6B95
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6b95 by Molmil](/molmil-images/mine/6b95) | Multiconformer model of K197C PTP1B tethered to compound 2 at 100 K | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-(2',4'-difluoro-4-hydroxy[1,1'-biphenyl]-3-yl)-2-sulfanylacetamide, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | 登録日 | 2017-10-10 | 公開日 | 2018-06-20 | 最終更新日 | 2022-03-23 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering. Elife, 7, 2018
|
|
1RDP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1rdp by Molmil](/molmil-images/mine/1rdp) | Cholera Toxin B-Pentamer Complexed With Bivalent Nitrophenol-Galactoside Ligand BV3 | 分子名称: | 1,3-BIS-([[3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-BENZOYLAMINO]-PROPYL}-PIPERAZIN-1-YL)-PROPYLAMINO-3,4-DIOXO-CYCLOBU TENYL]-AMINO-ETHYL]-AMINO-CARBONYLOXY)-2-AMINO-PROPANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, TRIETHYLENE GLYCOL, ... | 著者 | Pickens, J.C, Mitchell, D.D, Liu, J, Tan, X, Zhang, Z, Verlinde, C.L, Hol, W.G, Fan, E. | 登録日 | 2003-11-05 | 公開日 | 2004-10-26 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Nonspanning bivalent ligands as improved surface receptor binding inhibitors of the cholera toxin B pentamer. Chem.Biol., 11, 2004
|
|
1RF2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1rf2 by Molmil](/molmil-images/mine/1rf2) | Cholera Toxin B-Pentamer Complexed With Bivalent Nitrophenol-Galactoside Ligand BV4 | 分子名称: | 1,3-BIS-([3-[3-[3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-BENZOYLAMINO]-PROPYL}-PIPERAZIN-1-YL)-PROPYLAMINO-3,4-DIOXO-CYCLOBUTENYL]-AMINO-PROPOXY-ETHOXY-ETHOXY]-PROPYL-]AMINO-CARBONYLOXY)-2-AMINO-PROPANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, TRIETHYLENE GLYCOL, ... | 著者 | Pickens, J.C, Mitchell, D.D, Liu, J, Tan, X, Zhang, Z, Verlinde, C.L, Hol, W.G, Fan, E. | 登録日 | 2003-11-07 | 公開日 | 2004-10-26 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Nonspanning bivalent ligands as improved surface receptor binding inhibitors of the cholera toxin B pentamer. Chem.Biol., 11, 2004
|
|
7LVH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7lvh by Molmil](/molmil-images/mine/7lvh) | CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 ISOFORM 1 COMPLEXED WITH LIGAND N-[3-METHOXY-4-(1,3-OXAZOL-5-YL)PHENYL]-3-(PROPAN-2-YL)PIPERIDINE-2-CARBOXAMIDE | 分子名称: | 5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine, AP2-associated protein kinase 1, N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-D-leucinamide, ... | 著者 | Muckelbauer, J.K. | 登録日 | 2021-02-25 | 公開日 | 2021-07-28 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Discovery, Structure-Activity Relationships, and In Vivo Evaluation of Novel Aryl Amides as Brain Penetrant Adaptor Protein 2-Associated Kinase 1 (AAK1) Inhibitors for the Treatment of Neuropathic Pain. J.Med.Chem., 64, 2021
|
|
3VST
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3vst by Molmil](/molmil-images/mine/3vst) | The complex structure of XylC with Tris | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Xylosidase | 著者 | Huang, C.H, Sun, Y, Ko, T.P, Ma, Y, Chen, C.C, Zheng, Y, Chan, H.C, Pang, X, Wiegel, J, Shao, W, Guo, R.T. | 登録日 | 2012-05-09 | 公開日 | 2013-02-27 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | The substrate/product-binding modes of a novel GH120 beta-xylosidase (XylC) from Thermoanaerobacterium saccharolyticum JW/SL-YS485 Biochem.J., 448, 2012
|
|
4DVH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dvh by Molmil](/molmil-images/mine/4dvh) | Crystal structure of Trypanosoma cruzi mitochondrial iron superoxide dismutase | 分子名称: | FE (III) ION, Superoxide dismutase | 著者 | Larrieux, N, Buschiazzo, A. | 登録日 | 2012-02-23 | 公開日 | 2013-03-27 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | 主引用文献 | Structural and Molecular Basis of the Peroxynitrite-mediated Nitration and Inactivation of Trypanosoma cruzi Iron-Superoxide Dismutases (Fe-SODs) A and B: DISPARATE SUSCEPTIBILITIES DUE TO THE REPAIR OF TYR35 RADICAL BY CYS83 IN Fe-SODB THROUGH INTRAMOLECULAR ELECTRON TRANSFER. J.Biol.Chem., 289, 2014
|
|
4LR8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4lr8 by Molmil](/molmil-images/mine/4lr8) | Phosphopentomutase S154A variant soaked with ribose 5-phosphate | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-O-phosphono-alpha-D-ribofuranose, ACETATE ION, ... | 著者 | Birmingham, W.A, Starbird, C.A, Panosian, T.D, Nannemann, D.P, Iverson, T.M, Bachmann, B.O. | 登録日 | 2013-07-19 | 公開日 | 2013-07-31 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Bioretrosynthetic construction of a didanosine biosynthetic pathway. Nat.Chem.Biol., 10, 2014
|
|
4CZW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4czw by Molmil](/molmil-images/mine/4czw) | |
5JRS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5jrs by Molmil](/molmil-images/mine/5jrs) | |
6N9P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6n9p by Molmil](/molmil-images/mine/6n9p) | |
