1BJZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1bjz by Molmil](/molmil-images/mine/1bjz) | |
5B25
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5b25 by Molmil](/molmil-images/mine/5b25) | Crystal structure of human PDE1B with inhibitor 3 | 分子名称: | (11R,15S)-4-{[4-(6-fluoropyridin-2-yl)phenyl]methyl}-8-methyl-5-(phenylamino)-1,3,4,8,10-pentaazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one, Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, GLYCEROL, ... | 著者 | Ida, K, Lane, W, Snell, G, Sogabe, S. | 登録日 | 2016-01-07 | 公開日 | 2016-02-03 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery of Potent and Selective Inhibitors of Phosphodiesterase 1 for the Treatment of Cognitive Impairment Associated with Neurodegenerative and Neuropsychiatric Diseases J.Med.Chem., 59, 2016
|
|
3RNT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3rnt by Molmil](/molmil-images/mine/3rnt) | CRYSTAL STRUCTURE OF GUANOSINE-FREE RIBONUCLEASE T1, COMPLEXED WITH VANADATE(V), SUGGESTS CONFORMATIONAL CHANGE UPON SUBSTRATE BINDING | 分子名称: | CALCIUM ION, RIBONUCLEASE T1, VANADATE ION | 著者 | Kostrewa, D, Choe, H.-W, Heinemann, U, Saenger, W. | 登録日 | 1989-05-31 | 公開日 | 1989-10-15 | 最終更新日 | 2017-11-29 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal structure of guanosine-free ribonuclease T1, complexed with vanadate (V), suggests conformational change upon substrate binding. Biochemistry, 28, 1989
|
|
3TPI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3tpi by Molmil](/molmil-images/mine/3tpi) | THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS | 分子名称: | BOVINE PANCREATIC TRYPSIN INHIBITOR, CALCIUM ION, ISOLEUCINE, ... | 著者 | Huber, R, Bode, W, Deisenhofer, J, Schwager, P. | 登録日 | 1982-09-27 | 公開日 | 1983-01-18 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | The Geometry of the Reactive Site and of the Peptide Groups in Trypsin, Trypsinogen and its Complexes with Inhibitors Acta Crystallogr.,Sect.B, 39, 1983
|
|
3K3N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3k3n by Molmil](/molmil-images/mine/3k3n) | Crystal structure of the catalytic core domain of human PHF8 | 分子名称: | FE (II) ION, PHD finger protein 8 | 著者 | Yu, L, Wang, Y, Huang, S, Wang, J, Deng, Z, Wu, W, Gong, W, Chen, Z. | 登録日 | 2009-10-03 | 公開日 | 2010-01-19 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural insights into a novel histone demethylase PHF8 Cell Res., 20, 2010
|
|
5DFP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5dfp by Molmil](/molmil-images/mine/5dfp) | Crystal structure of PAK1 in complex with an inhibitor compound FRAX1036 | 分子名称: | 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-ethyl-2-{[2-(1-methylpiperidin-4-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, DIMETHYL SULFOXIDE, Serine/threonine-protein kinase PAK 1 | 著者 | Maksimoska, J, Marmorstein, R, Wang, W. | 登録日 | 2015-08-27 | 公開日 | 2016-01-27 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Design of Selective PAK1 Inhibitor G-5555: Improving Properties by Employing an Unorthodox Low-pK a Polar Moiety. Acs Med.Chem.Lett., 6, 2015
|
|
