6SQD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6sqd by Molmil](/molmil-images/mine/6sqd) | Crystal structure of M. tuberculosis InhA in complex with NAD+ and 2-pyrazol-1-ylbenzoic acid | Descriptor: | 2-pyrazol-1-ylbenzoic acid, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Mendes, V, Sabbah, M, Coyne, A.G, Abell, C, Blundell, T.L. | Deposit date: | 2019-09-03 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Fragment-Based Design ofMycobacterium tuberculosisInhA Inhibitors. J.Med.Chem., 63, 2020
|
|
5FYQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5fyq by Molmil](/molmil-images/mine/5fyq) | Sirt2 in complex with a 13-mer trifluoroacetylated Ran peptide | Descriptor: | NAD-DEPENDENT PROTEIN DEACETYLASE SIRTUIN-2, RAN AA 31-43, SULFATE ION, ... | Authors: | Knyphausen, P, de Boor, S, Scislowski, L, Extra, A, Baldus, L, Schacherl, M, Baumann, U, Neundorf, I, Lammers, M. | Deposit date: | 2016-03-09 | Release date: | 2016-05-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Insights Into Lysine-Deacetylation of Natively Folded Substrate Proteins by Sirtuins. J.Biol.Chem., 291, 2016
|
|
5MGD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mgd by Molmil](/molmil-images/mine/5mgd) | STRUCTURE OF E298Q-BETA-GALACTOSIDASE FROM ASPERGILLUS NIGER IN COMPLEX WITH 6-Galactosyl-lactose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Rico-Diaz, A, Ramirez-Escudero, M, Vizoso Vazquez, A, Cerdan, M.E, Becerra, M, Sanz-Aparicio, J. | Deposit date: | 2016-11-21 | Release date: | 2017-04-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural features of Aspergillus niger beta-galactosidase define its activity against glycoside linkages. FEBS J., 284, 2017
|
|
6BCC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bcc by Molmil](/molmil-images/mine/6bcc) | Joint X-ray/neutron structure of human carbonic anhydrase II in complex with ethoxzolamide | Descriptor: | 6-ethoxy-1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Kovalevsky, A, McKenna, R, Aggarwal, M. | Deposit date: | 2017-10-20 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION | Cite: | "To Be or Not to Be" Protonated: Atomic Details of Human Carbonic Anhydrase-Clinical Drug Complexes by Neutron Crystallography and Simulation. Structure, 26, 2018
|
|
3LN9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ln9 by Molmil](/molmil-images/mine/3ln9) | Crystal structure of the fibril-specific B10 antibody fragment | Descriptor: | CITRATE ANION, GLYCEROL, Immunoglobulin heavy chain antibody variable domain B10, ... | Authors: | Parthier, C, Morgado, I, Stubbs, M.T, Faendrich, M. | Deposit date: | 2010-02-02 | Release date: | 2010-12-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Amyloid Fibril Recognition with the Conformational B10 Antibody Fragment Depends on Electrostatic Interactions. J.Mol.Biol., 2010
|
|
6PNJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pnj by Molmil](/molmil-images/mine/6pnj) | Structure of Photosystem I Acclimated to Far-red Light | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | Authors: | Gisriel, C.J, Shen, G, Kurashov, V, Ho, M, Zhang, S, Williams, D, Golbeck, J.H, Fromme, P, Bryant, D.A. | Deposit date: | 2019-07-02 | Release date: | 2020-02-12 | Last modified: | 2020-02-26 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | The structure of Photosystem I acclimated to far-red light illuminates an ecologically important acclimation process in photosynthesis Sci Adv, 6, 2020
|
|
2AQW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2aqw by Molmil](/molmil-images/mine/2aqw) | Structure of putative orotidine-monophosphate-decarboxylase from Plasmodium yoelii (PY01515) | Descriptor: | IODIDE ION, SULFATE ION, putative orotidine-monophosphate-decarboxylase | Authors: | Dong, A, Vedadi, M, Wasney, G, Zhao, Y, Lew, J, Alam, Z, Melone, M, Koeieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Amani, M, Structural Genomics Consortium (SGC) | Deposit date: | 2005-08-18 | Release date: | 2005-08-30 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms. Mol.Biochem.Parasitol., 151, 2007
|
|
1IVO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ivo by Molmil](/molmil-images/mine/1ivo) | Crystal Structure of the Complex of Human Epidermal Growth Factor and Receptor Extracellular Domains. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Epidermal Growth Factor Receptor, ... | Authors: | Ogiso, H, Ishitani, R, Nureki, O, Fukai, S, Yamanaka, M, Kim, J.H, Saito, K, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2002-03-28 | Release date: | 2002-10-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Crystal Structure of the Complex of Human Epidermal Growth Factor and Receptor Extracellular Domains. Cell(Cambridge,Mass.), 110, 2002
