3RGR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3rgr by Molmil](/molmil-images/mine/3rgr) | |
1REP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1rep by Molmil](/molmil-images/mine/1rep) | CRYSTAL STRUCTURE OF REPLICATION INITIATOR PROTEIN REPE54 OF MINI-F PLASMID COMPLEXED WITH AN ITERON DNA | Descriptor: | DNA (5'-D(*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*T)-3'), DNA (5'-D(*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*T)-3'), MAGNESIUM ION, ... | Authors: | Komori, H, Matsunaga, F, Higuchi, Y, Ishiai, M, Wada, C, Miki, K. | Deposit date: | 1999-04-29 | Release date: | 2000-02-09 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of a prokaryotic replication initiator protein bound to DNA at 2.6 A resolution. EMBO J., 18, 1999
|
|
3MHE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3mhe by Molmil](/molmil-images/mine/3mhe) | Crystal Structure of Ketosteroid Isomerase P39A from Pseudomonas Testosteroni (tKSI) | Descriptor: | N-PROPANOL, SULFATE ION, Steroid Delta-Isomerase | Authors: | Gonzalez, A, Tsai, Y, Schwans, J, Sunden, F, Herschlag, D. | Deposit date: | 2010-04-07 | Release date: | 2011-11-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.722 Å) | Cite: | Crystal Structure of Ketosteroid Isomerase P39A from Pseudomonas Testosteroni (tKSI) To be Published
|
|
3M8C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3m8c by Molmil](/molmil-images/mine/3m8c) | Crystal Structure of Ketosteroid Isomerase D99N from Pseudomonas Testosteroni (tKSI) with Equilenin Bound | Descriptor: | EQUILENIN, GLYCEROL, SULFATE ION, ... | Authors: | Gonzalez, A, Tsai, Y, Schwans, J, Sunden, F, Herschlag, D. | Deposit date: | 2010-03-17 | Release date: | 2010-04-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of Ketosteroid Isomerase D99N from Pseudomonas Testosteroni (tKSI) with Equilenin Bound TO BE PUBLISHED
|
|
3MYT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3myt by Molmil](/molmil-images/mine/3myt) | Crystal structure of Ketosteroid Isomerase D38HD99N from Pseudomonas testosteroni (tKSI) | Descriptor: | EQUILENIN, GLYCEROL, SULFATE ION, ... | Authors: | Gonzalez, A, Tsai, Y, Schwans, J, Sunden, F, Herschlag, D. | Deposit date: | 2010-05-11 | Release date: | 2011-11-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.961 Å) | Cite: | Crystal Structure of Ketosteroid Isomerase D38HD99N from Pseudomonas Testosteroni (tKSI) To be Published
|
|
3MKI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3mki by Molmil](/molmil-images/mine/3mki) | Crystal Structure of Ketosteroid Isomerase D38ED99N from Pseudomonas Testosteroni (tKSI) | Descriptor: | GLYCEROL, SULFATE ION, Steroid Delta-Isomerase | Authors: | Gonzalez, A, Tsai, Y, Schwans, J, Sunden, F, Herschlag, D. | Deposit date: | 2010-04-14 | Release date: | 2011-11-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of Ketosteroid Isomerase D38E,D99N from Pseudomonas Testosteroni (tKSI) To be Published
|
|
3NBR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3nbr by Molmil](/molmil-images/mine/3nbr) | Crystal Structure of Ketosteroid Isomerase D38NP39GD99N from Pseudomonas Testosteroni (tKSI) with 4-Androstene-3,17-dione Bound | Descriptor: | 4-ANDROSTENE-3-17-DIONE, SULFATE ION, Steroid Delta-isomerase | Authors: | Gonzalez, A, Tsai, Y, Schwans, J, Ruben, E, Sunden, F, Herschlag, D. | Deposit date: | 2010-06-03 | Release date: | 2011-11-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Crystal Structure of Ketosteroid Isomerase D38NP39GD99N from Pseudomonas Testosteroni (tKSI) with 4-Androstene-3,17-dione Bound To be Published
|
|
3NM2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3nm2 by Molmil](/molmil-images/mine/3nm2) | Crystal Structure of Ketosteroid Isomerase D38EP39GV40GS42G from Pseudomonas Testosteroni (tKSI) | Descriptor: | SULFATE ION, Steroid Delta-isomerase | Authors: | Gonzalez, A, Tsai, Y, Schwans, J, Sunden, F, Herschlag, D. | Deposit date: | 2010-06-21 | Release date: | 2011-11-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.887 Å) | Cite: | Crystal Structure of Ketosteroid Isomerase D38EP39GV40GS42G from Pseudomonas Testosteroni (tKSI) To be Published
|
|
