7T14
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7t14 by Molmil](/molmil-images/mine/7t14) | Hexameric SIVmac CA | 分子名称: | Capsid protein p24 | 著者 | Jacques, D.A, James, L.C. | 登録日 | 2021-12-01 | 公開日 | 2022-10-19 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Evasion of cGAS and TRIM5 defines pandemic HIV. Nat Microbiol, 7, 2022
|
|
4EVW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4evw by Molmil](/molmil-images/mine/4evw) | Crystal Structure of the nucleoside-diphosphate-sugar pyrophosphorylase from Vibrio cholerae RC9. Northeast Structural Genomics Consortium (NESG) Target VcR193. | 分子名称: | MAGNESIUM ION, Nucleoside-diphosphate-sugar pyrophosphorylase | 著者 | Vorobiev, S, Neely, H, Su, M, Seetharaman, J, Mao, M, Xiao, R, Kohan, E, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2012-04-26 | 公開日 | 2012-05-23 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal Structure of the nucleoside-diphosphate-sugar pyrophosphorylase from Vibrio cholerae RC9. To be Published
|
|
4N0B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4n0b by Molmil](/molmil-images/mine/4n0b) | Crystal structure of Bacillus subtilis GabR, an autorepressor and transcriptional activator of GabT | 分子名称: | ACETYL GROUP, CALCIUM ION, HTH-type transcriptional regulatory protein GabR, ... | 著者 | Edayathumangalam, R, Wu, R, Garcia, R, Wang, Y, Wang, W, Kreinbring, C.A, Bach, A, Liao, J, Stone, T, Terwilliger, T, Hoang, Q.Q, Belitsky, B.R, Petsko, G.A, Ringe, D, Liu, D. | 登録日 | 2013-10-01 | 公開日 | 2013-10-30 | 最終更新日 | 2014-04-02 | 実験手法 | X-RAY DIFFRACTION (2.705 Å) | 主引用文献 | Crystal structure of Bacillus subtilis GabR, an autorepressor and transcriptional activator of gabT. Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
4N2A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4n2a by Molmil](/molmil-images/mine/4n2a) | Crystal structure of Protein Arginine Deiminase 2 (5 mM Ca2+) | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ... | 著者 | Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R. | 登録日 | 2013-10-04 | 公開日 | 2015-02-04 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design. Acs Chem.Biol., 10, 2015
|
|
4N2E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4n2e by Molmil](/molmil-images/mine/4n2e) | Crystal structure of Protein Arginine Deiminase 2 (D123N, 10 mM Ca2+) | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Protein-arginine deiminase type-2 | 著者 | Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R. | 登録日 | 2013-10-04 | 公開日 | 2015-02-04 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.858 Å) | 主引用文献 | Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design. Acs Chem.Biol., 10, 2015
|
|
4NA4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4na4 by Molmil](/molmil-images/mine/4na4) | Crystal structure of mouse poly(ADP-ribose) glycohydrolase (PARG) catalytic domain with ADP-HPD | 分子名称: | 5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-DIHYDROXYPYRROLIDIN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]ADENOSINE, IODIDE ION, Poly(ADP-ribose) glycohydrolase | 著者 | Wang, Z, Cheng, Z, Xu, W. | 登録日 | 2013-10-21 | 公開日 | 2014-01-29 | 最終更新日 | 2014-09-24 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystallographic and biochemical analysis of the mouse poly(ADP-ribose) glycohydrolase. Plos One, 9, 2014
|
|
7AB2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ab2 by Molmil](/molmil-images/mine/7ab2) | Crystal structure of MerTK kinase domain in complex with UNC2025 | 分子名称: | 4-[2-(butylamino)-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Overman, R.C, Rawlins, P.B, Truman, C, Underwood, E, Warwicker, J, Winter-Holt, J. | 登録日 | 2020-09-05 | 公開日 | 2020-10-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | A-loop interactions in Mer tyrosine kinase give rise to inhibitors with two-step mechanism and long residence time of binding. Biochem.J., 477, 2020
|
|
7AB1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ab1 by Molmil](/molmil-images/mine/7ab1) | Crystal structure of MerTK kinase domain in complex with Gilteritinib | 分子名称: | 6-ethyl-3-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Overman, R.C, Rawlins, P.B, Truman, C, Underwood, E, Warwicker, J, Winter-Holt, J. | 登録日 | 2020-09-05 | 公開日 | 2020-10-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | A-loop interactions in Mer tyrosine kinase give rise to inhibitors with two-step mechanism and long residence time of binding. Biochem.J., 477, 2020