|
|
7EIC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7eic by Molmil](/molmil-images/mine/7eic) | |
6PPU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ppu by Molmil](/molmil-images/mine/6ppu) | Cryo-EM structure of AdnAB-AMPPNP-DNA complex | Descriptor: | ATP-dependent DNA helicase (UvrD/REP), DNA (29-MER), IRON/SULFUR CLUSTER, ... | Authors: | Jia, N, Unciuleac, M, Shuman, S, Patel, D.J. | Deposit date: | 2019-07-08 | Release date: | 2019-11-20 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structures and single-molecule analysis of bacterial motor nuclease AdnAB illuminate the mechanism of DNA double-strand break resection. Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
7EID
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7eid by Molmil](/molmil-images/mine/7eid) | |
6BC9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bc9 by Molmil](/molmil-images/mine/6bc9) | Joint X-ray/neutron structure of human carbonic anhydrase II in complex with dorzolamide | Descriptor: | (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE, Carbonic anhydrase 2, ZINC ION | Authors: | Kovalevsky, A, McKenna, R, Aggarwal, M. | Deposit date: | 2017-10-20 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION | Cite: | "To Be or Not to Be" Protonated: Atomic Details of Human Carbonic Anhydrase-Clinical Drug Complexes by Neutron Crystallography and Simulation. Structure, 26, 2018
|
|
6F77
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6f77 by Molmil](/molmil-images/mine/6f77) | Crystal structure of the prephenate aminotransferase from Rhizobium meliloti | Descriptor: | Aspartate aminotransferase A, PYRIDOXAL-5'-PHOSPHATE | Authors: | Cobessi, D, Giustini, C, Graindorge, M, Matringe, M. | Deposit date: | 2017-12-07 | Release date: | 2019-03-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.794 Å) | Cite: | Tyrosine metabolism: identification of a key residue in the acquisition of prephenate aminotransferase activity by 1 beta aspartate aminotransferase. Febs J., 286, 2019
|
|
5MQT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mqt by Molmil](/molmil-images/mine/5mqt) | Crystal structure of dCK mutant C3S in complex with imatinib and UDP | Descriptor: | 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, Deoxycytidine kinase, ... | Authors: | Saez-Ayala, M, Rebuffet, E, Hammam, K, Gros, L, Lopez, S, Hajem, B, Humbert, M, Baudelet, E, Audebert, S, Betzi, S, Lugari, A, Combes, S, Pez, D, Letard, S, Mansfield, C, Moussy, A, de Sepulveda, P, Morelli, X, Dubreuil, P. | Deposit date: | 2016-12-20 | Release date: | 2017-11-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Dual protein kinase and nucleoside kinase modulators for rationally designed polypharmacology. Nat Commun, 8, 2017
|
|
2AV4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2av4 by Molmil](/molmil-images/mine/2av4) | Crystal structure of Plasmodium yoelii thioredoxin-like protein 4A (DIM1) | Descriptor: | CHLORIDE ION, Thioredoxin-like protein 4A (DIM1) | Authors: | Dong, A, Zhao, Y, Lew, J, Alam, Z, Melone, M, Wasney, G, Vedadi, M, Koeieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Artz, J, Structural Genomics Consortium (SGC) | Deposit date: | 2005-08-29 | Release date: | 2005-09-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms. Mol.Biochem.Parasitol., 151, 2007
|
|
5Y1B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5y1b by Molmil](/molmil-images/mine/5y1b) | Crystal Structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 complexed with a berberine derivative (SYSU-00679) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 9-O-3'-quinolinium propylberberine, Beta-hexosaminidase | Authors: | Duan, Y.W, Liu, T, Zhou, Y, Tang, J.Y, Li, M, Yang, Q. | Deposit date: | 2017-07-20 | Release date: | 2018-01-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.207 Å) | Cite: | Glycoside hydrolase family 18 and 20 enzymes are novel targets of the traditional medicine berberine. J. Biol. Chem., 293, 2018
|
|
