6IAG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6iag by Molmil](/molmil-images/mine/6iag) | |
6IBF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ibf by Molmil](/molmil-images/mine/6ibf) | Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-417 | 分子名称: | (4~{a}~{S},8~{a}~{R})-4-[4-methoxy-3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | 著者 | Singh, A.K, Brown, D.G. | 登録日 | 2018-11-29 | 公開日 | 2019-12-18 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | hPDE4D2 structure with inhibitor NPD-417 To be published
|
|
3ZPF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3zpf by Molmil](/molmil-images/mine/3zpf) | |
3ZPE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3zpe by Molmil](/molmil-images/mine/3zpe) | |
2E9E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2e9e by Molmil](/molmil-images/mine/2e9e) | Crystal structure of the complex of goat lactoperoxidase with Nitrate at 3.25 A resolution | 分子名称: | 1-(OXIDOSULFANYL)METHANAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | 著者 | Singh, A.K, Prem kumar, R, Singh, N, Sharma, S, Singh, S.B, Bhushan, A, Kaur, P, Singh, T.P. | 登録日 | 2007-01-25 | 公開日 | 2007-02-06 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | 主引用文献 | Crystal structure of the complex of goat lactoperoxidase with Nitrate at 3.25 A resolution To be Published
|
|
2DUJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2duj by Molmil](/molmil-images/mine/2duj) | 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
|
|
2DQK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2dqk by Molmil](/molmil-images/mine/2dqk) | Crystal structure of the complex of proteinase K with a specific lactoferrin peptide Val-Leu-Leu-His at 1.93 A resolution | 分子名称: | CALCIUM ION, NITRATE ION, Proteinase K, ... | 著者 | Singh, A.K, Singh, N, Sharma, S, Dey, S, Bhushan, A, Singh, T.P. | 登録日 | 2006-05-29 | 公開日 | 2006-06-20 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.93 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 resolution To be Published
|
|
2EFB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2efb by Molmil](/molmil-images/mine/2efb) | Crystal structure of the complex of goat lactoperoxidase with phosphate at 2.94 A resolution | 分子名称: | 1-(OXIDOSULFANYL)METHANAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | 著者 | Singh, A.K, Hariprasad, G, Prem Kumar, R, Singh, N, Bhushan, A, Sharma, S, Kaur, P, Singh, T.P. | 登録日 | 2007-02-22 | 公開日 | 2007-03-06 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.94 Å) | 主引用文献 | Crystal structure of the complex of goat lactoperoxidase with phosphate at 2.94 A resolution To be Published
|
|
2EHA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2eha by Molmil](/molmil-images/mine/2eha) | Crystal structure of goat lactoperoxidase complexed with formate anion at 3.3 A resolution | 分子名称: | 1-(OXIDOSULFANYL)METHANAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | 著者 | Singh, A.K, Ethayathulla, A.S, Singh, N, Sharma, S, Kaur, P, Singh, T.P. | 登録日 | 2007-03-06 | 公開日 | 2007-04-24 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Crystal structure of goat lactoperoxidase complexed with formate anion at 3.3 A resolution to be published
|
|
2DP4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2dp4 by Molmil](/molmil-images/mine/2dp4) | Crystal structure of the complex formed between proteinase K and a human lactoferrin fragment at 2.9 A resolution | 分子名称: | 8-mer peptide from Lactotransferrin, Proteinase K | 著者 | Singh, A.K, Singh, N, Sharma, S, Bhushan, A, Singh, T.P. | 登録日 | 2006-05-05 | 公開日 | 2006-05-16 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Crystal structure of the complex formed between proteinase K and a human lactoferrin fragment at 2.9 A resolution To be Published
|
|
2QPK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2qpk by Molmil](/molmil-images/mine/2qpk) | Crystal structure of the complex of bovine lactoperoxidase with salicylhydroxamic acid at 2.34 A resolution | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, IODIDE ION, ... | 著者 | Singh, A.K, Singh, N, Sharma, S, Kaur, P, Singh, T.P. | 登録日 | 2007-07-24 | 公開日 | 2007-08-07 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | 主引用文献 | Structure of bovine lactoperoxidase with a partially linked heme moiety at 1.98 angstrom resolution. Biochim.Biophys.Acta, 1865, 2017
|
|
7P15
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7p15 by Molmil](/molmil-images/mine/7p15) | |
7OZW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ozw by Molmil](/molmil-images/mine/7ozw) | |
4G1P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4g1p by Molmil](/molmil-images/mine/4g1p) | Structural and Mechanistic Basis of Substrate Recognition by Novel Di-peptidase Dug1p From Saccharomyces cerevisiae | 分子名称: | CYSTEINE, Cys-Gly metallodipeptidase DUG1, GLYCINE, ... | 著者 | Singh, A.K, Singh, M, Pandya, V.K, Singh, V, Mittal, M, Kumaran, S. | 登録日 | 2012-07-11 | 公開日 | 2013-07-17 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.547 Å) | 主引用文献 | Structural and Mechanistic Basis of Substrate Recognition by Novel Di-peptidase Dug1p From Saccromyces cerevesiae To be published