|
|
6ZUH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zuh by Molmil](/molmil-images/mine/6zuh) | Crystal Structure of Thrombin in complex with compound17 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Hirudin-2, ... | 著者 | Schafer, M. | 登録日 | 2020-07-22 | 公開日 | 2020-08-26 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Design, Synthesis, and Pharmacological Characterization of a Neutral, Non-Prodrug Thrombin Inhibitor with Good Oral Pharmacokinetics. J.Med.Chem., 63, 2020
|
|
4ETJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4etj by Molmil](/molmil-images/mine/4etj) | Crystal Structure of E6H variant of de novo designed serine hydrolase OSH55, Northeast Structural Genomics Consortium (NESG) Target OR185 | 分子名称: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, CHLORIDE ION, ... | 著者 | Kuzin, A, Su, M, Seetharaman, J, Kornhaber, K, Kornhaber, G, Rajagopalan, S, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2012-04-24 | 公開日 | 2012-06-13 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.203 Å) | 主引用文献 | Design of activated serine-containing catalytic triads with atomic-level accuracy. Nat.Chem.Biol., 10, 2014
|
|
6ZUW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zuw by Molmil](/molmil-images/mine/6zuw) | Crystal Structure of Thrombin in complex with compound40 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin-2, Prothrombin, ... | 著者 | Schafer, M. | 登録日 | 2020-07-23 | 公開日 | 2020-08-26 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Design, Synthesis, and Pharmacological Characterization of a Neutral, Non-Prodrug Thrombin Inhibitor with Good Oral Pharmacokinetics. J.Med.Chem., 63, 2020
|
|
4MOZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4moz by Molmil](/molmil-images/mine/4moz) | |
7AAC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7aac by Molmil](/molmil-images/mine/7aac) | Crystal structure of the catalytic domain of human PARP1 in complex with veliparib | 分子名称: | (2R)-2-(7-carbamoyl-1H-benzimidazol-2-yl)-2-methylpyrrolidinium, Poly [ADP-ribose] polymerase 1, SULFATE ION | 著者 | Schimpl, M, Ogden, T.E.H, Yang, J.-C, Easton, L.E, Underwood, E, Rawlins, P.B, Johannes, J.W, Embrey, K.J, Neuhaus, D. | 登録日 | 2020-09-04 | 公開日 | 2021-01-13 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.593 Å) | 主引用文献 | Dynamics of the HD regulatory subdomain of PARP-1; substrate access and allostery in PARP activation and inhibition. Nucleic Acids Res., 49, 2021
|
|
4MTN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mtn by Molmil](/molmil-images/mine/4mtn) | |
4N25
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4n25 by Molmil](/molmil-images/mine/4n25) | Crystal structure of Protein Arginine Deiminase 2 (250 uM Ca2+) | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ... | 著者 | Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R. | 登録日 | 2013-10-04 | 公開日 | 2015-02-04 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.931 Å) | 主引用文献 | Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design. Acs Chem.Biol., 10, 2015
|
|
4N2N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4n2n by Molmil](/molmil-images/mine/4n2n) | Crystal structure of Protein Arginine Deiminase 2 (E354A, 10 mM Ca2+) | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ... | 著者 | Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R. | 登録日 | 2013-10-05 | 公開日 | 2015-02-04 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design. Acs Chem.Biol., 10, 2015
|
|
7OGC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ogc by Molmil](/molmil-images/mine/7ogc) | GTPase HRAS under 650 MPa pressure | 分子名称: | GTPase HRas, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ... | 著者 | Colloc'h, N.C, Girard, E, Prange, T, Kalbitzer, H.R. | 登録日 | 2021-05-06 | 公開日 | 2022-02-09 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Equilibria between conformational states of the Ras oncogene protein revealed by high pressure crystallography. Chem Sci, 13, 2022
|
|