5DEY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5dey by Molmil](/molmil-images/mine/5dey) | Crystal structure of PAK1 in complex with an inhibitor compound G-5555 | 分子名称: | 8-[(trans-5-amino-1,3-dioxan-2-yl)methyl]-6-[2-chloro-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Serine/threonine-protein kinase PAK 1 | 著者 | Oh, A, Tam, C, Wang, W. | 登録日 | 2015-08-26 | 公開日 | 2016-01-27 | 最終更新日 | 2016-06-01 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Design of Selective PAK1 Inhibitor G-5555: Improving Properties by Employing an Unorthodox Low-pK a Polar Moiety. Acs Med.Chem.Lett., 6, 2015
|
|
2WBD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2wbd by Molmil](/molmil-images/mine/2wbd) | FRUCTOSE-1,6-BISPHOSPHATASE(D-FRUCTOSE-1,6-BISPHOSPHATE-1- PHOSPHOHYDROLASE) (E.C.3.1.3.11) COMPLEXED WITH AN AMP SITE INHIBITOR | 分子名称: | FRUCTOSE-1,6-BISPHOSPHATASE 1, N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3-ethylbenzenesulfonamide | 著者 | Ruf, A, Joseph, C, Benz, J, Fol, B, Tetaz, T, Kitas, E, Mohr, P, Kuhn, B, Wessel, H.P, Hebeisen, P, Haap, W, Huber, W, Alvarez Sanchez, R, Paehler, A, Bernadeau, A, Gubler, M, Schott, B, Tozzo, E. | 登録日 | 2009-02-26 | 公開日 | 2009-12-22 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Sulfonylureido Thiazoles as Fructose-1,6-Bisphosphatase Inhibitors for the Treatment of Type-2 Diabetes. Bioorg.Med.Chem.Lett., 20, 2010
|
|
1RNT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1rnt by Molmil](/molmil-images/mine/1rnt) | RESTRAINED LEAST-SQUARES REFINEMENT OF THE CRYSTAL STRUCTURE OF THE RIBONUCLEASE T1(ASTERISK)2(PRIME)-GUANYLIC ACID COMPLEX AT 1.9 ANGSTROMS RESOLUTION | 分子名称: | GUANOSINE-2'-MONOPHOSPHATE, RIBONUCLEASE T1 ISOZYME | 著者 | Saenger, W, Arni, R, Heinemann, U, Tokuoka, R. | 登録日 | 1987-07-10 | 公開日 | 1987-10-16 | 最終更新日 | 2017-11-29 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Restrained Least-Squares Refinement of the Crystal Structure of the Ribonuclease T1(Asterisk)2(Prime)-Guanylic Acid Complex at 1.9 Angstroms Resolution Acta Crystallogr.,Sect.B, 43, 1987
|
|
4Z0C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4z0c by Molmil](/molmil-images/mine/4z0c) | Crystal structure of TLR13-ssRNA13 complex | 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, DNA (5'-R(P*AP*CP*GP*GP*AP*AP*AP*GP*AP*CP*CP*CP*C)-3'), ... | 著者 | Song, W, Han, Z, Chai, J. | 登録日 | 2015-03-26 | 公開日 | 2015-10-07 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural basis for specific recognition of single-stranded RNA by Toll-like receptor 13 Nat.Struct.Mol.Biol., 22, 2015
|
|
2ANM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2anm by Molmil](/molmil-images/mine/2anm) | Ternary complex of an orally active thrombin inhibitor with human thrombin and a c-terminal hirudin derived exo-sit inhibitor | 分子名称: | 2-((R)-1-((S)-2-(N-(6-CARBAMIMIDOYLPYRIDIN-3-YL)METHYLCARBAMOYL)-2H-PYRROL-1(5H)-YL)-3-CYCLOHEXYL-1-OXOPROPAN-2-YLAMINO)ACETIC ACID, thrombin | 著者 | Lange, U.E.W, Baucke, D, Hornberger, W, Mack, H, Seitz, W, Hoeffken, H.W. | 登録日 | 2005-08-11 | 公開日 | 2006-06-13 | 最終更新日 | 2017-10-11 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Orally active thrombin inhibitors. Part 2: optimization of the P2-moiety Bioorg.Med.Chem.Lett., 16, 2006
|
|
1TBQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1tbq by Molmil](/molmil-images/mine/1tbq) | |
