4O6X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4o6x by Molmil](/molmil-images/mine/4o6x) | |
5VRM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vrm by Molmil](/molmil-images/mine/5vrm) | CRYSTAL STRUCTURE OF THE INHA FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH AN12855, EBSI 4333. | Descriptor: | Enoyl-[acyl-carrier-protein] reductase [NADH], [[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3-oxidanyl-4-[[1-oxidanyl-6-[4-(trifluoromethyl)phenoxy]-3~{H}-2,1$l^{4}-benzoxaborol-1-yl]oxy]oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | Authors: | Abendroth, J, Edwards, T.E, Lorimer, D. | Deposit date: | 2017-05-11 | Release date: | 2018-05-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of a cofactor-independent inhibitor ofMycobacterium tuberculosisInhA. Life Sci Alliance, 1, 2018
|
|
3UCC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ucc by Molmil](/molmil-images/mine/3ucc) | Asymmetric complex of human neuron specific enolase-1-PGA/PEP | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-PHOSPHOGLYCERIC ACID, Gamma-enolase, ... | Authors: | Qin, J, Chai, G, Brewer, J, Lovelace, L, Lebioda, L. | Deposit date: | 2011-10-26 | Release date: | 2012-08-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structures of asymmetric complexes of human neuron specific enolase with resolved substrate and product and an analogous complex with two inhibitors indicate subunit interaction and inhibitor cooperativity. J.Inorg.Biochem., 111, 2012
|
|
3US6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3us6 by Molmil](/molmil-images/mine/3us6) | Crystal Structure of Histidine-containing Phosphotransfer Protein MtHPt1 from Medicago truncatula | Descriptor: | Histidine-containing Phosphotransfer Protein type 1, MtHPt1 | Authors: | Ruszkowski, M, Brzezinski, K, Jedrzejczak, R, Dauter, M, Dauter, Z, Sikorski, M, Jaskolski, M. | Deposit date: | 2011-11-23 | Release date: | 2012-01-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.446 Å) | Cite: | Medicago truncatula histidine-containing phosphotransfer protein: Structural and biochemical insights into the cytokinin transduction pathway in plants. Febs J., 280, 2013
|
|
4O7T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4o7t by Molmil](/molmil-images/mine/4o7t) | SAICAR synthetase (Type-2) in complex with ADP, ASP and TMP | Descriptor: | ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ASPARTIC ACID, ... | Authors: | Manjunath, K, Jeyakanthan, J, Sekar, K. | Deposit date: | 2013-12-26 | Release date: | 2014-12-31 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | SAICAR synthetase (Type-2) in complex with ADP, ASP and TMP To be Published
|
|
4OT8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ot8 by Molmil](/molmil-images/mine/4ot8) | |
5VSV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vsv by Molmil](/molmil-images/mine/5vsv) | Crystal Structure of Inosine 5'-monophosphate Dehydrogenase from Clostridium perfringens Complexed with IMP and P225 | Descriptor: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase, {2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenoxy}acetic acid | Authors: | Maltseva, N, Kim, Y, Mulligan, R, Makowska-Grzyska, M, Gu, M, Gollapalli, D.R, Hedstrom, L, Joachimiak, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-05-12 | Release date: | 2017-05-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.205 Å) | Cite: | Crystal Structure of Inosine 5'-monophosphate Dehydrogenase from
Clostridium perfringens
Complexed with IMP and P225 To Be Published
|
|
4FC0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4fc0 by Molmil](/molmil-images/mine/4fc0) | Crystal Structure of Human Kinase Domain of B-raf with a DFG-out Inhibitor | Descriptor: | 2-chloro-3-[(2-cyanopropan-2-yl)oxy]-N-{5-[{2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}(methyl)amino]-2-fluorophenyl}benzamide, Serine/threonine-protein kinase B-raf | Authors: | Yano, J.K, Aertgeerts, K. | Deposit date: | 2012-05-23 | Release date: | 2014-01-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Design and synthesis of novel DFG-out RAF/vascular endothelial growth factor receptor 2 (VEGFR2) inhibitors: 3. Evaluation of 5-amino-linked thiazolo[5,4-d]pyrimidine and thiazolo[5,4-b]pyridine derivatives. Bioorg.Med.Chem., 20, 2012
|
|
6QQH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qqh by Molmil](/molmil-images/mine/6qqh) | |
5VVX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vvx by Molmil](/molmil-images/mine/5vvx) | Structural Investigations of the Substrate Specificity of Human O-GlcNAcase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Lamin B1, Protein O-GlcNAcase | Authors: | Li, B, Jiang, J, Li, H, Hu, C.-W. | Deposit date: | 2017-05-21 | Release date: | 2017-09-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural insights into the substrate binding adaptability and specificity of human O-GlcNAcase. Nat Commun, 8, 2017
|
|
4OCM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ocm by Molmil](/molmil-images/mine/4ocm) | |
4FED