7OGA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7oga by Molmil](/molmil-images/mine/7oga) | GTPase HRAS under 200 MPa pressure | 分子名称: | GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | 著者 | Colloc'h, N.C, Kalbitzer, H.R, Girard, E, Prange, T. | 登録日 | 2021-05-06 | 公開日 | 2022-02-09 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Equilibria between conformational states of the Ras oncogene protein revealed by high pressure crystallography. Chem Sci, 13, 2022
|
|
7OGD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ogd by Molmil](/molmil-images/mine/7ogd) | GTPase HRAS mutant D33K under ambient pressure | 分子名称: | GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | 著者 | Colloc'h, N.C, Girard, E, Prange, T, Kalbitzer, H.R. | 登録日 | 2021-05-06 | 公開日 | 2022-02-09 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Equilibria between conformational states of the Ras oncogene protein revealed by high pressure crystallography. Chem Sci, 13, 2022
|
|
4KS9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ks9 by Molmil](/molmil-images/mine/4ks9) | Crystal Structure of Malonyl-CoA decarboxylase (Rmet_2797) from Cupriavidus metallidurans, Northeast Structural Genomics Consortium Target CrR76 | 分子名称: | MAGNESIUM ION, Malonyl-CoA decarboxylase | 著者 | Forouhar, F, Tran, T.H, Lew, S, Seetharaman, J, Xiao, R, Acton, T.B, Everett, J.K, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2013-05-17 | 公開日 | 2013-06-19 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal structures of malonyl-coenzyme a decarboxylase provide insights into its catalytic mechanism and disease-causing mutations. Structure, 21, 2013
|
|
4K39
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4k39 by Molmil](/molmil-images/mine/4k39) | Native anSMEcpe with bound AdoMet and Cp18Cys peptide | 分子名称: | Anaerobic sulfatase-maturating enzyme, CHLORIDE ION, Cp18Cys peptide, ... | 著者 | Goldman, P.J, Drennan, C.L. | 登録日 | 2013-04-10 | 公開日 | 2013-05-08 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.783 Å) | 主引用文献 | X-ray structure of an AdoMet radical activase reveals an anaerobic solution for formylglycine posttranslational modification. Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
4K7G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4k7g by Molmil](/molmil-images/mine/4k7g) | Crystal structure of a 3-hydroxyproline dehydratse from agrobacterium vitis, target efi-506470, with bound pyrrole 2-carboxylate, ordered active site | 分子名称: | 3-hydroxyproline dehydratse, ACETATE ION, CITRIC ACID, ... | 著者 | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | 登録日 | 2013-04-17 | 公開日 | 2013-05-01 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structure of a 3-hydroxyproline dehydratse from agrobacterium vitis, target efi-506470, with bound pyrrole 2-carboxylate, ordered active site To be Published
|
|
4KF6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4kf6 by Molmil](/molmil-images/mine/4kf6) | Crystal structure of human ceramide-1-phosphate transfer protein (CPTP) in complex with 8:0 Ceramide-1-Phosphate (8:0-C1P) | 分子名称: | (2S,3R,4E)-3-hydroxy-2-(octanoylamino)octadec-4-en-1-yl dihydrogen phosphate, Glycolipid transfer protein domain-containing protein 1 | 著者 | Simanshu, D.K, Brown, R.E, Patel, D.J. | 登録日 | 2013-04-26 | 公開日 | 2013-07-17 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3.195 Å) | 主引用文献 | Non-vesicular trafficking by a ceramide-1-phosphate transfer protein regulates eicosanoids. Nature, 500, 2013
|
|
4KEV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4kev by Molmil](/molmil-images/mine/4kev) | Crystal structure of SsoPox W263L | 分子名称: | Aryldialkylphosphatase, COBALT (II) ION, FE (II) ION | 著者 | Gotthard, G, Hiblot, J, Chabriere, E, Elias, M. | 登録日 | 2013-04-26 | 公開日 | 2013-10-02 | 最終更新日 | 2013-11-20 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Differential Active Site Loop Conformations Mediate Promiscuous Activities in the Lactonase SsoPox. Plos One, 8, 2013
|
|
4KPP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4kpp by Molmil](/molmil-images/mine/4kpp) | Crystal Structure of H+/Ca2+ Exchanger CAX | 分子名称: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CALCIUM ION, OLEIC ACID, ... | 著者 | Nishizawa, T, Ishitani, R, Nureki, O. | 登録日 | 2013-05-14 | 公開日 | 2013-06-26 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural basis for the counter-transport mechanism of a H+/Ca2+ exchanger. Science, 341, 2013
|
|