5MTY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mty by Molmil](/molmil-images/mine/5mty) | Dibenzosuberone inhibitor 8e in complex with p38 MAPK | Descriptor: | Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside, ~{N}-[2,4-bis(fluoranyl)-5-[[14-(2-hydroxyethylcarbamoyl)-2-oxidanylidene-6-tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]amino]phenyl]thiophene-2-carboxamide | Authors: | Buehrmann, M, Rauh, D. | Deposit date: | 2017-01-11 | Release date: | 2017-09-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Design, Synthesis, and Biological Evaluation of Novel Type I(1)/2 p38 alpha MAP Kinase Inhibitors with Excellent Selectivity, High Potency, and Prolonged Target Residence Time by Interfering with the R-Spine. J. Med. Chem., 60, 2017
|
|
7AW0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7aw0 by Molmil](/molmil-images/mine/7aw0) | MerTK kinase domain in complex with purine inhibitor | Descriptor: | 2-(cyclopentyloxy)-9-(2,6-difluorobenzyl)-N-methyl-9H-purin-6-amine, Tyrosine-protein kinase Mer | Authors: | Schimpl, M, Nissink, J.W.M, Blackett, C, Clarke, M, Disch, J, Goldberg, K, Guilinger, J, Hennessy, E.J, Jetson, R, Ginkunja, D, Hardaker, E, Keefe, A, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S, Zhang, Y. | Deposit date: | 2020-11-06 | Release date: | 2021-03-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.893 Å) | Cite: | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy. J.Med.Chem., 64, 2021
|
|
3LKD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3lkd by Molmil](/molmil-images/mine/3lkd) | Crystal Structure of the type I restriction-modification system methyltransferase subunit from Streptococcus thermophilus, Northeast Structural Genomics Consortium Target SuR80 | Descriptor: | Type I restriction-modification system methyltransferase subunit | Authors: | Vorobiev, S, Su, M, Seetharaman, J, Mao, M, Xiao, R, Foote, E.L, Ciccosanti, C, Wang, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2010-01-27 | Release date: | 2010-02-09 | Last modified: | 2019-07-17 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Northeast Structural Genomics Consortium Target SuR80 To be published
|
|
1WJF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1wjf by Molmil](/molmil-images/mine/1wjf) | SOLUTION STRUCTURE OF H12C MUTANT OF THE N-TERMINAL ZN BINDING DOMAIN OF HIV-1 INTEGRASE COMPLEXED TO CADMIUM, NMR, 40 STRUCTURES | Descriptor: | CADMIUM ION, HIV-1 INTEGRASE | Authors: | Cai, M, Gronenborn, A.M, Clore, G.M. | Deposit date: | 1998-06-11 | Release date: | 1998-12-16 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure of the His12 --> Cys mutant of the N-terminal zinc binding domain of HIV-1 integrase complexed to cadmium. Protein Sci., 7, 1998
|
|
5Y2Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5y2y by Molmil](/molmil-images/mine/5y2y) | Crystal structure of HaloTag (M175C) complexed with dansyl-PEG2-HaloTag ligand | Descriptor: | 5-(dimethylamino)-~{N}-[2-(2-hexoxyethoxy)ethyl]naphthalene-1-sulfonamide, CHLORIDE ION, Haloalkane dehalogenase | Authors: | Lee, H, Kang, M, Rhee, H, Lee, C. | Deposit date: | 2017-07-27 | Release date: | 2017-09-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Structure-guided synthesis of a protein-based fluorescent sensor for alkyl halides Chem. Commun. (Camb.), 53, 2017
|
|
7EIE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7eie by Molmil](/molmil-images/mine/7eie) | Crystal structure of YEATS2 YEATS domain | Descriptor: | GLYCEROL, YEATS domain-containing protein 2 | Authors: | Kikuchi, M, Umehara, T. | Deposit date: | 2021-03-30 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Elucidation of binding preferences of YEATS domains to site-specific acetylated nucleosome core particles. J.Biol.Chem., 298, 2022
|
|
5MPW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mpw by Molmil](/molmil-images/mine/5mpw) | Crystal structure of Arabidopsis thaliana RNA editing factor MORF1 | Descriptor: | BROMIDE ION, Multiple organellar RNA editing factor 1, mitochondrial, ... | Authors: | Haag, S, Schindler, M, Berndt, L, Brennicke, A, Takenaka, M, Weber, G. | Deposit date: | 2016-12-19 | Release date: | 2017-02-22 | Last modified: | 2017-12-27 | Method: | X-RAY DIFFRACTION (1.499 Å) | Cite: | Crystal structures of the Arabidopsis thaliana organellar RNA editing factors MORF1 and MORF9. Nucleic Acids Res., 45, 2017
|
|
7PFX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pfx by Molmil](/molmil-images/mine/7pfx) | |
7PEW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pew by Molmil](/molmil-images/mine/7pew) | |