1TBR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1tbr by Molmil](/molmil-images/mine/1tbr) | |
3JZ3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3jz3 by Molmil](/molmil-images/mine/3jz3) | Structure of the cytoplasmic segment of histidine kinase QseC | 分子名称: | SULFATE ION, Sensor protein qseC | 著者 | Xie, W, Kwiatkowski, W, Choe, S, Center for Structures of Membrane Proteins (CSMP) | 登録日 | 2009-09-22 | 公開日 | 2010-07-21 | 最終更新日 | 2012-04-04 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structure of the Cytoplasmic Segment of Histidine Kinase Receptor QseC, a Key Player in Bacterial Virulence. Protein Pept.Lett., 17, 2010
|
|
2WBB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2wbb by Molmil](/molmil-images/mine/2wbb) | FRUCTOSE-1,6-BISPHOSPHATASE(D-FRUCTOSE-1,6-BISPHOSPHATE-1- PHOSPHOHYDROLASE) (E.C.3.1.3.11) COMPLEXED WITH AN AMP SITE INHIBITOR | 分子名称: | FRUCTOSE-1,6-BISPHOSPHATASE 1, N-{[(2Z)-5-BROMO-1,3-THIAZOL-2(3H)-YLIDENE]CARBAMOYL}-4-METHYLBENZENESULFONAMIDE | 著者 | Ruf, A, Joseph, C, Benz, J, Fol, B, Tetaz, T, Kitas, E, Mohr, P, Kuhn, B, Wessel, H.P, Hebeisen, P, Haap, W, Huber, W, Alvarez Sanchez, R, Paehler, A, Bernadeau, A, Gubler, M, Schott, B, Tozzo, E. | 登録日 | 2009-02-26 | 公開日 | 2009-12-22 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | Sulfonylureido Thiazoles as Fructose-1,6-Bisphosphatase Inhibitors for the Treatment of Type-2 Diabetes. Bioorg.Med.Chem.Lett., 20, 2010
|
|
1ZD0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1zd0 by Molmil](/molmil-images/mine/1zd0) | Crystal structure of Pfu-542154 conserved hypothetical protein | 分子名称: | MAGNESIUM ION, METHANOL, UNKNOWN ATOM OR ION, ... | 著者 | Habel, J.E, Liu, Z.J, Horanyi, P.S, Florence, Q.J.T, Tempel, W, Zhou, W, Chen, L, Lee, D, Nguyen, J, Chang, S.H, Bereton, P, Izumi, M, Jenny Jr, F.E, Poole II, F.L, Shah, C, Sugar, F.J, Adams, M.W.W, Rose, J.P, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG) | 登録日 | 2005-04-13 | 公開日 | 2005-05-17 | 最終更新日 | 2017-10-11 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Crystal structure of Pfu-542154 conserved hypothetical protein To be Published
|
|
5ED9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ed9 by Molmil](/molmil-images/mine/5ed9) | Crystal structure of CC1 of mouse SUN2 | 分子名称: | SUN domain-containing protein 2 | 著者 | Nie, S, Ke, H.M, Gao, F, Ren, J.Q, Wang, M.Z, Huo, L, Gong, W.M, Feng, W. | 登録日 | 2015-10-21 | 公開日 | 2016-01-13 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.009 Å) | 主引用文献 | Coiled-Coil Domains of SUN Proteins as Intrinsic Dynamic Regulators Structure, 24, 2016
|
|
5H99
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5h99 by Molmil](/molmil-images/mine/5h99) | |
5H9I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5h9i by Molmil](/molmil-images/mine/5h9i) | Crystal structure of Geobacter metallireducens SMUG1 with xanthine | 分子名称: | BETA-MERCAPTOETHANOL, GLYCEROL, Geobacter metallireducens SMUG1, ... | 著者 | Xie, W, Cao, W, Zhang, Z, Shen, J. | 登録日 | 2015-12-28 | 公開日 | 2016-04-27 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.501 Å) | 主引用文献 | Structural Basis of Substrate Specificity in Geobacter metallireducens SMUG1 Acs Chem.Biol., 11, 2016