1VZT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1vzt by Molmil](/molmil-images/mine/1vzt) | ROLES OF INDIVIDUAL RESIDUES OF ALPHA-1,3 GALACTOSYLTRANSFERASES IN SUBSTRATE BINDING AND CATALYSIS | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MANGANESE (II) ION, N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE, ... | 著者 | Zhang, Y, Swaminathan, G.J, Deshpande, A, Natesh, R, Xie, X, Acharya, K.R, Brew, K. | 登録日 | 2004-05-26 | 公開日 | 2005-05-26 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Roles of Individual Enzyme-Substrate Interactions by Alpha-1,3-Galactosyltransferase in Catalysis and Specificity. Biochemistry, 42, 2003
|
|
7G8N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7g8n by Molmil](/molmil-images/mine/7g8n) | ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1262549981 | 分子名称: | 1-anilinocyclopropane-1-carboxylic acid, DIMETHYL SULFOXIDE, FORMIC ACID, ... | 著者 | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | 登録日 | 2023-06-22 | 公開日 | 2023-07-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | 主引用文献 | ARHGEF2 PanDDA analysis group deposition To Be Published
|
|
7G83
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7g83 by Molmil](/molmil-images/mine/7g83) | ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z108545814 | 分子名称: | 3-propanamido-1-benzofuran-2-carboxamide, DIMETHYL SULFOXIDE, FORMIC ACID, ... | 著者 | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | 登録日 | 2023-06-22 | 公開日 | 2023-07-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | 主引用文献 | ARHGEF2 PanDDA analysis group deposition To Be Published
|
|
5K29
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5k29 by Molmil](/molmil-images/mine/5k29) | Trypanosoma brucei bromodomain BDF5 (Tb427tmp.01.5000) | 分子名称: | UNKNOWN ATOM OR ION, uncharacterized protein BDF5 | 著者 | Lin, Y.H, Tempel, W, Walker, J.R, Loppnau, P, Amani, M, Hou, C.F.D, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Hui, R, Structural Genomics Consortium (SGC) | 登録日 | 2016-05-18 | 公開日 | 2016-07-13 | 最終更新日 | 2016-11-02 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Trypanosoma brucei bromodomain BDF5 (Tb427tmp.01.5000) To Be Published
|
|
2OCX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ocx by Molmil](/molmil-images/mine/2ocx) | Crystal structure of Se-Met fucosyltransferase NodZ from Bradyrhizobium | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Nodulation fucosyltransferase NodZ, PHOSPHATE ION | 著者 | Brzezinski, K, Stepkowski, T, Panjikar, S, Bujacz, G, Jaskolski, M. | 登録日 | 2006-12-21 | 公開日 | 2007-11-06 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | High-resolution structure of NodZ fucosyltransferase involved in the biosynthesis of the nodulation factor. Acta Biochim.Pol., 54, 2007
|
|
4M36
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4m36 by Molmil](/molmil-images/mine/4m36) | |
4M37
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4m37 by Molmil](/molmil-images/mine/4m37) | |
4GET
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4get by Molmil](/molmil-images/mine/4get) | Crystal structure of biogenic amine binding protein from Rhodnius prolixus | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Biogenic amine-binding protein | 著者 | Andersen, J.F, Chang, B.W, Xu, X, Mans, B.J, Ribeiro, J.M. | 登録日 | 2012-08-02 | 公開日 | 2013-01-02 | 最終更新日 | 2017-11-15 | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | 主引用文献 | Structure and ligand-binding properties of the biogenic amine-binding protein from the saliva of a blood-feeding insect vector of Trypanosoma cruzi. Acta Crystallogr.,Sect.D, 69, 2013
|
|
8GRW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8grw by Molmil](/molmil-images/mine/8grw) | |
7U0R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7u0r by Molmil](/molmil-images/mine/7u0r) | Crystal structure of Methanomethylophilus alvus PylRS(N166A/V168A) complexed with meta-trifluoromethyl-2-benzylmalonate and AMP-PNP | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | 著者 | Swenson, C.V, Roe, L.T, Fricke, R.C.B, Smaga, S.S, Gee, C.L, Schepartz, A. | 登録日 | 2022-02-18 | 公開日 | 2023-06-14 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Expanding the substrate scope of pyrrolysyl-transfer RNA synthetase enzymes to include non-alpha-amino acids in vitro and in vivo. Nat.Chem., 15, 2023
|
|
6SDP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6sdp by Molmil](/molmil-images/mine/6sdp) | |
6SE2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6se2 by Molmil](/molmil-images/mine/6se2) | |
4DGK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dgk by Molmil](/molmil-images/mine/4dgk) | Crystal structure of Phytoene desaturase CRTI from Pantoea ananatis | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Phytoene dehydrogenase | 著者 | Schaub, P, Yu, Q, Gemmecker, S, Poussin-Courmontagne, P, Mailliot, J, McEwen, A.G, Ghisla, S, Beyer, P, Cavarelli, J. | 登録日 | 2012-01-26 | 公開日 | 2012-10-10 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | On the structure and function of the phytoene desaturase CRTI from Pantoea ananatis, a membrane-peripheral and FAD-dependent oxidase/isomerase. Plos One, 7, 2012
|
|
6SF9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6sf9 by Molmil](/molmil-images/mine/6sf9) | |
6SDO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6sdo by Molmil](/molmil-images/mine/6sdo) | |