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4fed by Molmil](/molmil-images/mine/4fed) | Crystal Structure of Htt36Q3H | Descriptor: | CALCIUM ION, Maltose-binding periplasmic protein,Huntingtin, ZINC ION | Authors: | Kim, M. | Deposit date: | 2012-05-30 | Release date: | 2013-03-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.807 Å) | Cite: | Beta conformation of polyglutamine track revealed by a crystal structure of Huntingtin N-terminal region with insertion of three histidine residues. Prion, 7, 2013
|
|
5VJ9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vj9 by Molmil](/molmil-images/mine/5vj9) | |
6DD3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dd3 by Molmil](/molmil-images/mine/6dd3) | Crystal structure of the double mutant (D52N/D407A) of NT5C2-537X in the active state | Descriptor: | Cytosolic purine 5'-nucleotidase, GLYCEROL, PHOSPHATE ION | Authors: | Forouhar, F, Dieck, C.L, Tzoneva, G, Carpenter, Z, Ambesi-Impiombato, A, Sanchez-Martin, M, Kirschner-Schwabe, R, Lew, S, Seetharaman, J, Ferrando, A.A, Tong, L. | Deposit date: | 2018-05-09 | Release date: | 2018-07-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structure and Mechanisms of NT5C2 Mutations Driving Thiopurine Resistance in Relapsed Lymphoblastic Leukemia. Cancer Cell, 34, 2018
|
|
3UPY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3upy by Molmil](/molmil-images/mine/3upy) | Crystal structure of the Brucella abortus enzyme catalyzing the first committed step of the methylerythritol 4-phosphate pathway. | Descriptor: | 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID, MAGNESIUM ION, Oxidoreductase | Authors: | Calisto, B.M, Perez-Gil, J, Fita, I, Rodriguez-Concepcion, M. | Deposit date: | 2011-11-18 | Release date: | 2012-03-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of Brucella abortus deoxyxylulose-5-phosphate reductoisomerase-like (DRL) enzyme involved in isoprenoid biosynthesis. J.Biol.Chem., 287, 2012
|
|
6DDC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ddc by Molmil](/molmil-images/mine/6ddc) | Crystal structure of the single mutant (D52N) of NT5C2-537X in the basal state, Northeast Structural Genomics Consortium Target | Descriptor: | Cytosolic purine 5'-nucleotidase, MAGNESIUM ION, PHOSPHATE ION | Authors: | Forouhar, F, Dieck, C.L, Tzoneva, G, Carpenter, Z, Ambesi-Impiombato, A, Sanchez-Martin, M, Kirschner-Schwabe, R, Lew, S, Seetharaman, J, Ferrando, A.A, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2018-05-09 | Release date: | 2018-07-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Structure and Mechanisms of NT5C2 Mutations Driving Thiopurine Resistance in Relapsed Lymphoblastic Leukemia. Cancer Cell, 34, 2018
|
|
4FGK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4fgk by Molmil](/molmil-images/mine/4fgk) | Oxidized quinone reductase 2 in complex with chloroquine | Descriptor: | (4S)-N~4~-(7-chloroquinolin-4-yl)-N~1~,N~1~-diethylpentane-1,4-diamine, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | Authors: | Leung, K.K, Shilton, B.H. | Deposit date: | 2012-06-04 | Release date: | 2013-03-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.401 Å) | Cite: | Crystal structures of quinone reductase 2 bound to antimalarial drugs reveal conformational change upon reduction J.Biol.Chem., 2013
|
|
4OGG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ogg by Molmil](/molmil-images/mine/4ogg) | |
4O6V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4o6v by Molmil](/molmil-images/mine/4o6v) | |
5VS7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vs7 by Molmil](/molmil-images/mine/5vs7) | Bromodomain of PF3D7_1475600 from Plasmodium falciparum complexed with peptide H4K5ac | Descriptor: | Bromodomain protein, putative, CHLORIDE ION, ... | Authors: | Hou, C.F.D, Loppnau, P, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, Walker, J.R, Structural Genomics Consortium (SGC) | Deposit date: | 2017-05-11 | Release date: | 2017-05-31 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Bromodomain of PF3D7_1475600 from Plasmodium falciparum complexed with peptide H4K5ac To be published
|
|
4O7R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4o7r by Molmil](/molmil-images/mine/4o7r) | |
4O84
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4o84 by Molmil](/molmil-images/mine/4o84) | |
5VPF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vpf by Molmil](/molmil-images/mine/5vpf) | Transcription factor FosB/JunD bZIP domain in complex with cognate DNA, type-II crystal | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DNA (5'-D(*CP*GP*TP*CP*GP*GP*TP*GP*AP*CP*TP*CP*AP*CP*CP*GP*AP*CP*G)-3'), ... | Authors: | Yin, Z, Rudenko, G, Machius, M. | Deposit date: | 2017-05-04 | Release date: | 2017-09-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.694 Å) | Cite: | Activator Protein-1: redox switch controlling structure and DNA-binding. Nucleic Acids Res., 45, 2017
|
|
4FN3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4fn3 by Molmil](/molmil-images/mine/4fn3) | |
4OCL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ocl by Molmil](/molmil-images/mine/4ocl) | |