
分子名称: 1,2-ETHANEDIOL, 4-chloranyl-6-[4-[(3-fluorophenyl)methyl]-1-methyl-pyrazol-3-yl]pyrimidin-2-amine, ACETATE ION, ...
著者Steegborn, C, Fushimi, M.
登録日2023-02-28
公開日2023-04-26
最終更新日2023-05-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Scaffold Hopping and Optimization of Small Molecule Soluble Adenyl Cyclase Inhibitors Led by Free Energy Perturbation.
J.Chem.Inf.Model., 63, 2023
8CNH
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BU of 8cnh by Molmil
Crystal structure of human soluble adenylyl cyclase (sAC) in complex with inhibitor TDI-10512
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Adenylate cyclase type 10, ...
著者Steegborn, C.
登録日2023-02-23
公開日2023-04-26
最終更新日2023-05-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Scaffold Hopping and Optimization of Small Molecule Soluble Adenyl Cyclase Inhibitors Led by Free Energy Perturbation.
J.Chem.Inf.Model., 63, 2023
8COT
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BU of 8cot by Molmil
Complex of human soluble adenylyl cyclase 10 catalytic core with inhibitor TDI-10962
分子名称: 1,2-ETHANEDIOL, 2-(dimethylamino)ethyl 5-(2-azanyl-6-chloranyl-pyrimidin-4-yl)-2-methyl-4-(phenylmethyl)pyrazole-3-carboxylate, ACETATE ION, ...
著者Steegborn, C, Fushimi, M.
登録日2023-02-28
公開日2023-04-26
最終更新日2023-05-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Scaffold Hopping and Optimization of Small Molecule Soluble Adenyl Cyclase Inhibitors Led by Free Energy Perturbation.
J.Chem.Inf.Model., 63, 2023
7OVD
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BU of 7ovd by Molmil
Human soluble adenylyl cyclase in complex with the inhibitor TDI10229
分子名称: 1,2-ETHANEDIOL, 4-chloranyl-6-[1,5-dimethyl-4-(phenylmethyl)pyrazol-3-yl]pyrimidin-2-amine, ACETATE ION, ...
著者Steegborn, C, Quast, J.
登録日2021-06-14
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of TDI-10229: A Potent and Orally Bioavailable Inhibitor of Soluble Adenylyl Cyclase (sAC, ADCY10).
Acs Med.Chem.Lett., 12, 2021
8B75
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BU of 8b75 by Molmil
CRYSTAL STRUCTURE OF HUMAN SOLUBLE ADENYLYL CYCLASE IN COMPLEX WITH THE INHIBITOR TDI-011861
分子名称: Adenylate cyclase type 10, [(3~{R})-4-[2-[2-[[3-(2-azanyl-6-chloranyl-pyrimidin-4-yl)-1-[bis(fluoranyl)methyl]pyrazol-4-yl]methyl]phenoxy]ethyl]morpholin-3-yl]methanol
著者Steegborn, C, Kehr, M.
登録日2022-09-28
公開日2023-03-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Design, Synthesis, and Pharmacological Evaluation of Second-Generation Soluble Adenylyl Cyclase (sAC, ADCY10) Inhibitors with Slow Dissociation Rates.
J.Med.Chem., 65, 2022

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件を2024-05-01に公開中

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