3NHX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3nhx by Molmil](/molmil-images/mine/3nhx) | Crystal Structure of Ketosteroid Isomerase D99N from Pseudomonas Testosteroni (tKSI) with 4-Androstene-3,17-dione Bound | Descriptor: | 4-ANDROSTENE-3-17-DIONE, SULFATE ION, Steroid Delta-isomerase | Authors: | Gonzalez, A, Tsai, Y, Schwans, J, Ruben, E, Sunden, F, Herschlag, D. | Deposit date: | 2010-06-14 | Release date: | 2011-11-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Crystal Structure of Ketosteroid Isomerase D99N from Pseudomonas Testosteroni (tKSI) with 4-Androstene-3,17-dione Bound To be Published
|
|
3NXJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3nxj by Molmil](/molmil-images/mine/3nxj) | Crystal Structure of Ketosteroid Isomerase D99N from Pseudomonas Testosteroni (tKSI) | Descriptor: | SULFATE ION, Steroid Delta-isomerase | Authors: | Gonzalez, A, Tsai, Y, Schwans, J, Sunden, F, Herschlag, D. | Deposit date: | 2010-07-13 | Release date: | 2011-08-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.966 Å) | Cite: | Crystal Structure of Ketosteroid Isomerase
D99N from Pseudomonas Testosteroni (tKSI) To be Published
|
|
4L7K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4l7k by Molmil](/molmil-images/mine/4l7k) | Crystal Structure of Ketosteroid Isomerase D38E from Pseudomonas Testosteroni (tKSI) | Descriptor: | GLYCEROL, SULFATE ION, Steroid Delta-isomerase | Authors: | Gonzalez, A, Tsai, Y, Schwans, J, Sunden, F, Herschlag, D. | Deposit date: | 2013-06-14 | Release date: | 2013-07-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Use of anion-aromatic interactions to position the general base in the ketosteroid isomerase active site. Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
3T8N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3t8n by Molmil](/molmil-images/mine/3t8n) | Crystal structure of ketosteroid isomerase Y16AD103A from Pseudomonas putida | Descriptor: | SULFATE ION, Steroid Delta-isomerase, {[-(BIS-CARBOXYMETHYL-AMINO)-ETHYL]-CARBOXYMETHYL-AMINO}-ACETIC ACID | Authors: | Gonzalez, A, Tsai, Y, Schwans, J, Sunden, F, Herschlag, D. | Deposit date: | 2011-08-01 | Release date: | 2011-11-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Evaluating the catalytic contribution from the oxyanion hole in ketosteroid isomerase. J.Am.Chem.Soc., 133, 2011
|
|
3T8U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3t8u by Molmil](/molmil-images/mine/3t8u) | Crystal structure of ketosteroid isomerase Y14AY55FD99A from Pseudomonas testosteroni | Descriptor: | SULFATE ION, Steroid Delta-isomerase | Authors: | Gonzalez, A, Tsai, Y, Schwans, J, Sunden, F, Herschlag, D. | Deposit date: | 2011-08-01 | Release date: | 2011-11-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Evaluating the catalytic contribution from the oxyanion hole in ketosteroid isomerase. J.Am.Chem.Soc., 133, 2011
|
|
3UNL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3unl by Molmil](/molmil-images/mine/3unl) | Crystal structure of ketosteroid isomerase F54G from Pseudomonas testosteroni | Descriptor: | SULFATE ION, Steroid Delta-isomerase | Authors: | Gonzalez, A, Tsai, Y, Schwans, J, Sunden, F, Herschlag, D. | Deposit date: | 2011-11-15 | Release date: | 2012-11-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Crystal structure of ketosteroid isomerase F54G from Pseudomonas testosteroni To be Published
|
|
1J4I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1j4i by Molmil](/molmil-images/mine/1j4i) | crystal structure analysis of the FKBP12 complexed with 000308 small molecule | Descriptor: | 4-METHYL-2-{[4-(TOLUENE-4-SULFONYL)-THIOMORPHOLINE-3-CARBONYL]-AMINO}-PENTANOIC ACID, FKBP12 | Authors: | Li, P, Ding, Y, Wang, L, Wu, B, Shu, C, Li, S, Shen, B, Rao, Z. | Deposit date: | 2001-09-30 | Release date: | 2003-06-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design and structure-based study of new potential FKBP12 inhibitors. Biophys.J., 85, 2003
|
|
1J4H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1j4h by Molmil](/molmil-images/mine/1j4h) | crystal structure analysis of the FKBP12 complexed with 000107 small molecule | Descriptor: | 3-PHENYL-2-{[4-(TOLUENE-4-SULFONYL)-THIOMORPHOLINE-3-CARBONYL]-AMINO}-PROPIONIC ACID ETHYL ESTER, FKBP12 | Authors: | Li, P, Ding, Y, Wang, L, Wu, B, Shu, C, Li, S, Shen, B, Rao, Z. | Deposit date: | 2001-09-30 | Release date: | 2003-06-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design and structure-based study of new potential FKBP12 inhibitors. Biophys.J., 85, 2003
|
|
4YR1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yr1 by Molmil](/molmil-images/mine/4yr1) | |