|
|
5L8Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5l8y by Molmil](/molmil-images/mine/5l8y) | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-937 | 分子名称: | 2-[(4-{5-[(4aR,8aS)-3-cycloheptyl-4-oxo-3,4,4a,5,8,8a-hexahydrophthalazin-1-yl]-2-methoxyphenyl}phenyl)formamido]-N-(2-hydroxyethyl)acetamide, FORMIC ACID, GLYCEROL, ... | 著者 | Singh, A.K, Anthonyrajah, E.S, Brown, D.G. | 登録日 | 2016-06-08 | 公開日 | 2018-03-14 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity. J. Med. Chem., 61, 2018
|
|
5L9H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5l9h by Molmil](/molmil-images/mine/5l9h) | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-340 | 分子名称: | 5-[4-methoxy-3-[4-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4,4-dimethyl-2-propan-2-yl-pyrazol-3-one, FORMIC ACID, GLYCEROL, ... | 著者 | Singh, A.K, Brown, D.G. | 登録日 | 2016-06-10 | 公開日 | 2018-03-14 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity. J. Med. Chem., 61, 2018
|
|
5L8C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5l8c by Molmil](/molmil-images/mine/5l8c) | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-039 | 分子名称: | 4-[5-[(4~{a}~{R},8~{a}~{S})-4-oxidanylidene-3-propan-2-yl-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-(2-azanyl-2-oxidanylidene-ethyl)benzamide, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ... | 著者 | Singh, A.K, Anthonyrajah, E.S, Brown, D.G. | 登録日 | 2016-06-07 | 公開日 | 2018-03-14 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity. J. Med. Chem., 61, 2018
|
|
5LAQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5laq by Molmil](/molmil-images/mine/5laq) | Crystal structure of human phosphodiesterase 4B catalytic domain with inhibitor NPD-001 | 分子名称: | (4~{a}~{S},8~{a}~{R})-2-cycloheptyl-4-[4-methoxy-3-[4-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one, ACETATE ION, MAGNESIUM ION, ... | 著者 | Singh, A.K, Brown, D.G. | 登録日 | 2016-06-14 | 公開日 | 2018-03-14 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity. J. Med. Chem., 61, 2018
|
|
5LBO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5lbo by Molmil](/molmil-images/mine/5lbo) | Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-001 | 分子名称: | (4~{a}~{S},8~{a}~{R})-2-cycloheptyl-4-[4-methoxy-3-[4-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one, 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ... | 著者 | Singh, A.K, Brown, D.G. | 登録日 | 2016-06-16 | 公開日 | 2018-03-14 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity. J. Med. Chem., 61, 2018
|
|
5NBH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nbh by Molmil](/molmil-images/mine/5nbh) | |
5NC1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nc1 by Molmil](/molmil-images/mine/5nc1) | |
5G2B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5g2b by Molmil](/molmil-images/mine/5g2b) | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-008 | 分子名称: | CLASS 1 PHOSPHODIESTERASE PDEB1, FORMIC ACID, GLYCEROL, ... | 著者 | Singh, A.K, Anthonyrajah, E.S, Brown, D.G. | 登録日 | 2016-04-07 | 公開日 | 2017-11-29 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity. J. Med. Chem., 61, 2018
|
|
5DBE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5dbe by Molmil](/molmil-images/mine/5dbe) | Crystal structure of O-acetylserine sulfhydrylase from Haemophilus influenzae in complex with pre-reactive O-acetyl serine, alpha-aminoacrylate reaction intermediate and peptide inhibitor at the resolution of 2.25A | 分子名称: | 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, C-terminal peptide from Serine acetyltransferase, Cysteine synthase, ... | 著者 | Singh, A.K, Kaushik, A, Ekka, M.K, Kumaran, S. | 登録日 | 2015-08-21 | 公開日 | 2015-09-09 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Crystal Structure Of O-Acetylserine Sulfhydrylase From Haemophilus Influenzae In Complex With Pre-Reactive O-Acetyl Serine, Alpha-Aminoacrylate Reactionintermediate And Peptide Inhibitor At The Resolution Of 2.25A To Be Published
|
|
5G5V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5g5v by Molmil](/molmil-images/mine/5g5v) | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-038 | 分子名称: | (4AS,8AR)-4-(3-{4-[(3R)-3-HYDROXYPYRROLIDINE-1-, 1,2-ETHANEDIOL, FORMIC ACID, ... | 著者 | Singh, A.K, Brown, D.G. | 登録日 | 2016-06-06 | 公開日 | 2018-03-14 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity. J. Med. Chem., 61, 2018
|
|
5G57
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5g57 by Molmil](/molmil-images/mine/5g57) | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-001 | 分子名称: | (4~{a}~{S},8~{a}~{R})-2-cycloheptyl-4-[4-methoxy-3-[4-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ... | 著者 | Singh, A.K, Brown, D.G. | 登録日 | 2016-05-22 | 公開日 | 2017-11-29 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity. J. Med. Chem., 61, 2018
|
|