|
|
3K3O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3k3o by Molmil](/molmil-images/mine/3k3o) | Crystal structure of the catalytic core domain of human PHF8 complexed with alpha-ketoglutarate | 分子名称: | 2-OXOGLUTARIC ACID, FE (II) ION, PHD finger protein 8 | 著者 | Yu, L, Wang, Y, Huang, S, Wang, J, Deng, Z, Wu, W, Gong, W, Chen, Z. | 登録日 | 2009-10-03 | 公開日 | 2010-01-19 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural insights into a novel histone demethylase PHF8 Cell Res., 20, 2010
|
|
2X9K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2x9k by Molmil](/molmil-images/mine/2x9k) | Structure of a E.coli porin | 分子名称: | OUTER MEMBRANE PROTEIN G, octyl beta-D-glucopyranoside | 著者 | Korkmaz-Ozkan, F, Koster, S, Kuhlbrandt, W, Mantele, W, Yildiz, O. | 登録日 | 2010-03-21 | 公開日 | 2011-01-26 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | Correlation between the Ompg Secondary Structure and its Ph-Dependent Alterations Monitored by Ftir. J.Mol.Biol., 401, 2010
|
|
3DBQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3dbq by Molmil](/molmil-images/mine/3dbq) | Crystal structure of TTK kinase domain | 分子名称: | Dual specificity protein kinase TTK | 著者 | Wang, W, Yang, Y.T, Gao, Y.F, Zhu, S.C, Wang, F, Old, W, Xu, Q.B, Resing, K, Ahn, N, Lei, M, Liu, X.D. | 登録日 | 2008-06-02 | 公開日 | 2009-02-10 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structural and Mechanistic Insights into Mps1 Kinase Activation J.CELL.MOL.MED., 13, 2008
|
|
2NAE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2nae by Molmil](/molmil-images/mine/2nae) | |
2R9K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2r9k by Molmil](/molmil-images/mine/2r9k) | Crystal Structure of Misteltoe Lectin I in Complex with Phloretamide | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(4-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(4-hydroxyphenyl)propanamide, ... | 著者 | Meyer, A, Rypniewski, W, Celewicz, L, Erdmann, V.A, Voelter, W, Betzel, C. | 登録日 | 2007-09-13 | 公開日 | 2007-10-30 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | The mistletoe lectin I--phloretamide structure reveals a new function of plant lectins. Biochem.Biophys.Res.Commun., 364, 2007
|
|
2WIH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2wih by Molmil](/molmil-images/mine/2wih) | STRUCTURE OF CDK2-CYCLIN A WITH PHA-848125 | 分子名称: | CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, N,1,4,4-TETRAMETHYL-8-{[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO}-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE, ... | 著者 | Brasca, M.G, Amboldi, N, Ballinari, D, Cameron, A.D, Casale, E, Cervi, G, Colombo, M, Colotta, F, Croci, V, Dalessio, R, Fiorentini, F, Isacchi, A, Mercurio, C, Moretti, W, Panzeri, A, Pastori, W, Pevarello, P, Quartieri, F, Roletto, F, Traquandi, G, Vianello, P, Vulpetti, A, Ciomei, M. | 登録日 | 2009-05-13 | 公開日 | 2009-07-28 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Identification of N,1,4,4-Tetramethyl-8-{[4-(4-Methylpiperazin-1-Yl)Phenyl]Amino}-4,5-Dihydro-1H-Pyrazolo[4,3-H]Quinazoline-3-Carboxamide (Pha-848125), a Potent, Orally Available Cyclin Dependent Kinase Inhibitor. J.Med.Chem., 52, 2009
|
|