4MKC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mkc by Molmil](/molmil-images/mine/4mkc) | Crystal Structure of Anaplastic Lymphoma Kinase Complexed with LDK378 | Descriptor: | 5-chloro-N~2~-[5-methyl-4-(piperidin-4-yl)-2-(propan-2-yloxy)phenyl]-N~4~-[2-(propan-2-ylsulfonyl)phenyl]pyrimidine-2,4-diamine, ALK tyrosine kinase receptor, GLYCEROL | Authors: | Lee, C.C, Spraggon, G. | Deposit date: | 2013-09-04 | Release date: | 2014-04-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | The ALK Inhibitor Ceritinib Overcomes Crizotinib Resistance in Non-Small Cell Lung Cancer. Cancer Discov, 4, 2014
|
|
2ICJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2icj by Molmil](/molmil-images/mine/2icj) | The crystal structure of human isopentenyl diphophate isomerase | Descriptor: | Isopentenyl-diphosphate delta isomerase, MAGNESIUM ION, SULFATE ION | Authors: | Zheng, W, Bartlam, M, Rao, Z. | Deposit date: | 2006-09-12 | Release date: | 2007-03-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The crystal structure of human isopentenyl diphosphate isomerase at 1.7 A resolution reveals its catalytic mechanism in isoprenoid biosynthesis J.Mol.Biol., 366, 2007
|
|
2ICK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ick by Molmil](/molmil-images/mine/2ick) | Human isopentenyl diphophate isomerase complexed with substrate analog | Descriptor: | DIMETHYLALLYL DIPHOSPHATE, Isopentenyl-diphosphate delta isomerase, MANGANESE (II) ION | Authors: | Zheng, W, Bartlam, M, Rao, Z. | Deposit date: | 2006-09-12 | Release date: | 2007-03-20 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | The crystal structure of human isopentenyl diphosphate isomerase at 1.7 A resolution reveals its catalytic mechanism in isoprenoid biosynthesis J.Mol.Biol., 366, 2007
|
|
8WPZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8wpz by Molmil](/molmil-images/mine/8wpz) | |
6SBO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6sbo by Molmil](/molmil-images/mine/6sbo) | Estrogen receptor mutant L536S | Descriptor: | 6-(2,4-dichlorophenyl)-5-[4-[(3~{S})-1-(3-fluoranylpropyl)pyrrolidin-3-yl]oxyphenyl]-8,9-dihydro-7~{H}-benzo[7]annulene-2-carboxylic acid, Estrogen receptor | Authors: | Vallee, F, Steier, V, Rak, A. | Deposit date: | 2019-07-22 | Release date: | 2019-11-27 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Discovery of 6-(2,4-Dichlorophenyl)-5-[4-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxyphenyl]-8,9-dihydro-7H-benzo[7]annulene-2-carboxylic acid (SAR439859), a Potent and Selective Estrogen Receptor Degrader (SERD) for the Treatment of Estrogen-Receptor-Positive Breast Cancer. J.Med.Chem., 63, 2020
|
|
4YNE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yne by Molmil](/molmil-images/mine/4yne) | (R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors | Descriptor: | 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(pyridin-2-yl)imidazo[1,2-b]pyridazine, GLYCEROL, High affinity nerve growth factor receptor, ... | Authors: | Kreusch, A, Rucker, P, Molteni, V, Loren, J. | Deposit date: | 2015-03-09 | Release date: | 2015-06-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.0229 Å) | Cite: | (R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors. Acs Med.Chem.Lett., 6, 2015
|
|
4YMJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ymj by Molmil](/molmil-images/mine/4ymj) | (R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors | Descriptor: | 4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile, CHLORIDE ION, GLYCEROL, ... | Authors: | Kreusch, A, Rucker, P, Molteni, V, Loren, J. | Deposit date: | 2015-03-06 | Release date: | 2015-06-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | (R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors. Acs Med.Chem.Lett., 6, 2015
|
|
4YPS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yps by Molmil](/molmil-images/mine/4yps) | (R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors | Descriptor: | 4-{6-[(3R)-3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl}benzonitrile, High affinity nerve growth factor receptor, SULFATE ION | Authors: | Kreusch, A, Rucker, P, Molteni, V, Loren, J. | Deposit date: | 2015-03-13 | Release date: | 2015-06-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1012 Å) | Cite: | (R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors. Acs Med.Chem.Lett., 6, 2015
|
|